Daily Papers

With the power of large language models (LLMs), open-ended embodied agents can flexibly understand human instructions, generate interpretable guidance strategies, and output executable actions. Nowadays, Multi-modal Language Models~(MLMs) integrate multi-modal signals into LLMs, further bringing richer perception to entity agents and allowing embodied agents to perceive world-understanding tasks more delicately. However, existing works: 1) operate independently by agents, each containing multiple LLMs, from perception to action, resulting in gaps between complex tasks and execution; 2) train MLMs on static data, struggling with dynamics in open-ended scenarios; 3) input prior knowledge directly as prompts, suppressing application flexibility. We propose STEVE-2, a hierarchical knowledge distillation framework for open-ended embodied tasks, characterized by 1) a hierarchical system for multi-granular task division, 2) a mirrored distillation method for parallel simulation data, and 3) an extra expert model for bringing additional knowledge into parallel simulation. After distillation, embodied agents can complete complex, open-ended tasks without additional expert guidance, utilizing the performance and knowledge of a versatile MLM. Extensive evaluations on navigation and creation tasks highlight the superior performance of STEVE-2 in open-ended tasks, with 1.4 times - 7.3 times in performance.

We present the data release and data reduction process for the Epoch 1 NIRCam observations for the Cosmic Evolution Early Release Science Survey (CEERS). These data consist of NIRCam imaging in six broadband filters (F115W, F150W, F200W, F277W, F356W and F444W) and one medium band filter (F410M) over four pointings, obtained in parallel with primary CEERS MIRI observations (Yang et al. in prep). We reduced the NIRCam imaging with the JWST Calibration Pipeline, with custom modifications and reduction steps designed to address additional features and challenges with the data. Here we provide a detailed description of each step in our reduction and a discussion of future expected improvements. Our reduction process includes corrections for known pre-launch issues such as 1/f noise, as well as in-flight issues including snowballs, wisps, and astrometric alignment. Many of our custom reduction processes were first developed with pre-launch simulated NIRCam imaging over the full 10 CEERS NIRCam pointings. We present a description of the creation and reduction of this simulated dataset in the Appendix. We provide mosaics of the real images in a public release, as well as our reduction scripts with detailed explanations to allow users to reproduce our final data products. These represent one of the first official public datasets released from the Directors Discretionary Early Release Science (DD-ERS) program.

Recent years have seen a surge in deep learning approaches to accelerate numerical solvers, which provide faithful but computationally intensive simulations of the physical world. These deep surrogates are generally trained in a supervised manner from limited amounts of data slowly generated by the same solver they intend to accelerate. We propose an open-source framework that enables the online training of these models from a large ensemble run of simulations. It leverages multiple levels of parallelism to generate rich datasets. The framework avoids I/O bottlenecks and storage issues by directly streaming the generated data. A training reservoir mitigates the inherent bias of streaming while maximizing GPU throughput. Experiment on training a fully connected network as a surrogate for the heat equation shows the proposed approach enables training on 8TB of data in 2 hours with an accuracy improved by 47% and a batch throughput multiplied by 13 compared to a traditional offline procedure.

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Recent studies on loss scaling have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops of computation. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer dedicated to open science. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of 38.38%, 36.14%, and 31.96%, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved 100% weak scaling efficiency on 1024 and 3072 MI250X GPUs, respectively. We also achieved strong scaling efficiencies of 89% and 87% for these two models.

Scaling long-context ability is essential for Large Language Models (LLMs). To amortize the memory consumption across multiple devices in long-context training, inter-data partitioning (a.k.a. Data Parallelism) and intra-data partitioning (a.k.a. Context Parallelism) are commonly used. Current training frameworks predominantly treat the two techniques as orthogonal, and establish static communication groups to organize the devices as a static mesh (e.g., a 2D mesh). However, the sequences for LLM training typically vary in lengths, no matter for texts, multi-modalities or reinforcement learning. The mismatch between data heterogeneity and static mesh causes redundant communication and imbalanced computation, degrading the training efficiency. In this work, we introduce ByteScale, an efficient, flexible, and scalable LLM training framework for large-scale mixed training of long and short sequences. The core of ByteScale is a novel parallelism strategy, namely Hybrid Data Parallelism (HDP), which unifies the inter- and intra-data partitioning with a dynamic mesh design. In particular, we build a communication optimizer, which eliminates the redundant communication for short sequences by data-aware sharding and dynamic communication, and further compresses the communication cost for long sequences by selective offloading. Besides, we also develop a balance scheduler to mitigate the imbalanced computation by parallelism-aware data assignment. We evaluate ByteScale with the model sizes ranging from 7B to 141B, context lengths from 256K to 2048K, on a production cluster with more than 12,000 GPUs. Experiment results show that ByteScale outperforms the state-of-the-art training system by up to 7.89x.

In this study, we present a novel dataset for training machine learning models translating between OpenMP Fortran and C++ code. To ensure reliability and applicability, the dataset is created from a range of representative open-source OpenMP benchmarks. It is also refined using a meticulous code similarity test. The effectiveness of our dataset is assessed using both quantitative (CodeBLEU) and qualitative (human evaluation) methods. We showcase how this dataset significantly elevates the translation competencies of large language models (LLMs). Specifically, models without prior coding knowledge experienced a boost of times~5.1 in their CodeBLEU scores, while models with some coding familiarity saw an impressive times~9.9-fold increase. The best fine-tuned model using our dataset outperforms GPT-4. It is also reaching human-level accuracy. This work underscores the immense potential of our dataset in propelling advancements in the domain of code translation for high-performance computing. The dataset is accessible at https://github.com/bin123apple/Fortran-CPP-HPC-code-translation-dataset{OpenMP-Fortran-CPP-Translation}.

Cluster analysis relies on effective benchmarks for evaluating and comparing different algorithms. Simulation studies on synthetic data are popular because important features of the data sets, such as the overlap between clusters, or the variation in cluster shapes, can be effectively varied. Unfortunately, creating evaluation scenarios is often laborious, as practitioners must translate higher-level scenario descriptions like "clusters with very different shapes" into lower-level geometric parameters such as cluster centers, covariance matrices, etc. To make benchmarks more convenient and informative, we propose synthetic data generation based on direct specification of high-level scenarios, either through verbal descriptions or high-level geometric parameters. Our open-source Python package repliclust implements this workflow, making it easy to set up interpretable and reproducible benchmarks for cluster analysis. A demo of data generation from verbal inputs is available at https://demo.repliclust.org.

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.

Large language models have led to state-of-the-art accuracies across a range of tasks. However, training these models efficiently is challenging for two reasons: a) GPU memory capacity is limited, making it impossible to fit large models on even a multi-GPU server, and b) the number of compute operations required to train these models can result in unrealistically long training times. Consequently, new methods of model parallelism such as tensor and pipeline parallelism have been proposed. Unfortunately, naive usage of these methods leads to fundamental scaling issues at thousands of GPUs, e.g., due to expensive cross-node communication or devices spending significant time waiting on other devices to make progress. In this paper, we show how different types of parallelism methods (tensor, pipeline, and data parallelism) can be composed to scale to thousands of GPUs and models with trillions of parameters. We survey techniques for pipeline parallelism and propose a novel interleaved pipeline parallelism schedule that can improve throughput by 10+% with memory footprint comparable to existing approaches. We quantitatively study the trade-offs between tensor, pipeline, and data parallelism, and provide intuition as to how to configure distributed training of a large model. Our approach allows us to perform training iterations on a model with 1 trillion parameters at 502 petaFLOP/s on 3072 GPUs with achieved per-GPU throughput of 52% of theoretical peak. Our code is open sourced at https://github.com/nvidia/megatron-lm.

MPI derived datatypes are an abstraction that simplifies handling of non-contiguous data in MPI applications. These datatypes are recursively constructed at runtime from primitive Named Types defined in the MPI standard. More recently, the development and deployment of CUDA-aware MPI implementations has encouraged the transition of distributed high-performance MPI codes to use GPUs. Such implementations allow MPI functions to directly operate on GPU buffers, easing integration of GPU compute into MPI codes. This work first presents a novel datatype handling strategy for nested strided datatypes, which finds a middle ground between the specialized or generic handling in prior work. This work also shows that the performance characteristics of non-contiguous data handling can be modeled with empirical system measurements, and used to transparently improve MPI_Send/Recv latency. Finally, despite substantial attention to non-contiguous GPU data and CUDA-aware MPI implementations, good performance cannot be taken for granted. This work demonstrates its contributions through an MPI interposer library, TEMPI. TEMPI can be used with existing MPI deployments without system or application changes. Ultimately, the interposed-library model of this work demonstrates MPI_Pack speedup of up to 242000x and MPI_Send speedup of up to 59000x compared to the MPI implementation deployed on a leadership-class supercomputer. This yields speedup of more than 917x in a 3D halo exchange with 3072 processes.

Novel machine learning methods for tabular data generation are often developed on small datasets which do not match the scale required for scientific applications. We investigate a recent proposal to use XGBoost as the function approximator in diffusion and flow-matching models on tabular data, which proved to be extremely memory intensive, even on tiny datasets. In this work, we conduct a critical analysis of the existing implementation from an engineering perspective, and show that these limitations are not fundamental to the method; with better implementation it can be scaled to datasets 370x larger than previously used. Our efficient implementation also unlocks scaling models to much larger sizes which we show directly leads to improved performance on benchmark tasks. We also propose algorithmic improvements that can further benefit resource usage and model performance, including multi-output trees which are well-suited to generative modeling. Finally, we present results on large-scale scientific datasets derived from experimental particle physics as part of the Fast Calorimeter Simulation Challenge. Code is available at https://github.com/layer6ai-labs/calo-forest.

Many deep learning applications benefit from using large models with billions of parameters. Training these models is notoriously expensive due to the need for specialized HPC clusters. In this work, we consider alternative setups for training large models: using cheap "preemptible" instances or pooling existing resources from multiple regions. We analyze the performance of existing model-parallel algorithms in these conditions and find configurations where training larger models becomes less communication-intensive. Based on these findings, we propose SWARM parallelism, a model-parallel training algorithm designed for poorly connected, heterogeneous and unreliable devices. SWARM creates temporary randomized pipelines between nodes that are rebalanced in case of failure. We empirically validate our findings and compare SWARM parallelism with existing large-scale training approaches. Finally, we combine our insights with compression strategies to train a large Transformer language model with 1B shared parameters (approximately 13B before sharing) on preemptible T4 GPUs with less than 200Mb/s network.

Reinforcement learning has demonstrated great potential for performing financial tasks. However, it faces two major challenges: policy instability and sampling bottlenecks. In this paper, we revisit ensemble methods with massively parallel simulations on graphics processing units (GPUs), significantly enhancing the computational efficiency and robustness of trained models in volatile financial markets. Our approach leverages the parallel processing capability of GPUs to significantly improve the sampling speed for training ensemble models. The ensemble models combine the strengths of component agents to improve the robustness of financial decision-making strategies. We conduct experiments in both stock and cryptocurrency trading tasks to evaluate the effectiveness of our approach. Massively parallel simulation on a single GPU improves the sampling speed by up to 1,746times using 2,048 parallel environments compared to a single environment. The ensemble models have high cumulative returns and outperform some individual agents, reducing maximum drawdown by up to 4.17% and improving the Sharpe ratio by up to 0.21. This paper describes trading tasks at ACM ICAIF FinRL Contests in 2023 and 2024.

The imperative need to scale computation across numerous nodes highlights the significance of efficient parallel computing, particularly in the realm of Message Passing Interface (MPI) integration. The challenging parallel programming task of generating MPI-based parallel programs has remained unexplored. This study first investigates the performance of state-of-the-art language models in generating MPI-based parallel programs. Findings reveal that widely used models such as GPT-3.5 and PolyCoder (specialized multi-lingual code models) exhibit notable performance degradation, when generating MPI-based programs compared to general-purpose programs. In contrast, domain-specific models such as MonoCoder, which are pretrained on MPI-related programming languages of C and C++, outperform larger models. Subsequently, we introduce a dedicated downstream task of MPI-based program generation by fine-tuning MonoCoder on HPCorpusMPI. We call the resulting model as MPIrigen. We propose an innovative preprocessing for completion only after observing the whole code, thus enabling better completion with a wider context. Comparative analysis against GPT-3.5 zero-shot performance, using a novel HPC-oriented evaluation method, demonstrates that MPIrigen excels in generating accurate MPI functions up to 0.8 accuracy in location and function predictions, and with more than 0.9 accuracy for argument predictions. The success of this tailored solution underscores the importance of domain-specific fine-tuning in optimizing language models for parallel computing code generation, paving the way for a new generation of automatic parallelization tools. The sources of this work are available at our GitHub MPIrigen repository: https://github.com/Scientific-Computing-Lab-NRCN/MPI-rigen

The spatiotemporal resolution of Partial Differential Equations (PDEs) plays important roles in the mathematical description of the world's physical phenomena. In general, scientists and engineers solve PDEs numerically by the use of computationally demanding solvers. Recently, deep learning algorithms have emerged as a viable alternative for obtaining fast solutions for PDEs. Models are usually trained on synthetic data generated by solvers, stored on disk and read back for training. This paper advocates that relying on a traditional static dataset to train these models does not allow the full benefit of the solver to be used as a data generator. It proposes an open source online training framework for deep surrogate models. The framework implements several levels of parallelism focused on simultaneously generating numerical simulations and training deep neural networks. This approach suppresses the I/O and storage bottleneck associated with disk-loaded datasets, and opens the way to training on significantly larger datasets. Experiments compare the offline and online training of four surrogate models, including state-of-the-art architectures. Results indicate that exposing deep surrogate models to more dataset diversity, up to hundreds of GB, can increase model generalization capabilities. Fully connected neural networks, Fourier Neural Operator (FNO), and Message Passing PDE Solver prediction accuracy is improved by 68%, 16% and 7%, respectively.

Increasing the scale of reinforcement learning experiments has allowed researchers to achieve unprecedented results in both training sophisticated agents for video games, and in sim-to-real transfer for robotics. Typically such experiments rely on large distributed systems and require expensive hardware setups, limiting wider access to this exciting area of research. In this work we aim to solve this problem by optimizing the efficiency and resource utilization of reinforcement learning algorithms instead of relying on distributed computation. We present the "Sample Factory", a high-throughput training system optimized for a single-machine setting. Our architecture combines a highly efficient, asynchronous, GPU-based sampler with off-policy correction techniques, allowing us to achieve throughput higher than 10^5 environment frames/second on non-trivial control problems in 3D without sacrificing sample efficiency. We extend Sample Factory to support self-play and population-based training and apply these techniques to train highly capable agents for a multiplayer first-person shooter game. The source code is available at https://github.com/alex-petrenko/sample-factory

The pre-trained model (PTM) is revolutionizing Artificial Intelligence (AI) technology. However, the hardware requirement of PTM training is prohibitively high, making it a game for a small proportion of people. Therefore, we proposed PatrickStar system to lower the hardware requirements of PTMs and make them accessible to everyone. PatrickStar uses the CPU-GPU heterogeneous memory space to store the model data. Different from existing works, we organize the model data in memory chunks and dynamically distribute them in the heterogeneous memory. Guided by the runtime memory statistics collected in a warm-up iteration, chunks are orchestrated efficiently in heterogeneous memory and generate lower CPU-GPU data transmission volume and higher bandwidth utilization. Symbiosis with the Zero Redundancy Optimizer, PatrickStar scales to multiple GPUs on multiple nodes. % using data parallelism. The system can train tasks on bigger models and larger batch sizes, which cannot be accomplished by existing works. Experimental results show that PatrickStar extends model scales 2.27 and 2.5 times of DeepSpeed, and consistently exhibits significantly higher execution speed. PatricStar also successfully runs the 175B GPT3 training task on a 32 GPU cluster. Our code is publicly available at https://github.com/Tencent/PatrickStar.

This paper presents the design, implementation, and evaluation of the PyTorch distributed data parallel module. PyTorch is a widely-adopted scientific computing package used in deep learning research and applications. Recent advances in deep learning argue for the value of large datasets and large models, which necessitates the ability to scale out model training to more computational resources. Data parallelism has emerged as a popular solution for distributed training thanks to its straightforward principle and broad applicability. In general, the technique of distributed data parallelism replicates the model on every computational resource to generate gradients independently and then communicates those gradients at each iteration to keep model replicas consistent. Despite the conceptual simplicity of the technique, the subtle dependencies between computation and communication make it non-trivial to optimize the distributed training efficiency. As of v1.5, PyTorch natively provides several techniques to accelerate distributed data parallel, including bucketing gradients, overlapping computation with communication, and skipping gradient synchronization. Evaluations show that, when configured appropriately, the PyTorch distributed data parallel module attains near-linear scalability using 256 GPUs.

The emergence of Large Language Models (LLMs) has necessitated the adoption of parallel training techniques, involving the deployment of thousands of GPUs to train a single model. Unfortunately, we have found that the efficiency of current parallel training is often suboptimal, largely due to the following two main issues. Firstly, hardware failures are inevitable, leading to interruptions in the training tasks. The inability to quickly identify the faulty components results in a substantial waste of GPU resources. Secondly, since GPUs must wait for parameter synchronization to complete before proceeding to the next round of computation, network congestions can greatly increase the waiting time for GPUs. To address these challenges, this paper introduces a communication-driven solution, namely the C4. The key insights of C4 are two folds. First, in parallel training, collective communication exhibits periodic and homogeneous characteristics, so any anomalies are certainly due to some form of hardware malfunction. By leveraging this feature, C4 can rapidly identify the faulty components, swiftly isolate the anomaly, and restart the task, thereby avoiding resource wastage caused by delays in anomaly detection. Second, the predictable communication model of collective communication, involving few large flows, allows C4 to efficiently execute traffic planning, substantially reducing network congestion. C4 has been extensively implemented across our production systems, cutting error-induced overhead by roughly 30% and enhancing runtime performance by about 15% for certain applications with moderate communication costs.

We present XLand-MiniGrid, a suite of tools and grid-world environments for meta-reinforcement learning research inspired by the diversity and depth of XLand and the simplicity and minimalism of MiniGrid. XLand-Minigrid is written in JAX, designed to be highly scalable, and can potentially run on GPU or TPU accelerators, democratizing large-scale experimentation with limited resources. To demonstrate the generality of our library, we have implemented some well-known single-task environments as well as new meta-learning environments capable of generating 10^8 distinct tasks. We have empirically shown that the proposed environments can scale up to 2^{13} parallel instances on the GPU, reaching tens of millions of steps per second.

Scaling test-time compute is a promising axis for improving LLM capabilities. However, test-time compute can be scaled in a variety of ways, and effectively combining different approaches remains an active area of research. Here, we explore this problem in the context of solving real-world GitHub issues from the SWE-bench dataset. Our system, named CodeMonkeys, allows models to iteratively edit a codebase by jointly generating and running a testing script alongside their draft edit. We sample many of these multi-turn trajectories for every issue to generate a collection of candidate edits. This approach lets us scale "serial" test-time compute by increasing the number of iterations per trajectory and "parallel" test-time compute by increasing the number of trajectories per problem. With parallel scaling, we can amortize up-front costs across multiple downstream samples, allowing us to identify relevant codebase context using the simple method of letting an LLM read every file. In order to select between candidate edits, we combine voting using model-generated tests with a final multi-turn trajectory dedicated to selection. Overall, CodeMonkeys resolves 57.4% of issues from SWE-bench Verified using a budget of approximately 2300 USD. Our selection method can also be used to combine candidates from different sources. Selecting over an ensemble of edits from existing top SWE-bench Verified submissions obtains a score of 66.2% and outperforms the best member of the ensemble on its own. We fully release our code and data at https://scalingintelligence.stanford.edu/pubs/codemonkeys.

Large language models (LLMs) such as GPT-3, OPT, and LLaMA have demonstrated remarkable accuracy in a wide range of tasks. However, training these models can incur significant expenses, often requiring tens of thousands of GPUs for months of continuous operation. Typically, this training is carried out in specialized GPU clusters equipped with homogeneous high-speed Remote Direct Memory Access (RDMA) network interface cards (NICs). The acquisition and maintenance of such dedicated clusters is challenging. Current LLM training frameworks, like Megatron-LM and Megatron-DeepSpeed, focus primarily on optimizing training within homogeneous cluster settings. In this paper, we introduce Holmes, a training framework for LLMs that employs thoughtfully crafted data and model parallelism strategies over the heterogeneous NIC environment. Our primary technical contribution lies in a novel scheduling method that intelligently allocates distinct computational tasklets in LLM training to specific groups of GPU devices based on the characteristics of their connected NICs. Furthermore, our proposed framework, utilizing pipeline parallel techniques, demonstrates scalability to multiple GPU clusters, even in scenarios without high-speed interconnects between nodes in distinct clusters. We conducted comprehensive experiments that involved various scenarios in the heterogeneous NIC environment. In most cases, our framework achieves performance levels close to those achievable with homogeneous RDMA-capable networks (InfiniBand or RoCE), significantly exceeding training efficiency within the pure Ethernet environment. Additionally, we verified that our framework outperforms other mainstream LLM frameworks under heterogeneous NIC environment in terms of training efficiency and can be seamlessly integrated with them.

The way in which data are shared can affect their utility and reusability. Here, we demonstrate how data that we had previously shared in bulk can be mobilized further through a knowledge graph that allows for much more granular exploration and interrogation. The original dataset is about the computational reproducibility of GitHub-hosted Jupyter notebooks associated with biomedical publications. It contains rich metadata about the publications, associated GitHub repositories and Jupyter notebooks, and the notebooks' reproducibility. We took this dataset, converted it into semantic triples and loaded these into a triple store to create a knowledge graph, FAIR Jupyter, that we made accessible via a web service. This enables granular data exploration and analysis through queries that can be tailored to specific use cases. Such queries may provide details about any of the variables from the original dataset, highlight relationships between them or combine some of the graph's content with materials from corresponding external resources. We provide a collection of example queries addressing a range of use cases in research and education. We also outline how sets of such queries can be used to profile specific content types, either individually or by class. We conclude by discussing how such a semantically enhanced sharing of complex datasets can both enhance their FAIRness, i.e., their findability, accessibility, interoperability, and reusability, and help identify and communicate best practices, particularly with regards to data quality, standardization, automation and reproducibility.

Existing checkpointing approaches seem ill-suited for distributed training even though hardware limitations make model parallelism, i.e., sharding model state across multiple accelerators, a requirement for model scaling. Consolidating distributed model state into a single checkpoint unacceptably slows down training, and is impractical at extreme scales. Distributed checkpoints, in contrast, are tightly coupled to the model parallelism and hardware configurations of the training run, and thus unusable on different configurations. To address this problem, we propose Universal Checkpointing, a technique that enables efficient checkpoint creation while providing the flexibility of resuming on arbitrary parallelism strategy and hardware configurations. Universal Checkpointing unlocks unprecedented capabilities for large-scale training such as improved resilience to hardware failures through continued training on remaining healthy hardware, and reduced training time through opportunistic exploitation of elastic capacity. The key insight of Universal Checkpointing is the selection of the optimal representation in each phase of the checkpointing life cycle: distributed representation for saving, and consolidated representation for loading. This is achieved using two key mechanisms. First, the universal checkpoint format, which consists of a consolidated representation of each model parameter and metadata for mapping parameter fragments into training ranks of arbitrary model-parallelism configuration. Second, the universal checkpoint language, a simple but powerful specification language for converting distributed checkpoints into the universal checkpoint format. Our evaluation demonstrates the effectiveness and generality of Universal Checkpointing on state-of-the-art model architectures and a wide range of parallelism techniques.

It is widely acknowledged that large models have the potential to deliver superior performance across a broad range of domains. Despite the remarkable progress made in the field of machine learning systems research, which has enabled the development and exploration of large models, such abilities remain confined to a small group of advanced users and industry leaders, resulting in an implicit technical barrier for the wider community to access and leverage these technologies. In this paper, we introduce PyTorch Fully Sharded Data Parallel (FSDP) as an industry-grade solution for large model training. FSDP has been closely co-designed with several key PyTorch core components including Tensor implementation, dispatcher system, and CUDA memory caching allocator, to provide non-intrusive user experiences and high training efficiency. Additionally, FSDP natively incorporates a range of techniques and settings to optimize resource utilization across a variety of hardware configurations. The experimental results demonstrate that FSDP is capable of achieving comparable performance to Distributed Data Parallel while providing support for significantly larger models with near-linear scalability in terms of TFLOPS.

We present GSPMD, an automatic, compiler-based parallelization system for common machine learning computations. It allows users to write programs in the same way as for a single device, then give hints through a few annotations on how to distribute tensors, based on which GSPMD will parallelize the computation. Its representation of partitioning is simple yet general, allowing it to express different or mixed paradigms of parallelism on a wide variety of models. GSPMD infers the partitioning for every operator based on limited user annotations, making it convenient to scale existing single-device programs. It solves several technical challenges for production usage, allowing GSPMD to achieve 50% to 62% compute utilization on up to 2048 Cloud TPUv3 cores for models with up to one trillion parameters.

Sequential models, such as Recurrent Neural Networks and Neural Ordinary Differential Equations, have long suffered from slow training due to their inherent sequential nature. For many years this bottleneck has persisted, as many thought sequential models could not be parallelized. We challenge this long-held belief with our parallel algorithm that accelerates GPU evaluation of sequential models by up to 3 orders of magnitude faster without compromising output accuracy. The algorithm does not need any special structure in the sequential models' architecture, making it applicable to a wide range of architectures. Using our method, training sequential models can be more than 10 times faster than the common sequential method without any meaningful difference in the training results. Leveraging this accelerated training, we discovered the efficacy of the Gated Recurrent Unit in a long time series classification problem with 17k time samples. By overcoming the training bottleneck, our work serves as the first step to unlock the potential of non-linear sequential models for long sequence problems.

CPU performance prediction, which involves forecasting the performance scores of a CPU based on its hardware characteristics during its operation, is a critical technology for computational system design and resource management in the big data era. However, this research field currently faces two significant challenges. First, collecting real-world data is challenging due to the wide variety of CPU products on the market and the highly specialized nature of relevant hardware characteristics. In the research process, this field lacks a standard dataset with unified hardware characteristics, wide data coverage, and comprehensive benchmarks. Second, existing methods based on hardware simulation models or machine learning exhibit notable shortcomings, such as lengthy simulation test cycles and low prediction accuracy. To bridge these gaps, we first collect, preprocess, and standardize historical data from the 4th Generation Intel Xeon Scalable Processors across multiple benchmark suites to create a new dataset, named PerfCastDB. Subsequently, we design a deep learning based model called Nova CPU Performance Predictor (NCPP) as the baseline for this new dataset. The NCPP network is designed based on group attention mechanism. It effectively quantifies the implicit relationships between hardware characteristics within and across groups and comprehensively models the impact of various hardware characteristics on CPU performance prediction. We conduct comparative experiments using the proposed PerfCastDB dataset. Compared to existing approaches, NCPP achieves superior evaluation results, demonstrating its effectiveness. Furthermore, we have open-sourced part of the dataset and the NCPP network code to facilitate subsequent research. The resources can be accessed at https://github.com/xiaoman-liu/NCPP.

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

We describe MGARD, a software providing MultiGrid Adaptive Reduction for floating-point scientific data on structured and unstructured grids. With exceptional data compression capability and precise error control, MGARD addresses a wide range of requirements, including storage reduction, high-performance I/O, and in-situ data analysis. It features a unified application programming interface (API) that seamlessly operates across diverse computing architectures. MGARD has been optimized with highly-tuned GPU kernels and efficient memory and device management mechanisms, ensuring scalable and rapid operations.

Benchmarking vision-based driving policies is challenging. On one hand, open-loop evaluation with real data is easy, but these results do not reflect closed-loop performance. On the other, closed-loop evaluation is possible in simulation, but is hard to scale due to its significant computational demands. Further, the simulators available today exhibit a large domain gap to real data. This has resulted in an inability to draw clear conclusions from the rapidly growing body of research on end-to-end autonomous driving. In this paper, we present NAVSIM, a middle ground between these evaluation paradigms, where we use large datasets in combination with a non-reactive simulator to enable large-scale real-world benchmarking. Specifically, we gather simulation-based metrics, such as progress and time to collision, by unrolling bird's eye view abstractions of the test scenes for a short simulation horizon. Our simulation is non-reactive, i.e., the evaluated policy and environment do not influence each other. As we demonstrate empirically, this decoupling allows open-loop metric computation while being better aligned with closed-loop evaluations than traditional displacement errors. NAVSIM enabled a new competition held at CVPR 2024, where 143 teams submitted 463 entries, resulting in several new insights. On a large set of challenging scenarios, we observe that simple methods with moderate compute requirements such as TransFuser can match recent large-scale end-to-end driving architectures such as UniAD. Our modular framework can potentially be extended with new datasets, data curation strategies, and metrics, and will be continually maintained to host future challenges. Our code is available at https://github.com/autonomousvision/navsim.

Large Language Models are becoming an increasingly popular tool for software development. Their ability to model and generate source code has been demonstrated in a variety of contexts, including code completion, summarization, translation, and lookup. However, they often struggle to generate code for more complex tasks. In this paper, we explore the ability of state-of-the-art language models to generate parallel code. We propose a benchmark, PCGBench, consisting of a set of 420 tasks for evaluating the ability of language models to generate parallel code, and we evaluate the performance of several state-of-the-art open- and closed-source language models on these tasks. We introduce novel metrics for comparing parallel code generation performance and use them to explore how well each LLM performs on various parallel programming models and computational problem types.

We introduce Autoregressive Diffusion Models (ARDMs), a model class encompassing and generalizing order-agnostic autoregressive models (Uria et al., 2014) and absorbing discrete diffusion (Austin et al., 2021), which we show are special cases of ARDMs under mild assumptions. ARDMs are simple to implement and easy to train. Unlike standard ARMs, they do not require causal masking of model representations, and can be trained using an efficient objective similar to modern probabilistic diffusion models that scales favourably to highly-dimensional data. At test time, ARDMs support parallel generation which can be adapted to fit any given generation budget. We find that ARDMs require significantly fewer steps than discrete diffusion models to attain the same performance. Finally, we apply ARDMs to lossless compression, and show that they are uniquely suited to this task. Contrary to existing approaches based on bits-back coding, ARDMs obtain compelling results not only on complete datasets, but also on compressing single data points. Moreover, this can be done using a modest number of network calls for (de)compression due to the model's adaptable parallel generation.

Offline multi-agent reinforcement learning (MARL) is an exciting direction of research that uses static datasets to find optimal control policies for multi-agent systems. Though the field is by definition data-driven, efforts have thus far neglected data in their drive to achieve state-of-the-art results. We first substantiate this claim by surveying the literature, showing how the majority of works generate their own datasets without consistent methodology and provide sparse information about the characteristics of these datasets. We then show why neglecting the nature of the data is problematic, through salient examples of how tightly algorithmic performance is coupled to the dataset used, necessitating a common foundation for experiments in the field. In response, we take a big step towards improving data usage and data awareness in offline MARL, with three key contributions: (1) a clear guideline for generating novel datasets; (2) a standardisation of over 80 existing datasets, hosted in a publicly available repository, using a consistent storage format and easy-to-use API; and (3) a suite of analysis tools that allow us to understand these datasets better, aiding further development.

Voronoi diagrams are essential geometrical structures with numerous applications, particularly astrophysics-driven finite volume methods. While serial algorithms for constructing these entities are well-established, parallel construction remains challenging. This is especially true in distributed memory systems, where each host manages only a subset of the input points. This process requires redistributing points across hosts and accurately computing the corresponding Voronoi cells. In this paper, we introduce a new distributed construction algorithm, which is implemented in our open-source C++ 3-dimensional Voronoi construction framework. Our approach leverages Delaunay triangulation as an intermediate step, which is then transformed into a Voronoi diagram. We introduce the algorithms we implemented for the precise construction and our load-balancing approach and compare the running time with other state-of-the-art frameworks. MadVoro is a versatile tool that can be applied in various scientific domains, such as mesh decomposition, computational physics, chemistry, and machine learning.

We present the design of a new large scale orchestration layer for accelerators. Our system, Pathways, is explicitly designed to enable exploration of new systems and ML research ideas, while retaining state of the art performance for current models. Pathways uses a sharded dataflow graph of asynchronous operators that consume and produce futures, and efficiently gang-schedules heterogeneous parallel computations on thousands of accelerators while coordinating data transfers over their dedicated interconnects. Pathways makes use of a novel asynchronous distributed dataflow design that lets the control plane execute in parallel despite dependencies in the data plane. This design, with careful engineering, allows Pathways to adopt a single-controller model that makes it easier to express complex new parallelism patterns. We demonstrate that Pathways can achieve performance parity (~100% accelerator utilization) with state-of-the-art systems when running SPMD computations over 2048 TPUs, while also delivering throughput comparable to the SPMD case for Transformer models that are pipelined across 16 stages, or sharded across two islands of accelerators connected over a data center network.

This paper presents a new open-source high-fidelity dataset for Machine Learning (ML) containing 355 geometric variants of the Windsor body, to help the development and testing of ML surrogate models for external automotive aerodynamics. Each Computational Fluid Dynamics (CFD) simulation was run with a GPU-native high-fidelity Wall-Modeled Large-Eddy Simulations (WMLES) using a Cartesian immersed-boundary method using more than 280M cells to ensure the greatest possible accuracy. The dataset contains geometry variants that exhibits a wide range of flow characteristics that are representative of those observed on road-cars. The dataset itself contains the 3D time-averaged volume & boundary data as well as the geometry and force & moment coefficients. This paper discusses the validation of the underlying CFD methods as well as contents and structure of the dataset. To the authors knowledge, this represents the first, large-scale high-fidelity CFD dataset for the Windsor body with a permissive open-source license (CC-BY-SA).

Modern techniques for physical simulations rely on numerical schemes and mesh-refinement methods to address trade-offs between precision and complexity, but these handcrafted solutions are tedious and require high computational power. Data-driven methods based on large-scale machine learning promise high adaptivity by integrating long-range dependencies more directly and efficiently. In this work, we focus on fluid dynamics and address the shortcomings of a large part of the literature, which are based on fixed support for computations and predictions in the form of regular or irregular grids. We propose a novel setup to perform predictions in a continuous spatial and temporal domain while being trained on sparse observations. We formulate the task as a double observation problem and propose a solution with two interlinked dynamical systems defined on, respectively, the sparse positions and the continuous domain, which allows to forecast and interpolate a solution from the initial condition. Our practical implementation involves recurrent GNNs and a spatio-temporal attention observer capable of interpolating the solution at arbitrary locations. Our model not only generalizes to new initial conditions (as standard auto-regressive models do) but also performs evaluation at arbitrary space and time locations. We evaluate on three standard datasets in fluid dynamics and compare to strong baselines, which are outperformed both in classical settings and in the extended new task requiring continuous predictions.

Robotic simulators are crucial for academic research and education as well as the development of safety-critical applications. Reinforcement learning environments -- simple simulations coupled with a problem specification in the form of a reward function -- are also important to standardize the development (and benchmarking) of learning algorithms. Yet, full-scale simulators typically lack portability and parallelizability. Vice versa, many reinforcement learning environments trade-off realism for high sample throughputs in toy-like problems. While public data sets have greatly benefited deep learning and computer vision, we still lack the software tools to simultaneously develop -- and fairly compare -- control theory and reinforcement learning approaches. In this paper, we propose an open-source OpenAI Gym-like environment for multiple quadcopters based on the Bullet physics engine. Its multi-agent and vision based reinforcement learning interfaces, as well as the support of realistic collisions and aerodynamic effects, make it, to the best of our knowledge, a first of its kind. We demonstrate its use through several examples, either for control (trajectory tracking with PID control, multi-robot flight with downwash, etc.) or reinforcement learning (single and multi-agent stabilization tasks), hoping to inspire future research that combines control theory and machine learning.

Instruction tuning is a burgeoning method to elicit the general intelligence of Large Language Models (LLMs). However, the creation of instruction data is still largely heuristic, leading to significant variation in quality and distribution across existing datasets. Experimental conclusions drawn from these datasets are also inconsistent, with some studies emphasizing the importance of scaling instruction numbers, while others argue that a limited number of samples suffice. To better understand data construction guidelines, we deepen our focus from the overall model performance to the growth of each underlying ability, such as creative writing, code generation, and logical reasoning. We systematically investigate the effects of data volume, parameter size, and data construction methods on the development of various abilities, using hundreds of model checkpoints (7b to 33b) fully instruction-tuned on a new collection of over 40k human-curated instruction data. This proposed dataset is stringently quality-controlled and categorized into ten distinct LLM abilities. Our study reveals three primary findings: (i) Despite data volume and parameter scale directly impacting models' overall performance, some abilities are more responsive to their increases and can be effectively trained using limited data, while some are highly resistant to these changes. (ii) Human-curated data strongly outperforms synthetic data from GPT-4 in efficiency and can constantly enhance model performance with volume increases, but is unachievable with synthetic data. (iii) Instruction data brings powerful cross-ability generalization, with evaluation results on out-of-domain data mirroring the first two observations. Furthermore, we demonstrate how these findings can guide more efficient data constructions, leading to practical performance improvements on public benchmarks.

With contributions from the open-source community, a vast amount of instruction tuning (IT) data has emerged. Given the significant resource allocation required for training and evaluating models, it is advantageous to have an efficient method for selecting high-quality IT data. However, existing methods for instruction data selection have limitations such as relying on fragile external APIs, being affected by biases in GPT models, or reducing the diversity of the selected instruction dataset. In this paper, we propose an industrial-friendly, expert-aligned and diversity-preserved instruction data selection method: Clustering and Ranking (CaR). CaR employs a two-step process: first, it ranks instruction pairs using a high-accuracy (84.25%) scoring model aligned with expert preferences; second, it preserves dataset diversity through clustering. In our experiment, CaR efficiently selected a mere 1.96% of Alpaca's IT data, yet the resulting AlpaCaR model surpassed Alpaca's performance by an average of 32.1% in GPT-4 evaluations. Moreover, we find that data selecting is a consistent paradigm whether the pre-trained model is more capable or the model parameters scaling up. Our approach employs compact models with 550M parameters and incurs just 11.2% of the financial outlay of current methods, enhancing its industrial deployability.

This paper presents a novel approach for similarity search with complex filtering capabilities on billion-scale datasets, optimized for CPU inference. Our method extends the classical IVF-Flat index structure to integrate multi-dimensional filters. The proposed algorithm combines dense embeddings with discrete filtering attributes, enabling fast retrieval in high-dimensional spaces. Designed specifically for CPU-based systems, our disk-based approach offers a cost-effective solution for large-scale similarity search. We demonstrate the effectiveness of our method through a case study, showcasing its potential for various practical uses.

Autoregressive models, despite their commendable performance in a myriad of generative tasks, face challenges stemming from their inherently sequential structure. Inference on these models, by design, harnesses a temporal dependency, where the current token's probability distribution is conditioned on preceding tokens. This inherent characteristic severely impedes computational efficiency during inference as a typical inference request can require more than thousands of tokens, where generating each token requires a load of entire model weights, making the inference more memory-bound. The large overhead becomes profound in real deployment where requests arrive randomly, necessitating various generation lengths. Existing solutions, such as dynamic batching and concurrent instances, introduce significant response delays and bandwidth contention, falling short of achieving optimal latency and throughput. To address these shortcomings, we propose Flover -- a temporal fusion framework for efficiently inferring multiple requests in parallel. We deconstruct the general generation pipeline into pre-processing and token generation, and equip the framework with a dedicated work scheduler for fusing the generation process temporally across all requests. By orchestrating the token-level parallelism, Flover exhibits optimal hardware efficiency and significantly spares the system resources. By further employing a fast buffer reordering algorithm that allows memory eviction of finished tasks, it brings over 11x inference speedup on GPT and 16x on LLAMA compared to the cutting-edge solutions provided by NVIDIA FasterTransformer. Crucially, by leveraging the advanced tensor parallel technique, Flover proves efficacious across diverse computational landscapes, from single-GPU setups to distributed scenarios, thereby offering robust performance optimization that adapts to variable use cases.

We present the RODEM Jet Datasets, a comprehensive collection of simulated large-radius jets designed to support the development and evaluation of machine-learning algorithms in particle physics. These datasets encompass a diverse range of jet sources, including quark/gluon jets, jets from the decay of W bosons, top quarks, and heavy new-physics particles. The datasets provide detailed substructure information, including jet kinematics, constituent kinematics, and track displacement details, enabling a wide range of applications in jet tagging, anomaly detection, and generative modelling.

Pipeline parallelism is one of the key components for large-scale distributed training, yet its efficiency suffers from pipeline bubbles which were deemed inevitable. In this work, we introduce a scheduling strategy that, to our knowledge, is the first to successfully achieve zero pipeline bubbles under synchronous training semantics. The key idea behind this improvement is to split the backward computation into two parts, one that computes gradient for the input and another that computes for the parameters. Based on this idea, we handcraft novel pipeline schedules that significantly outperform the baseline methods. We further develop an algorithm that automatically finds an optimal schedule based on specific model configuration and memory limit. Additionally, to truly achieve zero bubble, we introduce a novel technique to bypass synchronizations during the optimizer step. Experimental evaluations show that our method outperforms the 1F1B schedule up to 23% in throughput under a similar memory limit. This number can be further pushed to 31% when the memory constraint is relaxed. We believe our results mark a major step forward in harnessing the true potential of pipeline parallelism. We open sourced our implementation based on the popular Megatron-LM repository on https://github.com/sail-sg/zero-bubble-pipeline-parallelism.

The most popular framework for distributed training of machine learning models is the (synchronous) parameter server (PS). This paradigm consists of n workers, which iteratively compute updates of the model parameters, and a stateful PS, which waits and aggregates all updates to generate a new estimate of model parameters and sends it back to the workers for a new iteration. Transient computation slowdowns or transmission delays can intolerably lengthen the time of each iteration. An efficient way to mitigate this problem is to let the PS wait only for the fastest n-b updates, before generating the new parameters. The slowest b workers are called backup workers. The optimal number b of backup workers depends on the cluster configuration and workload, but also (as we show in this paper) on the hyper-parameters of the learning algorithm and the current stage of the training. We propose DBW, an algorithm that dynamically decides the number of backup workers during the training process to maximize the convergence speed at each iteration. Our experiments show that DBW 1) removes the necessity to tune b by preliminary time-consuming experiments, and 2) makes the training up to a factor 3 faster than the optimal static configuration.

Efficient distributed training serves as a powerful catalyst and an essential foundation for the development of large-scale neural networks. In distributed training scenarios, various pipeline parallelism methods are cleverly designed and widely employed. In this paper, we propose ZeroPP, a highly efficient and flexible pipeline parallelism method that trades off pipeline bubbles, memory usage, and communication through adaptive scheduling units. ZeroPP achieves minimal pipeline bubbles by carefully staggering the computation tasks of forward, input gradient, and weight gradient within a scheduling unit. Additionally, ZeroPP optimizes the combination of pipeline parallelism and fully sharded data parallelism using a blockwise schedule. We conduct experiments with popular GPT-style models and observe up to a 30% increase in throughput compared to the state-of-the-art breath-first pipeline parallelism. Besides, our evaluation also demonstrates up to a 68% increase in throughput and a 10% reduction in memory consumption compared to the memory-efficient 1F1B method.

Similarity search finds application in specialized database systems handling complex data such as images or videos, which are typically represented by high-dimensional features and require specific indexing structures. This paper tackles the problem of better utilizing GPUs for this task. While GPUs excel at data-parallel tasks, prior approaches are bottlenecked by algorithms that expose less parallelism, such as k-min selection, or make poor use of the memory hierarchy. We propose a design for k-selection that operates at up to 55% of theoretical peak performance, enabling a nearest neighbor implementation that is 8.5x faster than prior GPU state of the art. We apply it in different similarity search scenarios, by proposing optimized design for brute-force, approximate and compressed-domain search based on product quantization. In all these setups, we outperform the state of the art by large margins. Our implementation enables the construction of a high accuracy k-NN graph on 95 million images from the Yfcc100M dataset in 35 minutes, and of a graph connecting 1 billion vectors in less than 12 hours on 4 Maxwell Titan X GPUs. We have open-sourced our approach for the sake of comparison and reproducibility.

Traditionally, data selection has been studied in settings where all samples from prospective sources are fully revealed to a machine learning developer. However, in practical data exchange scenarios, data providers often reveal only a limited subset of samples before an acquisition decision is made. Recently, there have been efforts to fit scaling laws that predict model performance at any size and data source composition using the limited available samples. However, these scaling functions are black-box, computationally expensive to fit, highly susceptible to overfitting, or/and difficult to optimize for data selection. This paper proposes a framework called <projektor>, which predicts model performance and supports data selection decisions based on partial samples of prospective data sources. Our approach distinguishes itself from existing work by introducing a novel *two-stage* performance inference process. In the first stage, we leverage the Optimal Transport distance to predict the model's performance for any data mixture ratio within the range of disclosed data sizes. In the second stage, we extrapolate the performance to larger undisclosed data sizes based on a novel parameter-free mapping technique inspired by neural scaling laws. We further derive an efficient gradient-based method to select data sources based on the projected model performance. Evaluation over a diverse range of applications demonstrates that <projektor> significantly improves existing performance scaling approaches in terms of both the accuracy of performance inference and the computation costs associated with constructing the performance predictor. Also, <projektor> outperforms by a wide margin in data selection effectiveness compared to a range of other off-the-shelf solutions.

Training large-scale models under given resources requires careful design of parallelism strategies. In particular, the efficiency notion of critical batch size (CBS), concerning the compromise between time and compute, marks the threshold beyond which greater data parallelism leads to diminishing returns. To operationalize it, we propose a measure of CBS and pre-train a series of auto-regressive language models, ranging from 85 million to 1.2 billion parameters, on the C4 dataset. Through extensive hyper-parameter sweeps and careful control of factors such as batch size, momentum, and learning rate along with its scheduling, we systematically investigate the impact of scale on CBS. Then we fit scaling laws with respect to model and data sizes to decouple their effects. Overall, our results demonstrate that CBS scales primarily with data size rather than model size, a finding we justify theoretically through the analysis of infinite-width limits of neural networks and infinite-dimensional least squares regression. Of independent interest, we highlight the importance of common hyper-parameter choices and strategies for studying large-scale pre-training beyond fixed training durations.

Data sharding, a technique for partitioning and distributing data among multiple servers or nodes, offers enhancements in the scalability, performance, and fault tolerance of extensive distributed systems. Nonetheless, this strategy introduces novel challenges, including load balancing among shards, management of node failures and data loss, and adaptation to evolving data and workload patterns. This paper proposes an innovative approach to tackle these challenges by empowering self-healing nodes with adaptive data sharding. Leveraging concepts such as self-replication, fractal regeneration, sentient data sharding, and symbiotic node clusters, our approach establishes a dynamic and resilient data sharding scheme capable of addressing diverse scenarios and meeting varied requirements. Implementation and evaluation of our approach involve a prototype system simulating a large-scale distributed database across various data sharding scenarios. Comparative analyses against existing data sharding techniques highlight the superior scalability, performance, fault tolerance, and adaptability of our approach. Additionally, the paper delves into potential applications and limitations, providing insights into the future research directions that can further advance this innovative approach.

LLMs have seen rapid adoption in all domains. They need to be trained on high-end high-performance computing (HPC) infrastructures and ingest massive amounts of input data. Unsurprisingly, at such a large scale, unexpected events (e.g., failures of components, instability of the software, undesirable learning patterns, etc.), are frequent and typically impact the training in a negative fashion. Thus, LLMs need to be checkpointed frequently so that they can be rolled back to a stable state and subsequently fine-tuned. However, given the large sizes of LLMs, a straightforward checkpointing solution that directly writes the model parameters and optimizer state to persistent storage (e.g., a parallel file system), incurs significant I/O overheads. To address this challenge, in this paper we study how to reduce the I/O overheads for enabling fast and scalable checkpointing for LLMs that can be applied at high frequency (up to the granularity of individual iterations) without significant impact on the training process. Specifically, we introduce a lazy asynchronous multi-level approach that takes advantage of the fact that the tensors making up the model and optimizer state shards remain immutable for extended periods of time, which makes it possible to copy their content in the background with minimal interference during the training process. We evaluate our approach at scales of up to 180 GPUs using different model sizes, parallelism settings, and checkpointing frequencies. The results show up to 48times faster checkpointing and 2.2times faster end-to-end training runtime compared with the state-of-art checkpointing approaches.

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state. The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res, https://huggingface.co/datasets/LEAP/ClimSim_low-res, and https://huggingface.co/datasets/LEAP/ClimSim_low-res_aqua-planet) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.

Large model inference is shifting from cloud to edge due to concerns about the privacy of user interaction data. However, edge devices often struggle with limited computing power, memory, and bandwidth, requiring collaboration across multiple devices to run and speed up LLM inference. Pipeline parallelism, the mainstream solution, is inefficient for single-user scenarios, while tensor parallelism struggles with frequent communications. In this paper, we argue that tensor parallelism can be more effective than pipeline on low-resource devices, and present a compute- and memory-efficient tensor parallel inference system, named TPI-LLM, to serve 70B-scale models. TPI-LLM keeps sensitive raw data local in the users' devices and introduces a sliding window memory scheduler to dynamically manage layer weights during inference, with disk I/O latency overlapped with the computation and communication. This allows larger models to run smoothly on memory-limited devices. We analyze the communication bottleneck and find that link latency, not bandwidth, emerges as the main issue, so a star-based allreduce algorithm is implemented. Through extensive experiments on both emulated and real testbeds, TPI-LLM demonstrated over 80% less time-to-first-token and token latency compared to Accelerate, and over 90% compared to Transformers and Galaxy, while cutting the peak memory footprint of Llama 2-70B by 90%, requiring only 3.1 GB of memory for 70B-scale models.

The recent progress of AI can be largely attributed to large language models (LLMs). However, their escalating memory requirements introduce challenges for machine learning (ML) researchers and engineers. Addressing this requires developers to partition a large model to distribute it across multiple GPUs or TPUs. This necessitates considerable coding and intricate configuration efforts with existing model parallel tools, such as Megatron-LM, DeepSpeed, and Alpa. These tools require users' expertise in machine learning systems (MLSys), creating a bottleneck in LLM development, particularly for developers without MLSys background. In this work, we present Redco, a lightweight and user-friendly tool crafted to automate distributed training and inference for LLMs, as well as to simplify ML pipeline development. The design of Redco emphasizes two key aspects. Firstly, to automate model parallism, our study identifies two straightforward rules to generate tensor parallel strategies for any given LLM. Integrating these rules into Redco facilitates effortless distributed LLM training and inference, eliminating the need of additional coding or complex configurations. We demonstrate the effectiveness by applying Redco on a set of LLM architectures, such as GPT-J, LLaMA, T5, and OPT, up to the size of 66B. Secondly, we propose a mechanism that allows for the customization of diverse ML pipelines through the definition of merely three functions, eliminating redundant and formulaic code like multi-host related processing. This mechanism proves adaptable across a spectrum of ML algorithms, from foundational language modeling to complex algorithms like meta-learning and reinforcement learning. Consequently, Redco implementations exhibit much fewer code lines compared to their official counterparts.

In recent times, the emergence of Large Language Models (LLMs) has resulted in increasingly larger model size, posing challenges for inference on low-resource devices. Prior approaches have explored offloading to facilitate low-memory inference but often suffer from efficiency due to I/O bottlenecks. To achieve low-latency LLMs inference on resource-constrained devices, we introduce HeteGen, a novel approach that presents a principled framework for heterogeneous parallel computing using CPUs and GPUs. Based on this framework, HeteGen further employs heterogeneous parallel computing and asynchronous overlap for LLMs to mitigate I/O bottlenecks. Our experiments demonstrate a substantial improvement in inference speed, surpassing state-of-the-art methods by over 317% at most.

In the last three years, the largest dense deep learning models have grown over 1000x to reach hundreds of billions of parameters, while the GPU memory has only grown by 5x (16 GB to 80 GB). Therefore, the growth in model scale has been supported primarily though system innovations that allow large models to fit in the aggregate GPU memory of multiple GPUs. However, we are getting close to the GPU memory wall. It requires 800 NVIDIA V100 GPUs just to fit a trillion parameter model for training, and such clusters are simply out of reach for most data scientists. In addition, training models at that scale requires complex combinations of parallelism techniques that puts a big burden on the data scientists to refactor their model. In this paper we present ZeRO-Infinity, a novel heterogeneous system technology that leverages GPU, CPU, and NVMe memory to allow for unprecedented model scale on limited resources without requiring model code refactoring. At the same time it achieves excellent training throughput and scalability, unencumbered by the limited CPU or NVMe bandwidth. ZeRO-Infinity can fit models with tens and even hundreds of trillions of parameters for training on current generation GPU clusters. It can be used to fine-tune trillion parameter models on a single NVIDIA DGX-2 node, making large models more accessible. In terms of training throughput and scalability, it sustains over 25 petaflops on 512 NVIDIA V100 GPUs(40% of peak), while also demonstrating super linear scalability. An open source implementation of ZeRO-Infinity is available through DeepSpeed, a deep learning optimization library that makes distributed training easy, efficient, and effective.

Variance reduction (VR) techniques have contributed significantly to accelerating learning with massive datasets in the smooth and strongly convex setting (Schmidt et al., 2017; Johnson & Zhang, 2013; Roux et al., 2012). However, such techniques have not yet met the same success in the realm of large-scale deep learning due to various factors such as the use of data augmentation or regularization methods like dropout (Defazio & Bottou, 2019). This challenge has recently motivated the design of novel variance reduction techniques tailored explicitly for deep learning (Arnold et al., 2019; Ma & Yarats, 2018). This work is an additional step in this direction. In particular, we exploit the ubiquitous clustering structure of rich datasets used in deep learning to design a family of scalable variance reduced optimization procedures by combining existing optimizers (e.g., SGD+Momentum, Quasi Hyperbolic Momentum, Implicit Gradient Transport) with a multi-momentum strategy (Yuan et al., 2019). Our proposal leads to faster convergence than vanilla methods on standard benchmark datasets (e.g., CIFAR and ImageNet). It is robust to label noise and amenable to distributed optimization. We provide a parallel implementation in JAX.

Simulations of turbulent flows in 3D are one of the most expensive simulations in computational fluid dynamics (CFD). Many works have been written on surrogate models to replace numerical solvers for fluid flows with faster, learned, autoregressive models. However, the intricacies of turbulence in three dimensions necessitate training these models with very small time steps, while generating realistic flow states requires either long roll-outs with many steps and significant error accumulation or starting from a known, realistic flow state - something we aimed to avoid in the first place. Instead, we propose to approach turbulent flow simulation as a generative task directly learning the manifold of all possible turbulent flow states without relying on any initial flow state. For our experiments, we introduce a challenging 3D turbulence dataset of high-resolution flows and detailed vortex structures caused by various objects and derive two novel sample evaluation metrics for turbulent flows. On this dataset, we show that our generative model captures the distribution of turbulent flows caused by unseen objects and generates high-quality, realistic samples amenable for downstream applications without access to any initial state.

Large Language Models (LLMs) are increasingly helpful in text generation, even writing code in programming languages based on user prompts written in natural language. They are even applied to generate simulation models for multibody systems from natural language. Research results suggest that LLMs surpass the mere replication of existing code examples, where some LLMs have been trained on an open-source multibody simulation code. However, for closed-source simulation software, such results are not to be expected as their ideas and concepts might differ from other publicly available ones. LLMs can hallucinate for knowledge-intensive tasks, such as model creation, which can lead to wrong responses. This is especially the case for the LLM unknown closed-source simulation software. The same applies to other internal knowledge kept private to protect intellectual property or data privacy. The Retrieval-Augmented Generation (RAG) approach might yield a solution for these knowledge-intensive tasks. This paper explores the application of RAG to closed-source simulation software and presents first experiments. After a brief introduction to LLMs, the RAG approach, and the simulation method applied by the close-source simulation software, several examples are provided to test LLMs' knowledge of the simulation software and the creation of simulation models using two RAG systems. The examples show promising results indicating the benefits of applying RAG systems to closed-source simulation software, helping to access their knowledge. Nevertheless, they also reveal gaps in the applied information and open questions for further research.

Proof assistants like Lean have revolutionized mathematical proof verification, ensuring high accuracy and reliability. Although large language models (LLMs) show promise in mathematical reasoning, their advancement in formal theorem proving is hindered by a lack of training data. To address this issue, we introduce an approach to generate extensive Lean 4 proof data derived from high-school and undergraduate-level mathematical competition problems. This approach involves translating natural language problems into formal statements, filtering out low-quality statements, and generating proofs to create synthetic data. After fine-tuning the DeepSeekMath 7B model on this synthetic dataset, which comprises 8 million formal statements with proofs, our model achieved whole-proof generation accuracies of 46.3% with 64 samples and 52% cumulatively on the Lean 4 miniF2F test, surpassing the baseline GPT-4 at 23.0% with 64 samples and a tree search reinforcement learning method at 41.0%. Additionally, our model successfully proved 5 out of 148 problems in the Lean 4 Formalized International Mathematical Olympiad (FIMO) benchmark, while GPT-4 failed to prove any. These results demonstrate the potential of leveraging large-scale synthetic data to enhance theorem-proving capabilities in LLMs. Both the synthetic dataset and the model will be made available to facilitate further research in this promising field.

Feedforward computation, such as evaluating a neural network or sampling from an autoregressive model, is ubiquitous in machine learning. The sequential nature of feedforward computation, however, requires a strict order of execution and cannot be easily accelerated with parallel computing. To enable parallelization, we frame the task of feedforward computation as solving a system of nonlinear equations. We then propose to find the solution using a Jacobi or Gauss-Seidel fixed-point iteration method, as well as hybrid methods of both. Crucially, Jacobi updates operate independently on each equation and can be executed in parallel. Our method is guaranteed to give exactly the same values as the original feedforward computation with a reduced (or equal) number of parallelizable iterations, and hence reduced time given sufficient parallel computing power. Experimentally, we demonstrate the effectiveness of our approach in accelerating (i) backpropagation of RNNs, (ii) evaluation of DenseNets, and (iii) autoregressive sampling of MADE and PixelCNN++, with speedup factors between 2.1 and 26 under various settings.

Synthetic data generation with Large Language Models is a promising paradigm for augmenting natural data over a nearly infinite range of tasks. Given this variety, direct comparisons among synthetic data generation algorithms are scarce, making it difficult to understand where improvement comes from and what bottlenecks exist. We propose to evaluate algorithms via the makeup of synthetic data generated by each algorithm in terms of data quality, diversity, and complexity. We choose these three characteristics for their significance in open-ended processes and the impact each has on the capabilities of downstream models. We find quality to be essential for in-distribution model generalization, diversity to be essential for out-of-distribution generalization, and complexity to be beneficial for both. Further, we emphasize the existence of Quality-Diversity trade-offs in training data and the downstream effects on model performance. We then examine the effect of various components in the synthetic data pipeline on each data characteristic. This examination allows us to taxonomize and compare synthetic data generation algorithms through the components they utilize and the resulting effects on data QDC composition. This analysis extends into a discussion on the importance of balancing QDC in synthetic data for efficient reinforcement learning and self-improvement algorithms. Analogous to the QD trade-offs in training data, often there exist trade-offs between model output quality and output diversity which impact the composition of synthetic data. We observe that many models are currently evaluated and optimized only for output quality, thereby limiting output diversity and the potential for self-improvement. We argue that balancing these trade-offs is essential to the development of future self-improvement algorithms and highlight a number of works making progress in this direction.

Triggered by the realization that AI emulators can rival the performance of traditional numerical weather prediction models running on HPC systems, there is now an increasing number of large AI models that address use cases such as forecasting, downscaling, or nowcasting. While the parallel developments in the AI literature focus on foundation models -- models that can be effectively tuned to address multiple, different use cases -- the developments on the weather and climate side largely focus on single-use cases with particular emphasis on mid-range forecasting. We close this gap by introducing Prithvi WxC, a 2.3 billion parameter foundation model developed using 160 variables from the Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2). Prithvi WxC employs an encoder-decoder-based architecture, incorporating concepts from various recent transformer models to effectively capture both regional and global dependencies in the input data. The model has been designed to accommodate large token counts to model weather phenomena in different topologies at fine resolutions. Furthermore, it is trained with a mixed objective that combines the paradigms of masked reconstruction with forecasting. We test the model on a set of challenging downstream tasks namely: Autoregressive rollout forecasting, Downscaling, Gravity wave flux parameterization, and Extreme events estimation. The pretrained model with 2.3 billion parameters, along with the associated fine-tuning workflows, has been publicly released as an open-source contribution via Hugging Face.

About 90% of the computing resources available to the LHCb experiment has been spent to produce simulated data samples for Run 2 of the Large Hadron Collider at CERN. The upgraded LHCb detector will be able to collect larger data samples, requiring many more simulated events to analyze the data to be collected in Run 3. Simulation is a key necessity of analysis to interpret signal, reject background and measure efficiencies. The needed simulation will far exceed the pledged resources, requiring an evolution in technologies and techniques to produce these simulated data samples. In this contribution, we discuss Lamarr, a Gaudi-based framework to speed-up the simulation production parameterizing both the detector response and the reconstruction algorithms of the LHCb experiment. Deep Generative Models powered by several algorithms and strategies are employed to effectively parameterize the high-level response of the single components of the LHCb detector, encoding within neural networks the experimental errors and uncertainties introduced in the detection and reconstruction phases. Where possible, models are trained directly on real data, statistically subtracting any background components by applying appropriate reweighing procedures. Embedding Lamarr in the general LHCb Gauss Simulation framework allows to combine its execution with any of the available generators in a seamless way. The resulting software package enables a simulation process independent of the detailed simulation used to date.

Pipeline parallelism has been widely explored, but most existing schedules lack a systematic methodology. In this paper, we propose a framework to decompose pipeline schedules as repeating a building block and we show that the lifespan of the building block decides the peak activation memory of the pipeline schedule. Guided by the observations, we find that almost all existing pipeline schedules, to the best of our knowledge, are memory inefficient. To address this, we introduce a family of memory efficient building blocks with controllable activation memory, which can reduce the peak activation memory to 1/2 of 1F1B without sacrificing efficiency, and even to 1/3 with comparable throughput. We can also achieve almost zero pipeline bubbles while maintaining the same activation memory as 1F1B. Our evaluations demonstrate that in pure pipeline parallelism settings, our methods outperform 1F1B by from 7% to 55% in terms of throughput. When employing a grid search over hybrid parallelism hyperparameters in practical scenarios, our proposed methods demonstrate a 16% throughput improvement over the 1F1B baseline for large language models.

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example x, training set S, and learning algorithm, a datamodel is a parameterized function 2^S to R that for any subset of S' subset S -- using only information about which examples of S are contained in S' -- predicts the outcome of training a model on S' and evaluating on x. Despite the potential complexity of the underlying process being approximated (e.g., end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels can successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. Data for this paper (including pre-computed datamodels as well as raw predictions from four million trained deep neural networks) is available at https://github.com/MadryLab/datamodels-data .

Reinforcement learning (RL) has shown promise in creating robust policies for robotics tasks. However, contemporary RL algorithms are data-hungry, often requiring billions of environment transitions to train successful policies. This necessitates the use of fast and highly-parallelizable simulators. In addition to speed, such simulators need to model the physics of the robots and their interaction with the environment to a level acceptable for transferring policies learned in simulation to reality. We present QuadSwarm, a fast, reliable simulator for research in single and multi-robot RL for quadrotors that addresses both issues. QuadSwarm, with fast forward-dynamics propagation decoupled from rendering, is designed to be highly parallelizable such that throughput scales linearly with additional compute. It provides multiple components tailored toward multi-robot RL, including diverse training scenarios, and provides domain randomization to facilitate the development and sim2real transfer of multi-quadrotor control policies. Initial experiments suggest that QuadSwarm achieves over 48,500 simulation samples per second (SPS) on a single quadrotor and over 62,000 SPS on eight quadrotors on a 16-core CPU. The code can be found in https://github.com/Zhehui-Huang/quad-swarm-rl.

Spatial reasoning tasks in multi-agent environments such as event prediction, agent type identification, or missing data imputation are important for multiple applications (e.g., autonomous surveillance over sensor networks and subtasks for reinforcement learning (RL)). StarCraft II game replays encode intelligent (and adversarial) multi-agent behavior and could provide a testbed for these tasks; however, extracting simple and standardized representations for prototyping these tasks is laborious and hinders reproducibility. In contrast, MNIST and CIFAR10, despite their extreme simplicity, have enabled rapid prototyping and reproducibility of ML methods. Following the simplicity of these datasets, we construct a benchmark spatial reasoning dataset based on StarCraft II replays that exhibit complex multi-agent behaviors, while still being as easy to use as MNIST and CIFAR10. Specifically, we carefully summarize a window of 255 consecutive game states to create 3.6 million summary images from 60,000 replays, including all relevant metadata such as game outcome and player races. We develop three formats of decreasing complexity: Hyperspectral images that include one channel for every unit type (similar to multispectral geospatial images), RGB images that mimic CIFAR10, and grayscale images that mimic MNIST. We show how this dataset can be used for prototyping spatial reasoning methods. All datasets, code for extraction, and code for dataset loading can be found at https://starcraftdata.davidinouye.com

We introduce a model-based asynchronous multi-fidelity method for hyperparameter and neural architecture search that combines the strengths of asynchronous Hyperband and Gaussian process-based Bayesian optimization. At the heart of our method is a probabilistic model that can simultaneously reason across hyperparameters and resource levels, and supports decision-making in the presence of pending evaluations. We demonstrate the effectiveness of our method on a wide range of challenging benchmarks, for tabular data, image classification and language modelling, and report substantial speed-ups over current state-of-the-art methods. Our new methods, along with asynchronous baselines, are implemented in a distributed framework which will be open sourced along with this publication.

Recent advances in large language models (LLMs) have opened new avenues for applying multi-agent systems in very large-scale simulations. However, there remain several challenges when conducting multi-agent simulations with existing platforms, such as limited scalability and low efficiency, unsatisfied agent diversity, and effort-intensive management processes. To address these challenges, we develop several new features and components for AgentScope, a user-friendly multi-agent platform, enhancing its convenience and flexibility for supporting very large-scale multi-agent simulations. Specifically, we propose an actor-based distributed mechanism as the underlying technological infrastructure towards great scalability and high efficiency, and provide flexible environment support for simulating various real-world scenarios, which enables parallel execution of multiple agents, centralized workflow orchestration, and both inter-agent and agent-environment interactions among agents. Moreover, we integrate an easy-to-use configurable tool and an automatic background generation pipeline in AgentScope, simplifying the process of creating agents with diverse yet detailed background settings. Last but not least, we provide a web-based interface for conveniently monitoring and managing a large number of agents that might deploy across multiple devices. We conduct a comprehensive simulation to demonstrate the effectiveness of the proposed enhancements in AgentScope, and provide detailed observations and discussions to highlight the great potential of applying multi-agent systems in large-scale simulations. The source code is released on GitHub at https://github.com/modelscope/agentscope to inspire further research and development in large-scale multi-agent simulations.

On the way to Exascale, programmers face the increasing challenge of having to support multiple hardware architectures from the same code base. At the same time, portability of code and performance are increasingly difficult to achieve as hardware architectures are becoming more and more diverse. Today's heterogeneous systems often include two or more completely distinct and incompatible hardware execution models, such as GPGPU's, SIMD vector units, and general purpose cores which conventionally have to be programmed using separate tool chains representing non-overlapping programming models. The recent revival of interest in the industry and the wider community for the C++ language has spurred a remarkable amount of standardization proposals and technical specifications in the arena of concurrency and parallelism. This recently includes an increasing amount of discussion around the need for a uniform, higher-level abstraction and programming model for parallelism in the C++ standard targeting heterogeneous and distributed computing. Such an abstraction should perfectly blend with existing, already standardized language and library features, but should also be generic enough to support future hardware developments. In this paper, we present the results from developing such a higher-level programming abstraction for parallelism in C++ which aims at enabling code and performance portability over a wide range of architectures and for various types of parallelism. We present and compare performance data obtained from running the well-known STREAM benchmark ported to our higher level C++ abstraction with the corresponding results from running it natively. We show that our abstractions enable performance at least as good as the comparable base-line benchmarks while providing a uniform programming API on all compared target architectures.

The fundamental success of large language models hinges upon the efficacious implementation of large-scale distributed training techniques. Nevertheless, building a vast, high-performance cluster featuring high-speed communication interconnectivity is prohibitively costly, and accessible only to prominent entities. In this work, we aim to lower this barrier and democratize large-scale training with limited bandwidth clusters. We propose a new approach called CO2 that introduces local-updating and asynchronous communication to the distributed data-parallel training, thereby facilitating the full overlap of COmunication with COmputation. CO2 is able to attain a high scalability even on extensive multi-node clusters constrained by very limited communication bandwidth. We further propose the staleness gap penalty and outer momentum clipping techniques together with CO2 to bolster its convergence and training stability. Besides, CO2 exhibits seamless integration with well-established ZeRO-series optimizers which mitigate memory consumption of model states with large model training. We also provide a mathematical proof of convergence, accompanied by the establishment of a stringent upper bound. Furthermore, we validate our findings through an extensive set of practical experiments encompassing a wide range of tasks in the fields of computer vision and natural language processing. These experiments serve to demonstrate the capabilities of CO2 in terms of convergence, generalization, and scalability when deployed across configurations comprising up to 128 A100 GPUs. The outcomes emphasize the outstanding capacity of CO2 to hugely improve scalability, no matter on clusters with 800Gbps RDMA or 80Gbps TCP/IP inter-node connections.

As inference on Large Language Models (LLMs) emerges as an important workload in machine learning applications, weight quantization has become a standard technique for efficient GPU deployment. Quantization not only reduces model size, but has also been shown to yield substantial speedups for single-user inference, due to reduced memory movement, with low accuracy impact. Yet, it remains open whether speedups are achievable also in batched settings with multiple parallel clients, which are highly relevant for practical serving. It is unclear whether GPU kernels can be designed to remain practically memory-bound, while supporting the substantially increased compute requirements of batched workloads. This paper resolves this question positively by describing the design of Mixed-precision Auto-Regressive LINear kernels, called MARLIN. Concretely, given a model whose weights are compressed via quantization to, e.g., 4 bits per element, MARLIN shows that batchsizes up to 16-32 can be supported with close to maximum (4times) quantization speedup, and larger batchsizes up to 64-128 with gradually decreasing, but still significant, acceleration. MARLIN accomplishes this via a combination of techniques, such as asynchronous memory access, complex task scheduling and pipelining, and bespoke quantization support. Our experiments show that MARLIN's near-optimal performance on individual LLM layers across different scenarios can also lead to end-to-end LLM inference speedups (of up to 2.8times) when integrated with the popular vLLM serving engine. Finally, MARLIN is extensible to further compression techniques, like NVIDIA 2:4 sparsity, leading to additional speedups.

With the increasing scale of models, the need for efficient distributed training has become increasingly urgent. Recently, many synchronous pipeline parallelism approaches have been proposed to improve training throughput. However, these approaches still suffer from two major issues, i.e., pipeline bubbles caused by periodic flushing and extra communication due to the increasing number of pipeline stages. To this end, we propose BitPipe, a bidirectional interleaved pipeline parallelism for accelerating large models training. Specifically, a hybrid scheme of fusing interleaved pipelines with bidirectional pipelines is proposed to reduce the computational time of each single micro-batch and multiply the number of devices executing simultaneously. A V-shaped schedule with eager gradient synchronization is introduced to reduce and overlap the communication between devices. Experiments conducted on up to 32 GPUs show that BitPipe improves the training throughput of GPT-style and BERT-style models by 1.05x-1.28x compared to the state-of-the-art synchronous approaches. The code of our implementation is available at https://github.com/wuhouming/BitPipe.

Large-scale language models have become increasingly challenging and expensive to train. Among various methods addressing this issue, Pipeline Parallelism has been widely employed to accommodate massive model weights within limited GPU memory. This paper introduces Hanayo, a wave-like pipeline parallelism strategy that boasts a concise structure and practical applicability, alongside a high-performance pipeline execution runtime to tackle the challenges of pipeline strategy implementation. Hanayo mitigates the issues of pipeline bubbles and excessive memory consumption prevalent in existing schemes, without resorting to model duplicates as in Chimera. Our evaluation, conducted on four distinct computing clusters and involving both GPT-like and BERT-like architectures with up to 32 GPUs, demonstrates up to a 30.4 \% increase in throughput compared to the state-of-the-art approach.

In domains ranging from computer vision to natural language processing, machine learning models have been shown to exhibit stark disparities, often performing worse for members of traditionally underserved groups. One factor contributing to these performance gaps is a lack of representation in the data the models are trained on. It is often unclear, however, how to operationalize representativeness in specific applications. Here we formalize the problem of creating equitable training datasets, and propose a statistical framework for addressing this problem. We consider a setting where a model builder must decide how to allocate a fixed data collection budget to gather training data from different subgroups. We then frame dataset creation as a constrained optimization problem, in which one maximizes a function of group-specific performance metrics based on (estimated) group-specific learning rates and costs per sample. This flexible approach incorporates preferences of model-builders and other stakeholders, as well as the statistical properties of the learning task. When data collection decisions are made sequentially, we show that under certain conditions this optimization problem can be efficiently solved even without prior knowledge of the learning rates. To illustrate our approach, we conduct a simulation study of polygenic risk scores on synthetic genomic data -- an application domain that often suffers from non-representative data collection. We find that our adaptive sampling strategy outperforms several common data collection heuristics, including equal and proportional sampling, demonstrating the value of strategic dataset design for building equitable models.

Columnar storage is a core component of a modern data analytics system. Although many database management systems (DBMSs) have proprietary storage formats, most provide extensive support to open-source storage formats such as Parquet and ORC to facilitate cross-platform data sharing. But these formats were developed over a decade ago, in the early 2010s, for the Hadoop ecosystem. Since then, both the hardware and workload landscapes have changed. In this paper, we revisit the most widely adopted open-source columnar storage formats (Parquet and ORC) with a deep dive into their internals. We designed a benchmark to stress-test the formats' performance and space efficiency under different workload configurations. From our comprehensive evaluation of Parquet and ORC, we identify design decisions advantageous with modern hardware and real-world data distributions. These include using dictionary encoding by default, favoring decoding speed over compression ratio for integer encoding algorithms, making block compression optional, and embedding finer-grained auxiliary data structures. We also point out the inefficiencies in the format designs when handling common machine learning workloads and using GPUs for decoding. Our analysis identified important considerations that may guide future formats to better fit modern technology trends.

We introduce Breadth-First Pipeline Parallelism, a novel training schedule which optimizes the combination of pipeline and data parallelism. Breadth-First Pipeline Parallelism lowers training time, cost and memory usage by combining a high GPU utilization with a small batch size per GPU, and by making use of fully sharded data parallelism. Experimentally, we observed an increase of up to 43% in training throughput for a 52 billion-parameter model using a small batch size per GPU compared to Megatron-LM, which would reduce the training time and cost by the same amount on a large GPU cluster.

While Large Language Models require more and more data to train and scale, rather than looking for any data to acquire, we should consider what types of tasks are more likely to benefit from data scaling. We should be intentional in our data acquisition. We argue that the topology of data itself informs which tasks to prioritize in data scaling, and shapes the development of the next generation of compute paradigms for tasks where data scaling is inefficient, or even insufficient.

Large transformer models display promising performance on a wide range of natural language processing (NLP) tasks. Although the AI community has expanded the model scale to the trillion parameter level, the practical deployment of 10-100 billion parameter models is still uncertain due to the latency, throughput, and memory constraints. In this paper, we proposed EnergonAI to solve the challenges of the efficient deployment of 10-100 billion parameter transformer models on single- or multi-GPU systems. EnergonAI adopts a hierarchy-controller system architecture to coordinate multiple devices and efficiently support different parallel patterns. It delegates the execution of sub-models to multiple workers in the single-controller style and applies tensor parallelism and pipeline parallelism among the workers in a multi-controller style. Upon the novel architecture, we propose three techniques, i.e. non-blocking pipeline parallelism, distributed redundant computation elimination, and peer memory pooling. EnergonAI enables the users to program complex parallel code the same as a serial one. Compared with the FasterTransformer, we have proven that EnergonAI has superior performance on latency and throughput. In our experiments, EnergonAI can achieve 37% latency reduction in tensor parallelism, 10% scalability improvement in pipeline parallelism, and it improves the model scale inferred on a single GPU by using a larger heterogeneous memory space at cost of limited performance reduction.

Artificial Intelligence (AI) is making a profound impact in almost every domain. A vital enabler of its great success is the availability of abundant and high-quality data for building machine learning models. Recently, the role of data in AI has been significantly magnified, giving rise to the emerging concept of data-centric AI. The attention of researchers and practitioners has gradually shifted from advancing model design to enhancing the quality and quantity of the data. In this survey, we discuss the necessity of data-centric AI, followed by a holistic view of three general data-centric goals (training data development, inference data development, and data maintenance) and the representative methods. We also organize the existing literature from automation and collaboration perspectives, discuss the challenges, and tabulate the benchmarks for various tasks. We believe this is the first comprehensive survey that provides a global view of a spectrum of tasks across various stages of the data lifecycle. We hope it can help the readers efficiently grasp a broad picture of this field, and equip them with the techniques and further research ideas to systematically engineer data for building AI systems. A companion list of data-centric AI resources will be regularly updated on https://github.com/daochenzha/data-centric-AI

Benchmarks play an important role in the development of machine learning algorithms. For example, research in reinforcement learning (RL) has been heavily influenced by available environments and benchmarks. However, RL environments are traditionally run on the CPU, limiting their scalability with typical academic compute. Recent advancements in JAX have enabled the wider use of hardware acceleration to overcome these computational hurdles, enabling massively parallel RL training pipelines and environments. This is particularly useful for multi-agent reinforcement learning (MARL) research. First of all, multiple agents must be considered at each environment step, adding computational burden, and secondly, the sample complexity is increased due to non-stationarity, decentralised partial observability, or other MARL challenges. In this paper, we present JaxMARL, the first open-source code base that combines ease-of-use with GPU enabled efficiency, and supports a large number of commonly used MARL environments as well as popular baseline algorithms. When considering wall clock time, our experiments show that per-run our JAX-based training pipeline is up to 12500x faster than existing approaches. This enables efficient and thorough evaluations, with the potential to alleviate the evaluation crisis of the field. We also introduce and benchmark SMAX, a vectorised, simplified version of the popular StarCraft Multi-Agent Challenge, which removes the need to run the StarCraft II game engine. This not only enables GPU acceleration, but also provides a more flexible MARL environment, unlocking the potential for self-play, meta-learning, and other future applications in MARL. We provide code at https://github.com/flairox/jaxmarl.

The advent of test-time scaling in large language models (LLMs), exemplified by OpenAI's o1 series, has advanced reasoning capabilities by scaling computational resource allocation during inference. While successors like QwQ, Deepseek-R1 (R1) and LIMO replicate these advancements, whether these models truly possess test-time scaling capabilities remains underexplored. This study found that longer CoTs of these o1-like models do not consistently enhance accuracy; in fact, correct solutions are often shorter than incorrect ones for the same questions. Further investigation shows this phenomenon is closely related to models' self-revision capabilities - longer CoTs contain more self-revisions, which often lead to performance degradation. We then compare sequential and parallel scaling strategies on QwQ, R1 and LIMO, finding that parallel scaling achieves better coverage and scalability. Based on these insights, we propose Shortest Majority Vote, a method that combines parallel scaling strategies with CoT length characteristics, significantly improving models' test-time scalability compared to conventional majority voting approaches.

The emergence of large-scale multi-modal generative models has drastically advanced artificial intelligence, introducing unprecedented levels of performance and functionality. However, optimizing these models remains challenging due to historically isolated paths of model-centric and data-centric developments, leading to suboptimal outcomes and inefficient resource utilization. In response, we present a novel sandbox suite tailored for integrated data-model co-development. This sandbox provides a comprehensive experimental platform, enabling rapid iteration and insight-driven refinement of both data and models. Our proposed "Probe-Analyze-Refine" workflow, validated through applications on state-of-the-art LLaVA-like and DiT based models, yields significant performance boosts, such as topping the VBench leaderboard. We also uncover fruitful insights gleaned from exhaustive benchmarks, shedding light on the critical interplay between data quality, diversity, and model behavior. With the hope of fostering deeper understanding and future progress in multi-modal data and generative modeling, our codes, datasets, and models are maintained and accessible at https://github.com/modelscope/data-juicer/blob/main/docs/Sandbox.md.

Pipeline parallelism (PP) is widely used for training large language models (LLMs), yet its scalability is often constrained by high activation memory consumption as the number of in-flight microbatches grows with the degree of PP. In this paper, we focus on addressing this challenge by leveraging the under-explored memory offload strategy in PP. With empirical study, we discover that in the majority of standard configurations, at least half, and potentially all, of the activations can be offloaded with negligible overhead. In the cases where full overload is not possible, we introduce a novel selective offload strategy that decreases peak activation memory in a better-than-linear manner. Furthermore, we integrate memory offload with other techniques to jointly consider overall throughput and memory limitation. Our experiments proves that the per-device activation memory effectively reduces with the total number of stages, making PP a stronger alternative than TP, offering up to a 19\% acceleration with even lower memory consumption. The implementation is open-sourced at https://github.com/sail-sg/zero-bubble-pipeline-parallelism{this url}.

Large language models (LLMs) have demonstrated strong capabilities across various language tasks, notably through instruction-tuning methods. However, LLMs face challenges in visualizing complex, real-world data through charts and plots. Firstly, existing datasets rarely cover a full range of chart types, such as 3D, volumetric, and gridded charts. Secondly, supervised fine-tuning methods do not fully leverage the intricate relationships within rich datasets, including text, code, and figures. To address these challenges, we propose a hierarchical pipeline and a new dataset for chart generation. Our dataset, Text2Chart31, includes 31 unique plot types referring to the Matplotlib library, with 11.1K tuples of descriptions, code, data tables, and plots. Moreover, we introduce a reinforcement learning-based instruction tuning technique for chart generation tasks without requiring human feedback. Our experiments show that this approach significantly enhances the model performance, enabling smaller models to outperform larger open-source models and be comparable to state-of-the-art proprietary models in data visualization tasks. We make the code and dataset available at https://github.com/fatemehpesaran310/Text2Chart31.

Recent hardware developments have dramatically increased the scale of data parallelism available for neural network training. Among the simplest ways to harness next-generation hardware is to increase the batch size in standard mini-batch neural network training algorithms. In this work, we aim to experimentally characterize the effects of increasing the batch size on training time, as measured by the number of steps necessary to reach a goal out-of-sample error. We study how this relationship varies with the training algorithm, model, and data set, and find extremely large variation between workloads. Along the way, we show that disagreements in the literature on how batch size affects model quality can largely be explained by differences in metaparameter tuning and compute budgets at different batch sizes. We find no evidence that larger batch sizes degrade out-of-sample performance. Finally, we discuss the implications of our results on efforts to train neural networks much faster in the future. Our experimental data is publicly available as a database of 71,638,836 loss measurements taken over the course of training for 168,160 individual models across 35 workloads.

Large Language Models (LLMs) have recently shown promise in streamlining hardware design processes by encapsulating vast amounts of domain-specific data. In addition, they allow users to interact with the design processes through natural language instructions, thus making hardware design more accessible to developers. However, effectively leveraging LLMs in hardware design necessitates providing domain-specific data during inference (e.g., through in-context learning), fine-tuning, or pre-training. Unfortunately, existing publicly available hardware datasets are often limited in size, complexity, or detail, which hinders the effectiveness of LLMs in hardware design tasks. To address this issue, we first propose a set of criteria for creating high-quality hardware datasets that can effectively enhance LLM-assisted hardware design. Based on these criteria, we propose a Multi-Grained-Verilog (MG-Verilog) dataset, which encompasses descriptions at various levels of detail and corresponding code samples. To benefit the broader hardware design community, we have developed an open-source infrastructure that facilitates easy access, integration, and extension of the dataset to meet specific project needs. Furthermore, to fully exploit the potential of the MG-Verilog dataset, which varies in complexity and detail, we introduce a balanced fine-tuning scheme. This scheme serves as a unique use case to leverage the diverse levels of detail provided by the dataset. Extensive experiments demonstrate that the proposed dataset and fine-tuning scheme consistently improve the performance of LLMs in hardware design tasks.

Inspired by the principle of deliberate practice in human learning, we propose Deliberate Practice for Synthetic Data Generation (DP), a novel framework that improves sample efficiency through dynamic synthetic data generation. Prior work has shown that scaling synthetic data is inherently challenging, as naively adding new data leads to diminishing returns. To address this, pruning has been identified as a key mechanism for improving scaling, enabling models to focus on the most informative synthetic samples. Rather than generating a large dataset and pruning it afterward, DP efficiently approximates the direct generation of informative samples. We theoretically show how training on challenging, informative examples improves scaling laws and empirically validate that DP achieves better scaling performance with significantly fewer training samples and iterations. On ImageNet-100, DP generates 3.4x fewer samples and requires six times fewer iterations, while on ImageNet-1k, it generates 8x fewer samples with a 30 percent reduction in iterations, all while achieving superior performance compared to prior work.

This research delves into the construction and utilization of synthetic datasets, specifically within the telematics sphere, leveraging OpenAI's powerful language model, ChatGPT. Synthetic datasets present an effective solution to challenges pertaining to data privacy, scarcity, and control over variables - characteristics that make them particularly valuable for research pursuits. The utility of these datasets, however, largely depends on their quality, measured through the lenses of diversity, relevance, and coherence. To illustrate this data creation process, a hands-on case study is conducted, focusing on the generation of a synthetic telematics dataset. The experiment involved an iterative guidance of ChatGPT, progressively refining prompts and culminating in the creation of a comprehensive dataset for a hypothetical urban planning scenario in Columbus, Ohio. Upon generation, the synthetic dataset was subjected to an evaluation, focusing on the previously identified quality parameters and employing descriptive statistics and visualization techniques for a thorough analysis. Despite synthetic datasets not serving as perfect replacements for actual world data, their potential in specific use-cases, when executed with precision, is significant. This research underscores the potential of AI models like ChatGPT in enhancing data availability for complex sectors like telematics, thus paving the way for a myriad of new research opportunities.

As large language models (LLMs) become widespread in various application domains, a critical challenge the AI community is facing is how to train these large AI models in a cost-effective manner. Existing LLM training plans typically employ a heuristic based parallel training strategy which is based on empirical observations rather than grounded upon a thorough examination of the search space of LLM parallelization. Such limitation renders existing systems to leave significant performance left on the table, wasting millions of dollars worth of training cost. This paper presents our profiling-driven simulator called vTrain, providing AI practitioners a fast yet accurate software framework to determine an efficient and cost-effective LLM training system configuration. We demonstrate vTrain's practicality through several case studies, e.g., effectively evaluating optimal training parallelization strategies that balances training time and its associated training cost, efficient multi-tenant GPU cluster schedulers targeting multiple LLM training jobs, and determining a compute-optimal LLM model architecture given a fixed compute budget.

Irregularly sampled time series data arise naturally in many application domains including biology, ecology, climate science, astronomy, and health. Such data represent fundamental challenges to many classical models from machine learning and statistics due to the presence of non-uniform intervals between observations. However, there has been significant progress within the machine learning community over the last decade on developing specialized models and architectures for learning from irregularly sampled univariate and multivariate time series data. In this survey, we first describe several axes along which approaches to learning from irregularly sampled time series differ including what data representations they are based on, what modeling primitives they leverage to deal with the fundamental problem of irregular sampling, and what inference tasks they are designed to perform. We then survey the recent literature organized primarily along the axis of modeling primitives. We describe approaches based on temporal discretization, interpolation, recurrence, attention and structural invariance. We discuss similarities and differences between approaches and highlight primary strengths and weaknesses.

The development of Machine Learning (ML) methods for Computational Fluid Dynamics (CFD) is currently limited by the lack of openly available training data. This paper presents a new open-source dataset comprising of high fidelity, scale-resolving CFD simulations of 500 geometric variations of the Ahmed Car Body - a simplified car-like shape that exhibits many of the flow topologies that are present on bluff bodies such as road vehicles. The dataset contains simulation results that exhibit a broad set of fundamental flow physics such as geometry and pressure-induced flow separation as well as 3D vortical structures. Each variation of the Ahmed car body were run using a high-fidelity, time-accurate, hybrid Reynolds-Averaged Navier-Stokes (RANS) - Large-Eddy Simulation (LES) turbulence modelling approach using the open-source CFD code OpenFOAM. The dataset contains boundary, volume, geometry, and time-averaged forces/moments in widely used open-source formats. In addition, the OpenFOAM case setup is provided so that others can reproduce or extend the dataset. This represents to the authors knowledge, the first open-source large-scale dataset using high-fidelity CFD methods for the widely used Ahmed car body that is available to freely download with a permissive license (CC-BY-SA).

Recent advancements in Chain-of-Thoughts (CoT) and Program-of-Thoughts (PoT) methods have greatly enhanced language models' mathematical reasoning capabilities, facilitating their integration into instruction tuning datasets with LLMs. However, existing methods for large-scale dataset creation require substantial seed data and high computational costs for data synthesis, posing significant challenges for scalability. We introduce InfinityMATH, a scalable instruction tuning dataset for programmatic mathematical reasoning. The construction pipeline emphasizes decoupling numbers from mathematical problems to synthesize number-independent programs, enabling efficient and flexible scaling while minimizing dependency on specific numerical values. Fine-tuning experiments with open-source language and code models, such as Llama2 and CodeLlama, demonstrate the practical benefits of InfinityMATH. These fine-tuned models, showed significant relative improvements on both in-domain and out-of-domain benchmarks, ranging from 184.7% to 514.3% on average. Additionally, these models exhibited high robustness on the GSM8K+ and MATH+ benchmarks, which are enhanced version of test sets with simply the number variations. InfinityMATH ensures that models are more versatile and effective across a broader range of mathematical problems. The data is available at https://huggingface.co/datasets/flagopen/InfinityMATH.

With the advent of deep learning, neural network-based recommendation models have emerged as an important tool for tackling personalization and recommendation tasks. These networks differ significantly from other deep learning networks due to their need to handle categorical features and are not well studied or understood. In this paper, we develop a state-of-the-art deep learning recommendation model (DLRM) and provide its implementation in both PyTorch and Caffe2 frameworks. In addition, we design a specialized parallelization scheme utilizing model parallelism on the embedding tables to mitigate memory constraints while exploiting data parallelism to scale-out compute from the fully-connected layers. We compare DLRM against existing recommendation models and characterize its performance on the Big Basin AI platform, demonstrating its usefulness as a benchmark for future algorithmic experimentation and system co-design.

Scaling data and compute is critical to the success of machine learning. However, scaling demands predictability: we want methods to not only perform well with more compute or data, but also have their performance be predictable from small-scale runs, without running the large-scale experiment. In this paper, we show that value-based off-policy RL methods are predictable despite community lore regarding their pathological behavior. First, we show that data and compute requirements to attain a given performance level lie on a Pareto frontier, controlled by the updates-to-data (UTD) ratio. By estimating this frontier, we can predict this data requirement when given more compute, and this compute requirement when given more data. Second, we determine the optimal allocation of a total resource budget across data and compute for a given performance and use it to determine hyperparameters that maximize performance for a given budget. Third, this scaling behavior is enabled by first estimating predictable relationships between hyperparameters, which is used to manage effects of overfitting and plasticity loss unique to RL. We validate our approach using three algorithms: SAC, BRO, and PQL on DeepMind Control, OpenAI gym, and IsaacGym, when extrapolating to higher levels of data, compute, budget, or performance.

Developing an educational test can be expensive and time-consuming, as each item must be written by experts and then evaluated by collecting hundreds of student responses. Moreover, many tests require multiple distinct sets of questions administered throughout the school year to closely monitor students' progress, known as parallel tests. In this study, we focus on tests of silent sentence reading efficiency, used to assess students' reading ability over time. To generate high-quality parallel tests, we propose to fine-tune large language models (LLMs) to simulate how previous students would have responded to unseen items. With these simulated responses, we can estimate each item's difficulty and ambiguity. We first use GPT-4 to generate new test items following a list of expert-developed rules and then apply a fine-tuned LLM to filter the items based on criteria from psychological measurements. We also propose an optimal-transport-inspired technique for generating parallel tests and show the generated tests closely correspond to the original test's difficulty and reliability based on crowdworker responses. Our evaluation of a generated test with 234 students from grades 2 to 8 produces test scores highly correlated (r=0.93) to those of a standard test form written by human experts and evaluated across thousands of K-12 students.

Vision-language models (VLMs) are trained for thousands of GPU hours on carefully curated web datasets. In recent times, data curation has gained prominence with several works developing strategies to retain 'high-quality' subsets of 'raw' scraped data. For instance, the LAION public dataset retained only 10% of the total crawled data. However, these strategies are typically developed agnostic of the available compute for training. In this paper, we first demonstrate that making filtering decisions independent of training compute is often suboptimal: the limited high-quality data rapidly loses its utility when repeated, eventually requiring the inclusion of 'unseen' but 'lower-quality' data. To address this quality-quantity tradeoff (QQT), we introduce neural scaling laws that account for the non-homogeneous nature of web data, an angle ignored in existing literature. Our scaling laws (i) characterize the differing 'utility' of various quality subsets of web data; (ii) account for how utility diminishes for a data point at its 'nth' repetition; and (iii) formulate the mutual interaction of various data pools when combined, enabling the estimation of model performance on a combination of multiple data pools without ever jointly training on them. Our key message is that data curation cannot be agnostic of the total compute that a model will be trained for. Our scaling laws allow us to curate the best possible pool for achieving top performance on Datacomp at various compute budgets, carving out a pareto-frontier for data curation. Code is available at https://github.com/locuslab/scaling_laws_data_filtering.

The immense evolution in Large Language Models (LLMs) has underscored the importance of massive, diverse, and high-quality data. Despite this, existing open-source tools for LLM data processing remain limited and mostly tailored to specific datasets, with an emphasis on the reproducibility of released data over adaptability and usability, inhibiting potential applications. In response, we propose a one-stop, powerful yet flexible and user-friendly LLM data processing system named Data-Juicer. Our system offers over 50 built-in versatile operators and pluggable tools, which synergize modularity, composability, and extensibility dedicated to diverse LLM data processing needs. By incorporating visualized and automatic evaluation capabilities, Data-Juicer enables a timely feedback loop to accelerate data processing and gain data insights. To enhance usability, Data-Juicer provides out-of-the-box components for users with various backgrounds, and fruitful data recipes for LLM pre-training and post-tuning usages. Further, we employ multi-facet system optimization and seamlessly integrate Data-Juicer with both LLM and distributed computing ecosystems, to enable efficient and scalable data processing. Empirical validation of the generated data recipes reveals considerable improvements in LLaMA performance for various pre-training and post-tuning cases, demonstrating up to 7.45% relative improvement of averaged score across 16 LLM benchmarks and 16.25% higher win rate using pair-wise GPT-4 evaluation. The system's efficiency and scalability are also validated, supported by up to 88.7% reduction in single-machine processing time, 77.1% and 73.1% less memory and CPU usage respectively, and 7.91x processing acceleration when utilizing distributed computing ecosystems. Our system, data recipes, and multiple tutorial demos are released, calling for broader research centered on LLM data.

The offline reinforcement learning (RL) setting (also known as full batch RL), where a policy is learned from a static dataset, is compelling as progress enables RL methods to take advantage of large, previously-collected datasets, much like how the rise of large datasets has fueled results in supervised learning. However, existing online RL benchmarks are not tailored towards the offline setting and existing offline RL benchmarks are restricted to data generated by partially-trained agents, making progress in offline RL difficult to measure. In this work, we introduce benchmarks specifically designed for the offline setting, guided by key properties of datasets relevant to real-world applications of offline RL. With a focus on dataset collection, examples of such properties include: datasets generated via hand-designed controllers and human demonstrators, multitask datasets where an agent performs different tasks in the same environment, and datasets collected with mixtures of policies. By moving beyond simple benchmark tasks and data collected by partially-trained RL agents, we reveal important and unappreciated deficiencies of existing algorithms. To facilitate research, we have released our benchmark tasks and datasets with a comprehensive evaluation of existing algorithms, an evaluation protocol, and open-source examples. This serves as a common starting point for the community to identify shortcomings in existing offline RL methods and a collaborative route for progress in this emerging area.

Large Language Models (LLMs) and Large Vision-Language Models (LVLMs) have demonstrated impressive language/vision reasoning abilities, igniting the recent trend of building agents for targeted applications such as shopping assistants or AI software engineers. Recently, many data science benchmarks have been proposed to investigate their performance in the data science domain. However, existing data science benchmarks still fall short when compared to real-world data science applications due to their simplified settings. To bridge this gap, we introduce DSBench, a comprehensive benchmark designed to evaluate data science agents with realistic tasks. This benchmark includes 466 data analysis tasks and 74 data modeling tasks, sourced from Eloquence and Kaggle competitions. DSBench offers a realistic setting by encompassing long contexts, multimodal task backgrounds, reasoning with large data files and multi-table structures, and performing end-to-end data modeling tasks. Our evaluation of state-of-the-art LLMs, LVLMs, and agents shows that they struggle with most tasks, with the best agent solving only 34.12% of data analysis tasks and achieving a 34.74% Relative Performance Gap (RPG). These findings underscore the need for further advancements in developing more practical, intelligent, and autonomous data science agents.

Decoding methods for large language models often trade-off between diversity of outputs and parallelism of computation. Methods such as beam search and Gumbel top-k sampling can guarantee a different output for each element of the beam, but are not easy to parallelize. Alternatively, methods such as temperature sampling and its modifications (top-k sampling, nucleus sampling, typical decoding, and others), are embarrassingly parallel, but have no guarantees about duplicate samples. We present a framework for sampling according to an arithmetic code book implicitly defined by a large language model, compatible with common sampling variations, with provable beam diversity under certain conditions, as well as being embarrassingly parallel and providing unbiased and consistent expectations from the original model. We demonstrate the effectiveness of our approach on WMT machine translation, more than halving the standard deviation when estimating expected BLEU score reward, and closing the BLEU score gap between independent sampling and beam search by up to 63%.

Large deep learning models offer significant accuracy gains, but training billions to trillions of parameters is challenging. Existing solutions such as data and model parallelisms exhibit fundamental limitations to fit these models into limited device memory, while obtaining computation, communication and development efficiency. We develop a novel solution, Zero Redundancy Optimizer (ZeRO), to optimize memory, vastly improving training speed while increasing the model size that can be efficiently trained. ZeRO eliminates memory redundancies in data- and model-parallel training while retaining low communication volume and high computational granularity, allowing us to scale the model size proportional to the number of devices with sustained high efficiency. Our analysis on memory requirements and communication volume demonstrates: ZeRO has the potential to scale beyond 1 Trillion parameters using today's hardware. We implement and evaluate ZeRO: it trains large models of over 100B parameter with super-linear speedup on 400 GPUs, achieving throughput of 15 Petaflops. This represents an 8x increase in model size and 10x increase in achievable performance over state-of-the-art. In terms of usability, ZeRO can train large models of up to 13B parameters (e.g., larger than Megatron GPT 8.3B and T5 11B) without requiring model parallelism which is harder for scientists to apply. Last but not the least, researchers have used the system breakthroughs of ZeRO to create the world's largest language model (Turing-NLG, 17B parameters) with record breaking accuracy.

Inference of Large Language Models (LLMs) across computer clusters has become a focal point of research in recent times, with many acceleration techniques taking inspiration from CPU speculative execution. These techniques reduce bottlenecks associated with memory bandwidth, but also increase end-to-end latency per inference run, requiring high speculation acceptance rates to improve performance. Combined with a variable rate of acceptance across tasks, speculative inference techniques can result in reduced performance. Additionally, pipeline-parallel designs require many user requests to maintain maximum utilization. As a remedy, we propose PipeInfer, a pipelined speculative acceleration technique to reduce inter-token latency and improve system utilization for single-request scenarios while also improving tolerance to low speculation acceptance rates and low-bandwidth interconnects. PipeInfer exhibits up to a 2.15times improvement in generation speed over standard speculative inference. PipeInfer achieves its improvement through Continuous Asynchronous Speculation and Early Inference Cancellation, the former improving latency and generation speed by running single-token inference simultaneously with several speculative runs, while the latter improves speed and latency by skipping the computation of invalidated runs, even in the middle of inference.

Data science and engineering workflows often span multiple stages, from warehousing to orchestration, using tools like BigQuery, dbt, and Airbyte. As vision language models (VLMs) advance in multimodal understanding and code generation, VLM-based agents could potentially automate these workflows by generating SQL queries, Python code, and GUI operations. This automation can improve the productivity of experts while democratizing access to large-scale data analysis. In this paper, we introduce Spider2-V, the first multimodal agent benchmark focusing on professional data science and engineering workflows, featuring 494 real-world tasks in authentic computer environments and incorporating 20 enterprise-level professional applications. These tasks, derived from real-world use cases, evaluate the ability of a multimodal agent to perform data-related tasks by writing code and managing the GUI in enterprise data software systems. To balance realistic simulation with evaluation simplicity, we devote significant effort to developing automatic configurations for task setup and carefully crafting evaluation metrics for each task. Furthermore, we supplement multimodal agents with comprehensive documents of these enterprise data software systems. Our empirical evaluation reveals that existing state-of-the-art LLM/VLM-based agents do not reliably automate full data workflows (14.0% success). Even with step-by-step guidance, these agents still underperform in tasks that require fine-grained, knowledge-intensive GUI actions (16.2%) and involve remote cloud-hosted workspaces (10.6%). We hope that Spider2-V paves the way for autonomous multimodal agents to transform the automation of data science and engineering workflow. Our code and data are available at https://spider2-v.github.io.

This paper presents a comprehensive overview of the data preparation pipeline developed for the OpenGPT-X project, a large-scale initiative aimed at creating open and high-performance multilingual large language models (LLMs). The project goal is to deliver models that cover all major European languages, with a particular focus on real-world applications within the European Union. We explain all data processing steps, starting with the data selection and requirement definition to the preparation of the final datasets for model training. We distinguish between curated data and web data, as each of these categories is handled by distinct pipelines, with curated data undergoing minimal filtering and web data requiring extensive filtering and deduplication. This distinction guided the development of specialized algorithmic solutions for both pipelines. In addition to describing the processing methodologies, we provide an in-depth analysis of the datasets, increasing transparency and alignment with European data regulations. Finally, we share key insights and challenges faced during the project, offering recommendations for future endeavors in large-scale multilingual data preparation for LLMs.

Sequence parallelism (SP), which divides the sequence dimension of input tensors across multiple computational devices, is becoming key to unlocking the long-context capabilities of generative AI models. This paper investigates the state-of-the-art SP approaches, i.e. DeepSpeed-Ulysses and Ring-Attention, and proposes a unified SP approach, which is more robust to transformer model architectures and network hardware topology. This paper compares the communication and memory cost of SP and existing parallelism, including data/tensor/zero/expert/pipeline parallelism, and discusses the best practices for designing hybrid 4D parallelism involving SP. We achieved 86% MFU on two 8xA800 nodes using SP for sequence length 208K for the LLAMA3-8B model. Our code is publicly available on https://github.com/feifeibear/long-context-attention.

This paper provides a taxonomy for the licensing of data in the fields of artificial intelligence and machine learning. The paper's goal is to build towards a common framework for data licensing akin to the licensing of open source software. Increased transparency and resolving conceptual ambiguities in existing licensing language are two noted benefits of the approach proposed in the paper. In parallel, such benefits may help foster fairer and more efficient markets for data through bringing about clearer tools and concepts that better define how data can be used in the fields of AI and ML. The paper's approach is summarized in a new family of data license language - the Montreal Data License (MDL). Alongside this new license, the authors and their collaborators have developed a web-based tool to generate license language espousing the taxonomies articulated in this paper.

In this work, we propose a framework that constructs reduced order models for nonlinear structural mechanics in a nonintrusive fashion, and can handle large scale simulations. We identify three steps that are carried out separately in time, and possibly on different devices: (i) the production of high-fidelity solutions by a commercial software, (ii) the offline stage of the model reduction and (iii) the online stage where the reduced order model is exploited. The nonintrusivity assumes that only the displacement field solution is known, and relies on operations on simulation data during the offline phase by using an in-house code. The compatibility with a new commercial code only needs the implementation of a routine converting the mesh and result format into our in-house data format. The nonintrusive capabilities of the framework are demonstrated on numerical experiments using commercial versions of the finite element softwares Zset and Ansys Mechanical. The nonlinear constitutive equations are evaluated by using the same external plugins as for Zset or Ansys Mechanical. The large scale simulations are handled using domain decomposition and parallel computing with distributed memory. The features and performances of the framework are evaluated on two numerical applications involving elastoviscoplastic materials: the second one involves a model of high-pressure blade, where the framework is used to extrapolate cyclic loadings in 6.5 hours, whereas the reference high-fidelity computation would take 9.5 days.

Large language model inference is both memory-intensive and time-consuming, often requiring distributed algorithms to efficiently scale. Various model parallelism strategies are used in multi-gpu training and inference to partition computation across multiple devices, reducing memory load and computation time. However, using model parallelism necessitates communication of information between GPUs, which has been a major bottleneck and limits the gains obtained by scaling up the number of devices. We introduce Ladder Residual, a simple architectural modification applicable to all residual-based models that enables straightforward overlapping that effectively hides the latency of communication. Our insight is that in addition to systems optimization, one can also redesign the model architecture to decouple communication from computation. While Ladder Residual can allow communication-computation decoupling in conventional parallelism patterns, we focus on Tensor Parallelism in this paper, which is particularly bottlenecked by its heavy communication. For a Transformer model with 70B parameters, applying Ladder Residual to all its layers can achieve 30% end-to-end wall clock speed up at inference time with TP sharding over 8 devices. We refer the resulting Transformer model as the Ladder Transformer. We train a 1B and 3B Ladder Transformer from scratch and observe comparable performance to a standard dense transformer baseline. We also show that it is possible to convert parts of the Llama-3.1 8B model to our Ladder Residual architecture with minimal accuracy degradation by only retraining for 3B tokens.

Communication-reduction techniques are a popular way to improve scalability in data-parallel training of deep neural networks (DNNs). The recent emergence of large language models such as GPT has created the need for new approaches to exploit data-parallelism. Among these, fully-sharded data parallel (FSDP) training is highly popular, yet it still encounters scalability bottlenecks. One reason is that applying compression techniques to FSDP is challenging: as the vast majority of the communication involves the model's weights, direct compression alters convergence and leads to accuracy loss. We present QSDP, a variant of FSDP which supports both gradient and weight quantization with theoretical guarantees, is simple to implement and has essentially no overheads. To derive QSDP we prove that a natural modification of SGD achieves convergence even when we only maintain quantized weights, and thus the domain over which we train consists of quantized points and is, therefore, highly non-convex. We validate this approach by training GPT-family models with up to 1.3 billion parameters on a multi-node cluster. Experiments show that QSDP preserves model accuracy, while completely removing the communication bottlenecks of FSDP, providing end-to-end speedups of up to 2.2x.

Recent methods such as Score Distillation Sampling (SDS) and Variational Score Distillation (VSD) using 2D diffusion models for text-to-3D generation have demonstrated impressive generation quality. However, the long generation time of such algorithms significantly degrades the user experience. To tackle this problem, we propose DreamPropeller, a drop-in acceleration algorithm that can be wrapped around any existing text-to-3D generation pipeline based on score distillation. Our framework generalizes Picard iterations, a classical algorithm for parallel sampling an ODE path, and can account for non-ODE paths such as momentum-based gradient updates and changes in dimensions during the optimization process as in many cases of 3D generation. We show that our algorithm trades parallel compute for wallclock time and empirically achieves up to 4.7x speedup with a negligible drop in generation quality for all tested frameworks.

Large Language Models (LLMs) inherently use autoregressive decoding, which lacks parallelism in inference and results in significantly slow inference speeds, especially when hardware parallel accelerators and memory bandwidth are not fully utilized. In this work, we propose Amphista, a speculative decoding algorithm that adheres to a non-autoregressive decoding paradigm. Owing to the increased parallelism, our method demonstrates higher efficiency in inference compared to autoregressive methods. Specifically, Amphista models an Auto-embedding Block capable of parallel inference, incorporating bi-directional attention to enable interaction between different drafting heads. Additionally, Amphista implements Staged Adaptation Layers to facilitate the transition of semantic information from the base model's autoregressive inference to the drafting heads' non-autoregressive speculation, thereby achieving paradigm transformation and feature fusion. We conduct a series of experiments on a suite of Vicuna models using MT-Bench and Spec-Bench. For the Vicuna 33B model, Amphista achieves up to 2.75times and 1.40times wall-clock acceleration compared to vanilla autoregressive decoding and Medusa, respectively, while preserving lossless generation quality.

This paper presents our approach to accelerate computer architecture simulation by leveraging machine learning techniques. Traditional computer architecture simulations are time-consuming, making it challenging to explore different design choices efficiently. Our proposed model utilizes a combination of application features and micro-architectural features to predict the performance of an application. These features are derived from simulations of a small portion of the application. We demonstrate the effectiveness of our approach by building and evaluating a machine learning model that offers significant speedup in architectural exploration. This model demonstrates the ability to predict IPC values for the testing data with a root mean square error of less than 0.1.

Deep learning frameworks such as TensorFlow and PyTorch provide a productive interface for expressing and training a deep neural network (DNN) model on a single device or using data parallelism. Still, they may not be flexible or efficient enough in training emerging large models on distributed devices, which require more sophisticated parallelism beyond data parallelism. Plugins or wrappers have been developed to strengthen these frameworks for model or pipeline parallelism, but they complicate the usage and implementation of distributed deep learning. Aiming at a simple, neat redesign of distributed deep learning frameworks for various parallelism paradigms, we present OneFlow, a novel distributed training framework based on an SBP (split, broadcast and partial-value) abstraction and the actor model. SBP enables much easier programming of data parallelism and model parallelism than existing frameworks, and the actor model provides a succinct runtime mechanism to manage the complex dependencies imposed by resource constraints, data movement and computation in distributed deep learning. We demonstrate the general applicability and efficiency of OneFlow for training various large DNN models with case studies and extensive experiments. The results show that OneFlow outperforms many well-known customized libraries built on top of the state-of-the-art frameworks. The code of OneFlow is available at: https://github.com/Oneflow-Inc/oneflow.

Simulation is an essential tool to develop and benchmark autonomous vehicle planning software in a safe and cost-effective manner. However, realistic simulation requires accurate modeling of nuanced and complex multi-agent interactive behaviors. To address these challenges, we introduce Waymax, a new data-driven simulator for autonomous driving in multi-agent scenes, designed for large-scale simulation and testing. Waymax uses publicly-released, real-world driving data (e.g., the Waymo Open Motion Dataset) to initialize or play back a diverse set of multi-agent simulated scenarios. It runs entirely on hardware accelerators such as TPUs/GPUs and supports in-graph simulation for training, making it suitable for modern large-scale, distributed machine learning workflows. To support online training and evaluation, Waymax includes several learned and hard-coded behavior models that allow for realistic interaction within simulation. To supplement Waymax, we benchmark a suite of popular imitation and reinforcement learning algorithms with ablation studies on different design decisions, where we highlight the effectiveness of routes as guidance for planning agents and the ability of RL to overfit against simulated agents.

Training transformer models requires substantial GPU compute and memory resources. In homogeneous clusters, distributed strategies allocate resources evenly, but this approach is inefficient for heterogeneous clusters, where GPUs differ in power and memory. As high-end GPUs are costly and limited in availability, heterogeneous clusters with diverse GPU types are becoming more common. Existing methods attempt to balance compute across GPUs based on capacity but often underutilize compute due to memory constraints. We present Cephalo, a system that optimizes compute and memory usage by decoupling compute distribution from training state assignment. Cephalo outperforms state-of-the-art methods by achieving significantly higher training throughput while supporting larger models and batch sizes.

Acceleration of graph applications on GPUs has found large interest due to the ubiquitous use of graph processing in various domains. The inherent irregularity in graph applications leads to several challenges for parallelization. A key challenge, which we address in this paper, is that of load-imbalance. If the work-assignment to threads uses node-based graph partitioning, it can result in skewed task-distribution, leading to poor load-balance. In contrast, if the work-assignment uses edge-based graph partitioning, the load-balancing is better, but the memory requirement is relatively higher. This makes it unsuitable for large graphs. In this work, we propose three techniques for improved load-balancing of graph applications on GPUs. Each technique brings in unique advantages, and a user may have to employ a specific technique based on the requirement. Using Breadth First Search and Single Source Shortest Paths as our processing kernels, we illustrate the effectiveness of each of the proposed techniques in comparison to the existing node-based and edge-based mechanisms.

The aim of this study is to develop surrogate models for quick, accurate prediction of thrust forces generated through flapping fin propulsion for given operating conditions and fin geometries. Different network architectures and configurations are explored to model the training data separately for the lead fin and rear fin of a tandem fin setup. We progressively improve the data representation of the input parameter space for model predictions. The models are tested on three unseen fin geometries and the predictions validated with computational fluid dynamics (CFD) data. Finally, the orders of magnitude gains in computational performance of these surrogate models, compared to experimental and CFD runs, vs their tradeoff with accuracy is discussed within the context of this tandem fin configuration.

We evaluate AI-assisted generative capabilities on fundamental numerical kernels in high-performance computing (HPC), including AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG. We test the generated kernel codes for a variety of language-supported programming models, including (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numba, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). We use the GitHub Copilot capabilities powered by OpenAI Codex available in Visual Studio Code as of April 2023 to generate a vast amount of implementations given simple <kernel> + <programming model> + <optional hints> prompt variants. To quantify and compare the results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. Results suggest that the OpenAI Codex outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general-purpose Python can benefit from adding code keywords, while Julia prompts perform acceptably well for its mature programming models (e.g., Threads and CUDA.jl). We expect for these benchmarks to provide a point of reference for each programming model's community. Overall, understanding the convergence of large language models, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

Tabular data is hard to acquire and is subject to missing values. This paper proposes a novel approach to generate and impute mixed-type (continuous and categorical) tabular data using score-based diffusion and conditional flow matching. Contrary to previous work that relies on neural networks as function approximators, we instead utilize XGBoost, a popular Gradient-Boosted Tree (GBT) method. In addition to being elegant, we empirically show on various datasets that our method i) generates highly realistic synthetic data when the training dataset is either clean or tainted by missing data and ii) generates diverse plausible data imputations. Our method often outperforms deep-learning generation methods and can trained in parallel using CPUs without the need for a GPU. To make it easily accessible, we release our code through a Python library on PyPI and an R package on CRAN.

Mixture-of-Experts (MoE) has emerged as a promising sparse paradigm for scaling up pre-trained models (PTMs) with remarkable cost-effectiveness. However, the dynamic nature of MoE leads to rapid fluctuations and imbalances in expert loads during training, resulting in significant straggler effects that hinder training performance when using expert parallelism (EP). Existing MoE training systems attempt to mitigate these effects through expert rearrangement strategies, but they face challenges in terms of memory efficiency and timeliness of rearrangement. This paper proposes Fully Sharded Sparse Data Parallelism (FSSDP), an innovative approach that tackles the parallelization of MoE layers and potential straggler effects caused by imbalanced expert loads from a new perspective. FSSDP fully shards the parameters and optimizer states of MoE layers across devices and sparsely materializes MoE parameters from scratch in each iteration with two sparse collectives SparseAllGather and SparseReduceScatter. We build Hecate, a high-performance MoE training system that incorporates FSSDP to fully unlock its potential. Hecate introduces heterogeneous sharding, sparse materialization, and re-materialization techniques to construct flexible and efficient expert placements with low memory and communication overhead. Our evaluation reveals that Hecate achieves up to 3.54x speedup compared over state-of-the-art MoE training systems and consistently demonstrates improvements across model architectures and hardware environments.

Learning and Artificial Intelligence (ML/AI) techniques have become increasingly prevalent in high performance computing (HPC). However, these methods depend on vast volumes of floating point data for training and validation which need methods to share the data on a wide area network (WAN) or to transfer it from edge devices to data centers. Data compression can be a solution to these problems, but an in-depth understanding of how lossy compression affects model quality is needed. Prior work largely considers a single application or compression method. We designed a systematic methodology for evaluating data reduction techniques for ML/AI, and we use it to perform a very comprehensive evaluation with 17 data reduction methods on 7 ML/AI applications to show modern lossy compression methods can achieve a 50-100x compression ratio improvement for a 1% or less loss in quality. We identify critical insights that guide the future use and design of lossy compressors for ML/AI.

Realistic physics engines play a crucial role for learning to manipulate deformable objects such as garments in simulation. By doing so, researchers can circumvent challenges such as sensing the deformation of the object in the realworld. In spite of the extensive use of simulations for this task, few works have evaluated the reality gap between deformable object simulators and real-world data. We present a benchmark dataset to evaluate the sim-to-real gap in cloth manipulation. The dataset is collected by performing a dynamic as well as a quasi-static cloth manipulation task involving contact with a rigid table. We use the dataset to evaluate the reality gap, computational time, and simulation stability of four popular deformable object simulators: MuJoCo, Bullet, Flex, and SOFA. Additionally, we discuss the benefits and drawbacks of each simulator. The benchmark dataset is open-source. Supplementary material, videos, and code, can be found at https://sites.google.com/view/cloth-sim2real-benchmark.

Extending the context length (i.e., the maximum supported sequence length) of LLMs is of paramount significance. To facilitate long context training of LLMs, sequence parallelism has emerged as an essential technique, which scatters each input sequence across multiple devices and necessitates communication to process the sequence. In essence, existing sequence parallelism methods assume homogeneous sequence lengths (i.e., all input sequences are equal in length) and therefore leverages a single, static scattering strategy for all input sequences. However, in reality, the sequence lengths in LLM training corpora exhibit substantial variability, often following a long-tail distribution, which leads to workload heterogeneity. In this paper, we show that employing a single, static strategy results in inefficiency and resource under-utilization, highlighting the need for adaptive approaches to handle the heterogeneous workloads across sequences. To address this, we propose a heterogeneity-adaptive sequence parallelism method. For each training step, our approach captures the variability in sequence lengths and assigns the optimal combination of scattering strategies based on workload characteristics. We model this problem as a linear programming optimization and design an efficient and effective solver to find the optimal solution. Furthermore, we implement our method in a high-performance system that supports adaptive parallelization in distributed LLM training. Experimental results demonstrate that our system outperforms state-of-the-art training frameworks by up to 1.98x.

Reinforcement Learning from Human Feedback (RLHF) stands as a pivotal technique in empowering large language model (LLM) applications. Since RLHF involves diverse computational workloads and intricate dependencies among multiple LLMs, directly adopting parallelization techniques from supervised training can result in sub-optimal performance. To overcome this limitation, we propose a novel approach named parameter ReaLlocation, which dynamically redistributes LLM parameters in the cluster and adapts parallelization strategies during training. Building upon this idea, we introduce ReaLHF, a pioneering system capable of automatically discovering and running efficient execution plans for RLHF training given the desired algorithmic and hardware configurations. ReaLHF formulates the execution plan for RLHF as an augmented dataflow graph. Based on this formulation, ReaLHF employs a tailored search algorithm with a lightweight cost estimator to discover an efficient execution plan. Subsequently, the runtime engine deploys the selected plan by effectively parallelizing computations and redistributing parameters. We evaluate ReaLHF on the LLaMA-2 models with up to 4times70 billion parameters and 128 GPUs. The experiment results showcase ReaLHF's substantial speedups of 2.0-10.6times compared to baselines. Furthermore, the execution plans generated by ReaLHF exhibit an average of 26% performance improvement over heuristic approaches based on Megatron-LM. The source code of ReaLHF is publicly available at https://github.com/openpsi-project/ReaLHF .

A modern challenge of Artificial Intelligence is learning multiple patterns at once (i.e.parallel learning). While this can not be accomplished by standard Hebbian associative neural networks, in this paper we show how the Multitasking Hebbian Network (a variation on theme of the Hopfield model working on sparse data-sets) is naturally able to perform this complex task. We focus on systems processing in parallel a finite (up to logarithmic growth in the size of the network) amount of patterns, mirroring the low-storage level of standard associative neural networks at work with pattern recognition. For mild dilution in the patterns, the network handles them hierarchically, distributing the amplitudes of their signals as power-laws w.r.t. their information content (hierarchical regime), while, for strong dilution, all the signals pertaining to all the patterns are raised with the same strength (parallel regime). Further, confined to the low-storage setting (i.e., far from the spin glass limit), the presence of a teacher neither alters the multitasking performances nor changes the thresholds for learning: the latter are the same whatever the training protocol is supervised or unsupervised. Results obtained through statistical mechanics, signal-to-noise technique and Monte Carlo simulations are overall in perfect agreement and carry interesting insights on multiple learning at once: for instance, whenever the cost-function of the model is minimized in parallel on several patterns (in its description via Statistical Mechanics), the same happens to the standard sum-squared error Loss function (typically used in Machine Learning).

Increasing test-time compute for LLMs shows promise across domains but remains underexplored in code generation, despite extensive study in math. In this paper, we propose S*, the first hybrid test-time scaling framework that substantially improves the coverage and selection accuracy of generated code. S* extends the existing parallel scaling paradigm with sequential scaling to push performance boundaries. It further leverages a novel selection mechanism that adaptively generates distinguishing inputs for pairwise comparison, combined with execution-grounded information to robustly identify correct solutions. We evaluate across 12 Large Language Models and Large Reasoning Model and show: (1) S* consistently improves performance across model families and sizes, enabling a 3B model to outperform GPT-4o-mini; (2) S* enables non-reasoning models to surpass reasoning models - GPT-4o-mini with S* outperforms o1-preview by 3.7% on LiveCodeBench; (3) S* further boosts state-of-the-art reasoning models - DeepSeek-R1-Distill-Qwen-32B with S* achieves 85.7% on LiveCodeBench, approaching o1 (high) at 88.5%. Code will be available under https://github.com/NovaSky-AI/SkyThought.

Markov processes are widely used mathematical models for describing dynamic systems in various fields. However, accurately simulating large-scale systems at long time scales is computationally expensive due to the short time steps required for accurate integration. In this paper, we introduce an inference process that maps complex systems into a simplified representational space and models large jumps in time. To achieve this, we propose Time-lagged Information Bottleneck (T-IB), a principled objective rooted in information theory, which aims to capture relevant temporal features while discarding high-frequency information to simplify the simulation task and minimize the inference error. Our experiments demonstrate that T-IB learns information-optimal representations for accurately modeling the statistical properties and dynamics of the original process at a selected time lag, outperforming existing time-lagged dimensionality reduction methods.

Recent innovation in large language models (LLMs), and their myriad use-cases have rapidly driven up the compute capacity demand for datacenter GPUs. Several cloud providers and other enterprises have made substantial plans of growth in their datacenters to support these new workloads. One of the key bottleneck resources in datacenters is power, and given the increasing model sizes of LLMs, they are becoming increasingly power intensive. In this paper, we show that there is a significant opportunity to oversubscribe power in LLM clusters. Power oversubscription improves the power efficiency of these datacenters, allowing more deployable servers per datacenter, and reduces the deployment time, since building new datacenters is slow. We extensively characterize the power consumption patterns of a variety of LLMs and their configurations. We identify the differences between the inference and training power consumption patterns. Based on our analysis of these LLMs, we claim that the average and peak power utilization in LLM clusters for inference should not be very high. Our deductions align with the data from production LLM clusters, revealing that inference workloads offer substantial headroom for power oversubscription. However, the stringent set of telemetry and controls that GPUs offer in a virtualized environment, makes it challenging to have a reliable and robust power oversubscription mechanism. We propose POLCA, our framework for power oversubscription that is robust, reliable, and readily deployable for GPU clusters. Using open-source models to replicate the power patterns observed in production, we simulate POLCA and demonstrate that we can deploy 30% more servers in the same GPU cluster for inference, with minimal performance loss

Efficiently training large language models requires parallelizing across hundreds of hardware accelerators and invoking various compute and memory optimizations. When combined, many of these strategies have complex interactions regarding the final training efficiency. Prior work tackling this problem did not have access to the latest set of optimizations, such as FlashAttention or sequence parallelism. In this work, we conduct a comprehensive ablation study of possible training configurations for large language models. We distill this large study into several key recommendations for the most efficient training. For instance, we find that using a micro-batch size of 1 usually enables the most efficient training layouts. Larger micro-batch sizes necessitate activation checkpointing or higher degrees of model parallelism and also lead to larger pipeline bubbles. Our most efficient configurations enable us to achieve state-of-the-art training efficiency results over a range of model sizes, most notably a Model FLOPs utilization of 70.5% when training a Llama 13B model.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different elements), 2. system size (number of atoms per sample), 3. dataset size (number of data samples), and 4. domain shift (similarity of the training and test set). Despite these large differences, benchmarks on small and narrow datasets remain the predominant method of demonstrating progress in graph neural networks (GNNs) for molecular simulation, likely due to cheaper training compute requirements. This raises the question -- does GNN progress on small and narrow datasets translate to these more complex datasets? This work investigates this question by first developing the GemNet-OC model based on the large Open Catalyst 2020 (OC20) dataset. GemNet-OC outperforms the previous state-of-the-art on OC20 by 16% while reducing training time by a factor of 10. We then compare the impact of 18 model components and hyperparameter choices on performance in multiple datasets. We find that the resulting model would be drastically different depending on the dataset used for making model choices. To isolate the source of this discrepancy we study six subsets of the OC20 dataset that individually test each of the above-mentioned four dataset aspects. We find that results on the OC-2M subset correlate well with the full OC20 dataset while being substantially cheaper to train on. Our findings challenge the common practice of developing GNNs solely on small datasets, but highlight ways of achieving fast development cycles and generalizable results via moderately-sized, representative datasets such as OC-2M and efficient models such as GemNet-OC. Our code and pretrained model weights are open-sourced.

Vector similarity search presents significant challenges in terms of scalability for large and high-dimensional datasets, as well as in providing native support for hybrid queries. Serverless computing and cloud functions offer attractive benefits such as elasticity and cost-effectiveness, but are difficult to apply to data-intensive workloads. Jointly addressing these two main challenges, we present SQUASH, the first fully serverless vector search solution with rich support for hybrid queries. It features OSQ, an optimized and highly parallelizable quantization-based approach for vectors and attributes. Its segment-based storage mechanism enables significant compression in resource-constrained settings and offers efficient dimensional extraction operations. SQUASH performs a single distributed pass to guarantee the return of sufficiently many vectors satisfying the filter predicate, achieving high accuracy and avoiding redundant computation for vectors which fail the predicate. A multi-level search workflow is introduced to prune most vectors early to minimize the load on Function-as-a-Service (FaaS) instances. SQUASH is designed to identify and utilize retention of relevant data in re-used runtime containers, which eliminates redundant I/O and reduces costs. Finally, we demonstrate a new tree-based method for rapid FaaS invocation, enabling the bi-directional flow of data via request/response payloads. Experiments comparing SQUASH with state-of-the-art serverless vector search solutions and server-based baselines on vector search benchmarks confirm significant performance improvements at a lower cost.

Global solar photospheric magnetic maps play a critical role in solar and heliospheric physics research. Routine magnetograph measurements of the field occur only along the Sun-Earth line, leaving the far-side of the Sun unobserved. Surface Flux Transport (SFT) models attempt to mitigate this by modeling the surface evolution of the field. While such models have long been established in the community (with several releasing public full-Sun maps), none are open source. The Open Source Flux Transport (OFT) model seeks to fill this gap by providing an open and user-extensible SFT model that also builds on the knowledge of previous models with updated numerical and data acquisition/assimilation methods along with additional user-defined features. In this first of a series of papers on OFT, we introduce its computational core: the High-performance Flux Transport (HipFT) code (github.com/predsci/hipft). HipFT implements advection, diffusion, and data assimilation in a modular design that supports a variety of flow models and options. It can compute multiple realizations in a single run across model parameters to create ensembles of maps for uncertainty quantification and is high-performance through the use of multi-CPU and multi-GPU parallelism. HipFT is designed to enable users to easily write extensions, enhancing its flexibility and adaptability. We describe HipFT's model features, validations of its numerical methods, performance of its parallel and GPU-accelerated code implementation, analysis/post-processing options, and example use cases.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

We consider the dictionary-based ROM-net (Reduced Order Model) framework [T. Daniel, F. Casenave, N. Akkari, D. Ryckelynck, Model order reduction assisted by deep neural networks (ROM-net), Advanced modeling and Simulation in Engineering Sciences 7 (16), 2020] and summarize the underlying methodologies and their recent improvements. The main contribution of this work is the application of the complete workflow to a real-life industrial model of an elastoviscoplastic high-pressure turbine blade subjected to thermal, centrifugal and pressure loadings, for the quantification of the uncertainty on dual quantities (such as the accumulated plastic strain and the stress tensor), generated by the uncertainty on the temperature loading field. The dictionary-based ROM-net computes predictions of dual quantities of interest for 1008 Monte Carlo draws of the temperature loading field in 2 hours and 48 minutes, which corresponds to a speedup greater than 600 with respect to a reference parallel solver using domain decomposition, with a relative error in the order of 2%. Another contribution of this work consists in the derivation of a meta-model to reconstruct the dual quantities of interest over the complete mesh from their values on the reduced integration points.

In this paper, we present MusPy, an open source Python library for symbolic music generation. MusPy provides easy-to-use tools for essential components in a music generation system, including dataset management, data I/O, data preprocessing and model evaluation. In order to showcase its potential, we present statistical analysis of the eleven datasets currently supported by MusPy. Moreover, we conduct a cross-dataset generalizability experiment by training an autoregressive model on each dataset and measuring held-out likelihood on the others---a process which is made easier by MusPy's dataset management system. The results provide a map of domain overlap between various commonly used datasets and show that some datasets contain more representative cross-genre samples than others. Along with the dataset analysis, these results might serve as a guide for choosing datasets in future research. Source code and documentation are available at https://github.com/salu133445/muspy .

This paper presents ``Stim", a fast simulator for quantum stabilizer circuits. The paper explains how Stim works and compares it to existing tools. With no foreknowledge, Stim can analyze a distance 100 surface code circuit (20 thousand qubits, 8 million gates, 1 million measurements) in 15 seconds and then begin sampling full circuit shots at a rate of 1 kHz. Stim uses a stabilizer tableau representation, similar to Aaronson and Gottesman's CHP simulator, but with three main improvements. First, Stim improves the asymptotic complexity of deterministic measurement from quadratic to linear by tracking the {\em inverse} of the circuit's stabilizer tableau. Second, Stim improves the constant factors of the algorithm by using a cache-friendly data layout and 256 bit wide SIMD instructions. Third, Stim only uses expensive stabilizer tableau simulation to create an initial reference sample. Further samples are collected in bulk by using that sample as a reference for batches of Pauli frames propagating through the circuit.

There has been significant progress in developing reinforcement learning (RL) training systems. Past works such as IMPALA, Apex, Seed RL, Sample Factory, and others, aim to improve the system's overall throughput. In this paper, we aim to address a common bottleneck in the RL training system, i.e., parallel environment execution, which is often the slowest part of the whole system but receives little attention. With a curated design for paralleling RL environments, we have improved the RL environment simulation speed across different hardware setups, ranging from a laptop and a modest workstation, to a high-end machine such as NVIDIA DGX-A100. On a high-end machine, EnvPool achieves one million frames per second for the environment execution on Atari environments and three million frames per second on MuJoCo environments. When running EnvPool on a laptop, the speed is 2.8x that of the Python subprocess. Moreover, great compatibility with existing RL training libraries has been demonstrated in the open-sourced community, including CleanRL, rl_games, DeepMind Acme, etc. Finally, EnvPool allows researchers to iterate their ideas at a much faster pace and has great potential to become the de facto RL environment execution engine. Example runs show that it only takes five minutes to train agents to play Atari Pong and MuJoCo Ant on a laptop. EnvPool is open-sourced at https://github.com/sail-sg/envpool.

Surrogate models are necessary to optimize meaningful quantities in physical dynamics as their recursive numerical resolutions are often prohibitively expensive. It is mainly the case for fluid dynamics and the resolution of Navier-Stokes equations. However, despite the fast-growing field of data-driven models for physical systems, reference datasets representing real-world phenomena are lacking. In this work, we develop AirfRANS, a dataset for studying the two-dimensional incompressible steady-state Reynolds-Averaged Navier-Stokes equations over airfoils at a subsonic regime and for different angles of attacks. We also introduce metrics on the stress forces at the surface of geometries and visualization of boundary layers to assess the capabilities of models to accurately predict the meaningful information of the problem. Finally, we propose deep learning baselines on four machine learning tasks to study AirfRANS under different constraints for generalization considerations: big and scarce data regime, Reynolds number, and angle of attack extrapolation.

Distributed optimization methods such as DiLoCo have been shown to be effective in training very large models across multiple distributed workers, such as datacenters. These methods split updates into two parts: an inner optimization phase, where the workers independently execute multiple optimization steps on their own local data, and an outer optimization step, where the inner updates are synchronized. While such approaches require orders of magnitude less communication than standard data-parallel training, in settings where the workers are datacenters, even the limited communication requirements of these approaches can still cause significant slow downs due to the blocking necessary at each outer optimization step. In this paper, we investigate techniques to mitigate this issue by overlapping communication with computation in a manner that allows the outer optimization step to fully overlap with the inner optimization phase. We show that a particular variant, dubbed eager updates, provides competitive performance with standard DiLoCo in settings with low bandwidth between workers.

The increasing usage of Large Language Models (LLMs) has resulted in a surging demand for planet-scale serving systems, where tens of thousands of GPUs continuously serve hundreds of millions of users. Consequently, throughput (under reasonable latency constraints) has emerged as a key metric that determines serving systems' performance. To boost throughput, various methods of inter-device parallelism (e.g., data, tensor, pipeline) have been explored. However, existing methods do not consider overlapping the utilization of different resources within a single device, leading to underutilization and sub-optimal performance. We propose NanoFlow, a novel serving framework that exploits intra-device parallelism, which overlaps the usage of resources including compute, memory, and network within a single device through operation co-scheduling. To exploit intra-device parallelism, NanoFlow introduces two key innovations: First, NanoFlow splits requests into nano-batches at the granularity of operations, which breaks the dependency of sequential operations in LLM inference and enables overlapping; then, to get benefit from overlapping, NanoFlow uses an operation-level pipeline with execution unit scheduling, which partitions the device's functional units and simultaneously executes different operations in each unit. NanoFlow automates the pipeline setup using a parameter search algorithm, which enables easily porting NanoFlow to different models. We implement NanoFlow on NVIDIA GPUs and evaluate end-to-end serving throughput on several popular models such as LLaMA-2-70B, Mixtral 8x7B, LLaMA-3-8B, etc.. With practical workloads, NanoFlow provides 1.91x throughput boost compared to state-of-the-art serving systems achieving 59% to 72% of optimal throughput across ported models.

We study the challenging problem of releasing a robot in a previously unseen environment, and having it follow unconstrained natural language navigation instructions. Recent work on the task of Vision-and-Language Navigation (VLN) has achieved significant progress in simulation. To assess the implications of this work for robotics, we transfer a VLN agent trained in simulation to a physical robot. To bridge the gap between the high-level discrete action space learned by the VLN agent, and the robot's low-level continuous action space, we propose a subgoal model to identify nearby waypoints, and use domain randomization to mitigate visual domain differences. For accurate sim and real comparisons in parallel environments, we annotate a 325m2 office space with 1.3km of navigation instructions, and create a digitized replica in simulation. We find that sim-to-real transfer to an environment not seen in training is successful if an occupancy map and navigation graph can be collected and annotated in advance (success rate of 46.8% vs. 55.9% in sim), but much more challenging in the hardest setting with no prior mapping at all (success rate of 22.5%).

Hoffmann et al. (2022) propose three methods for estimating a compute-optimal scaling law. We attempt to replicate their third estimation procedure, which involves fitting a parametric loss function to a reconstruction of data from their plots. We find that the reported estimates are inconsistent with their first two estimation methods, fail at fitting the extracted data, and report implausibly narrow confidence intervals--intervals this narrow would require over 600,000 experiments, while they likely only ran fewer than 500. In contrast, our rederivation of the scaling law using the third approach yields results that are compatible with the findings from the first two estimation procedures described by Hoffmann et al.

Large Language Models increasingly rely on distributed techniques for their training and inference. These techniques require communication across devices which can reduce scaling efficiency as the number of devices increases. While some distributed techniques can overlap, and thus, hide this communication with independent computations, techniques such as Tensor Parallelism (TP) inherently serialize communication with model execution. One approach to hide this serialized communication is to interleave it with the producer operation (of the communicated data) in a fine-grained manner. However, this fine-grained interleaving of communication and computation in software can be difficult. Furthermore, as with any concurrent execution, it requires compute and memory resources to be shared between computation and communication, causing resource contention that reduces overlapping efficacy. To overcome these challenges, we propose T3 which applies hardware-software co-design to transparently overlap serialized communication while minimizing resource contention with compute. T3 transparently fuses producer operations with the subsequent communication via a simple configuration of the producer's output address space and requires minor software changes. At the hardware level, T3 adds a lightweight track and trigger mechanism to orchestrate the producer's compute, and communication. It further uses compute-enhanced memories for communication's attendant compute. As a result, T3 reduces resource contention, and efficiently overlaps serialized communication with computation. For important Transformer models like T-NLG, T3 speeds up communication-heavy sublayers by 30% geomean (max 47%) and reduces data movement by 22% geomean (max 36%). Furthermore, T3's benefits persist as models scale: geomean 29% for sublayers in sim500-billion parameter models, PALM and MT-NLG.

Scaling multi-dimensional transformers to long sequences is indispensable across various domains. However, the challenges of large memory requirements and slow speeds of such sequences necessitate sequence parallelism. All existing approaches fall under the category of embedded sequence parallelism, which are limited to shard along a single sequence dimension, thereby introducing significant communication overhead. However, the nature of multi-dimensional transformers involves independent calculations across multiple sequence dimensions. To this end, we propose Dynamic Sequence Parallelism (DSP) as a novel abstraction of sequence parallelism. DSP dynamically switches the parallel dimension among all sequences according to the computation stage with efficient resharding strategy. DSP offers significant reductions in communication costs, adaptability across modules, and ease of implementation with minimal constraints. Experimental evaluations demonstrate DSP's superiority over state-of-the-art embedded sequence parallelism methods by remarkable throughput improvements ranging from 32.2% to 10x, with less than 25% communication volume.

Automatic analysis of the enormous sets of images is a critical task in life sciences. This faces many challenges such as: algorithms are highly parameterized, significant human input is intertwined, and lacking a standard meta-visualization approach. This paper proposes an alternative iterative approach for optimizing input parameters, saving time by minimizing the user involvement, and allowing for understanding the workflow of algorithms and discovering new ones. The main focus is on developing an interactive visualization technique that enables users to analyze the relationships between sampled input parameters and corresponding output. This technique is implemented as a prototype called Veni Vidi Vici, or "I came, I saw, I conquered." This strategy is inspired by the mathematical formulas of numbering computable functions and is developed atop ImageJ, a scientific image processing program. A case study is presented to investigate the proposed framework. Finally, the paper explores some potential future issues in the application of the proposed approach in parameter space analysis in visualization.

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the use of costly data and improve the generalization ability. However, these physics constraints, based on certain finite dimensional approximations over the function space, must resolve the smallest scaled physics to ensure the accuracy and stability of the simulation, resulting in high computational costs from large input, output, and neural networks. This paper proposes a general acceleration methodology called NeuralStagger by spatially and temporally decomposing the original learning tasks into several coarser-resolution subtasks. We define a coarse-resolution neural solver for each subtask, which requires fewer computational resources, and jointly train them with the vanilla physics-constrained loss by simply arranging their outputs to reconstruct the original solution. Due to the perfect parallelism between them, the solution is achieved as fast as a coarse-resolution neural solver. In addition, the trained solvers bring the flexibility of simulating with multiple levels of resolution. We demonstrate the successful application of NeuralStagger on 2D and 3D fluid dynamics simulations, which leads to an additional 10sim100times speed-up. Moreover, the experiment also shows that the learned model could be well used for optimal control.

Multi-agent learning algorithms have been successful at generating superhuman planning in a wide variety of games but have had little impact on the design of deployed multi-agent planners. A key bottleneck in applying these techniques to multi-agent planning is that they require billions of steps of experience. To enable the study of multi-agent planning at this scale, we present GPUDrive, a GPU-accelerated, multi-agent simulator built on top of the Madrona Game Engine that can generate over a million steps of experience per second. Observation, reward, and dynamics functions are written directly in C++, allowing users to define complex, heterogeneous agent behaviors that are lowered to high-performance CUDA. We show that using GPUDrive we are able to effectively train reinforcement learning agents over many scenes in the Waymo Motion dataset, yielding highly effective goal-reaching agents in minutes for individual scenes and generally capable agents in a few hours. We ship these trained agents as part of the code base at https://github.com/Emerge-Lab/gpudrive.

Expert parallelism has been introduced as a strategy to distribute the computational workload of sparsely-gated mixture-of-experts (MoE) models across multiple computing devices, facilitating the execution of these increasingly large-scale models. However, the All-to-All communication intrinsic to expert parallelism constitutes a significant overhead, diminishing the MoE models' efficiency. Current optimization approaches offer some relief, yet they are constrained by the sequential interdependence of communication and computation operations. To address this limitation, we present a novel shortcut-connected MoE architecture with overlapping parallel strategy, designated as ScMoE, which effectively decouples communication from its conventional sequence, allowing for a substantial overlap of 70% to 100% with computation. When compared with the prevalent top-2 MoE architecture, ScMoE demonstrates training speed improvements of 30% and 11%, and inference improvements of 40% and 15%, in our PCIe and NVLink hardware environments, respectively, where communication constitutes 60% and 15% of the total MoE time consumption. On the other hand, extensive experiments and theoretical analyses indicate that ScMoE not only achieves comparable but in some instances surpasses the model quality of existing approaches in vision and language tasks.

Scale has become a main ingredient in obtaining strong machine learning models. As a result, understanding a model's scaling properties is key to effectively designing both the right training setup as well as future generations of architectures. In this work, we argue that scale and training research has been needlessly complex due to reliance on the cosine schedule, which prevents training across different lengths for the same model size. We investigate the training behavior of a direct alternative - constant learning rate and cooldowns - and find that it scales predictably and reliably similar to cosine. Additionally, we show that stochastic weight averaging yields improved performance along the training trajectory, without additional training costs, across different scales. Importantly, with these findings we demonstrate that scaling experiments can be performed with significantly reduced compute and GPU hours by utilizing fewer but reusable training runs.

The emergence of large-scale Mixture of Experts (MoE) models has marked a significant advancement in artificial intelligence, offering enhanced model capacity and computational efficiency through conditional computation. However, the deployment and inference of these models present substantial challenges in terms of computational resources, latency, and energy efficiency. This comprehensive survey systematically analyzes the current landscape of inference optimization techniques for MoE models across the entire system stack. We first establish a taxonomical framework that categorizes optimization approaches into model-level, system-level, and hardware-level optimizations. At the model level, we examine architectural innovations including efficient expert design, attention mechanisms, various compression techniques such as pruning, quantization, and knowledge distillation, as well as algorithm improvement including dynamic routing strategies and expert merging methods. At the system level, we investigate distributed computing approaches, load balancing mechanisms, and efficient scheduling algorithms that enable scalable deployment. Furthermore, we delve into hardware-specific optimizations and co-design strategies that maximize throughput and energy efficiency. This survey not only provides a structured overview of existing solutions but also identifies key challenges and promising research directions in MoE inference optimization. Our comprehensive analysis serves as a valuable resource for researchers and practitioners working on large-scale deployment of MoE models in resource-constrained environments. To facilitate ongoing updates and the sharing of cutting-edge advances in MoE inference optimization research, we have established a repository accessible at https://github.com/MoE-Inf/awesome-moe-inference/.

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

Accumulation of corporate data in the cloud has attracted more enterprise applications to the cloud creating data gravity. As a consequence, network traffic has become more cloud centric. This increase in cloud centric traffic poses new challenges in designing learning systems for streaming data due to class imbalance. The number of classes plays a vital role in the accuracy of the classifiers built from the data streams. In this paper, we present a vector quantization-based sampling method, which substantially reduces the class imbalance in data streams. We demonstrate its effectiveness by conducting experiments on network traffic and anomaly dataset with commonly used ML model building methods; Multilayered Perceptron on TensorFlow backend, Support Vector Machines, K-Nearest Neighbour, and Random Forests. We built models using parallel processing, batch processing, and randomly selecting samples. We show that the accuracy of classification models improves when the data streams are pre-processed with our method. We used out of the box hyper-parameters of these classifiers and auto sklearn for hyperparameter optimization.

Large Language Models (LLMs) play an ever-increasing role in the field of Artificial Intelligence (AI)--not only for natural language processing but also for code understanding and generation. To stimulate open and responsible research on LLMs for code, we introduce The Stack, a 3.1 TB dataset consisting of permissively licensed source code in 30 programming languages. We describe how we collect the full dataset, construct a permissively licensed subset, present a data governance plan, discuss limitations, and show promising results on text2code benchmarks by training 350M-parameter decoders on different Python subsets. We find that (1) near-deduplicating the data significantly boosts performance across all experiments, and (2) it is possible to match previously reported HumanEval and MBPP performance using only permissively licensed data. We make the dataset available at https://hf.co/BigCode, provide a tool called "Am I in The Stack" (https://hf.co/spaces/bigcode/in-the-stack) for developers to search The Stack for copies of their code, and provide a process for code to be removed from the dataset by following the instructions at https://www.bigcode-project.org/docs/about/the-stack/.

Synthetic data generation has become an increasingly popular way of training models without the need for large, manually labeled datasets. For tasks like text embedding, synthetic data offers diverse and scalable training examples, significantly reducing the cost of human annotation. However, most current approaches rely heavily on proprietary models like GPT-4, which are expensive and inefficient for generating large-scale embedding data. In this paper, we introduce SPEED, a framework that aligns open-source small models (8B) to efficiently generate large-scale synthetic embedding data. Through supervised fine-tuning, preference optimization, and self-improvement, SPEED enables small open-source models to produce high-quality data. Remarkably, SPEED uses only less than 1/10 of the GPT API calls, outperforming the state-of-the-art embedding model E5_mistral when both are trained solely on their synthetic data. Using this efficient generator, we conduct a comprehensive study on how various factors within the alignment pipeline impact data quality and reveal the scaling law for synthetic embedding data.

Data preprocessing pipelines, which includes data decoding, cleaning, and transforming, are a crucial component of Machine Learning (ML) training. Thy are computationally intensive and often become a major bottleneck, due to the increasing performance gap between the CPUs used for preprocessing and the GPUs used for model training. Recent studies show that a significant number of CPUs across several machines are required to achieve sufficient throughput to saturate the GPUs, leading to increased resource and energy consumption. When the pipeline involves vocabulary generation, the preprocessing performance scales poorly due to significant row-wise synchronization overhead between different CPU cores and servers. To address this limitation, in this paper we present the design of Piper, a hardware accelerator for tabular data preprocessing, prototype it on FPGAs, and demonstrate its potential for training pipelines of commercial recommender systems. Piper achieves 4.7 sim 71.3times speedup in latency over a 128-core CPU server and outperforms a data-center GPU by 4.8sim 20.3times when using binary input. The impressive performance showcases Piper's potential to increase the efficiency of data preprocessing pipelines and significantly reduce their resource consumption.

Large language models have demonstrated impressive capabilities across various natural language processing tasks, especially in solving mathematical problems. However, large language models are not good at math theorem proving using formal languages like Lean. A significant challenge in this area is the scarcity of training data available in these formal languages. To address this issue, we propose a novel pipeline that iteratively generates and filters synthetic data to translate natural language mathematical problems into Lean 4 statements, and vice versa. Our results indicate that the synthetic data pipeline can provide useful training data and improve the performance of LLMs in translating and understanding complex mathematical problems and proofs. Our final dataset contains about 57K formal-informal question pairs along with searched proof from the math contest forum and 21 new IMO questions. We open-source our code at https://github.com/InternLM/InternLM-Math and our data at https://huggingface.co/datasets/InternLM/Lean-Workbook.

Foundation models are trained on increasingly immense and opaque datasets. Even while these models are now key in AI system building, it can be difficult to answer the straightforward question: has the model already encountered a given example during training? We therefore propose a widespread adoption of Data Portraits: artifacts that record training data and allow for downstream inspection. First we outline the properties of such an artifact and discuss how existing solutions can be used to increase transparency. We then propose and implement a solution based on data sketching, stressing fast and space efficient querying. Using our tools, we document a popular language modeling corpus (The Pile) and a recently released code modeling dataset (The Stack). We show that our solution enables answering questions about test set leakage and model plagiarism. Our tool is lightweight and fast, costing only 3% of the dataset size in overhead. We release a live interface of our tools at https://dataportraits.org/ and call on dataset and model creators to release Data Portraits as a complement to current documentation practices.

Decentralised Machine Learning (DML) enables collaborative machine learning without centralised input data. Federated Learning (FL) and Edge Inference are examples of DML. While tools for DML (especially FL) are starting to flourish, many are not flexible and portable enough to experiment with novel processors (e.g., RISC-V), non-fully connected network topologies, and asynchronous collaboration schemes. We overcome these limitations via a domain-specific language allowing us to map DML schemes to an underlying middleware, i.e. the FastFlow parallel programming library. We experiment with it by generating different working DML schemes on x86-64 and ARM platforms and an emerging RISC-V one. We characterise the performance and energy efficiency of the presented schemes and systems. As a byproduct, we introduce a RISC-V porting of the PyTorch framework, the first publicly available to our knowledge.

As computational work becomes more and more integral to many aspects of scientific research, computational reproducibility has become an issue of increasing importance to computer systems researchers and domain scientists alike. Though computational reproducibility seems more straight forward than replicating physical experiments, the complex and rapidly changing nature of computer environments makes being able to reproduce and extend such work a serious challenge. In this paper, I explore common reasons that code developed for one research project cannot be successfully executed or extended by subsequent researchers. I review current approaches to these issues, including virtual machines and workflow systems, and their limitations. I then examine how the popular emerging technology Docker combines several areas from systems research - such as operating system virtualization, cross-platform portability, modular re-usable elements, versioning, and a `DevOps' philosophy, to address these challenges. I illustrate this with several examples of Docker use with a focus on the R statistical environment.

The success of Transformer models has pushed the deep learning model scale to billions of parameters. Due to the limited memory resource of a single GPU, However, the best practice for choosing the optimal parallel strategy is still lacking, since it requires domain expertise in both deep learning and parallel computing. The Colossal-AI system addressed the above challenge by introducing a unified interface to scale your sequential code of model training to distributed environments. It supports parallel training methods such as data, pipeline, tensor, and sequence parallelism, as well as heterogeneous training methods integrated with zero redundancy optimizer. Compared to the baseline system, Colossal-AI can achieve up to 2.76 times training speedup on large-scale models.

Entity resolution (record linkage, microclustering) systems are notoriously difficult to evaluate. Looking for a needle in a haystack, traditional evaluation methods use sophisticated, application-specific sampling schemes to find matching pairs of records among an immense number of non-matches. We propose an alternative that facilitates the creation of representative, reusable benchmark data sets without necessitating complex sampling schemes. These benchmark data sets can then be used for model training and a variety of evaluation tasks. Specifically, we propose an entity-centric data labeling methodology that integrates with a unified framework for monitoring summary statistics, estimating key performance metrics such as cluster and pairwise precision and recall, and analyzing root causes for errors. We validate the framework in an application to inventor name disambiguation and through simulation studies. Software: https://github.com/OlivierBinette/er-evaluation/

In recent years, large language models have demonstrated remarkable performance across various natural language processing (NLP) tasks. However, deploying these models for real-world applications often requires efficient inference solutions to handle the computational demands. In this paper, we explore the utilization of CPUs for accelerating the inference of large language models. Specifically, we introduce a parallelized approach to enhance throughput by 1) Exploiting the parallel processing capabilities of modern CPU architectures, 2) Batching the inference request. Our evaluation shows the accelerated inference engine gives an 18-22x improvement in the generated token per sec. The improvement is more with longer sequence and larger models. In addition to this, we can also run multiple workers in the same machine with NUMA node isolation to further improvement in tokens/s. Table 2, we have received 4x additional improvement with 4 workers. This would also make Gen-AI based products and companies environment friendly, our estimates shows that CPU usage for Inference could reduce the power consumption of LLMs by 48.9% while providing production ready throughput and latency.

Most AI projects start with a Python notebook running on a single laptop; however, one usually needs to go through a mountain of pains to scale it to handle larger dataset (for both experimentation and production deployment). These usually entail many manual and error-prone steps for the data scientists to fully take advantage of the available hardware resources (e.g., SIMD instructions, multi-processing, quantization, memory allocation optimization, data partitioning, distributed computing, etc.). To address this challenge, we have open sourced BigDL 2.0 at https://github.com/intel-analytics/BigDL/ under Apache 2.0 license (combining the original BigDL and Analytics Zoo projects); using BigDL 2.0, users can simply build conventional Python notebooks on their laptops (with possible AutoML support), which can then be transparently accelerated on a single node (with up-to 9.6x speedup in our experiments), and seamlessly scaled out to a large cluster (across several hundreds servers in real-world use cases). BigDL 2.0 has already been adopted by many real-world users (such as Mastercard, Burger King, Inspur, etc.) in production.

Synthetic data is becoming increasingly important for accelerating the development of language models, both large and small. Despite several successful use cases, researchers also raised concerns around model collapse and drawbacks of imitating other models. This discrepancy can be attributed to the fact that synthetic data varies in quality and diversity. Effective use of synthetic data usually requires significant human effort in curating the data. We focus on using synthetic data for post-training, specifically creating data by powerful models to teach a new skill or behavior to another model, we refer to this setting as Generative Teaching. We introduce AgentInstruct, an extensible agentic framework for automatically creating large amounts of diverse and high-quality synthetic data. AgentInstruct can create both the prompts and responses, using only raw data sources like text documents and code files as seeds. We demonstrate the utility of AgentInstruct by creating a post training dataset of 25M pairs to teach language models different skills, such as text editing, creative writing, tool usage, coding, reading comprehension, etc. The dataset can be used for instruction tuning of any base model. We post-train Mistral-7b with the data. When comparing the resulting model Orca-3 to Mistral-7b-Instruct (which uses the same base model), we observe significant improvements across many benchmarks. For example, 40% improvement on AGIEval, 19% improvement on MMLU, 54% improvement on GSM8K, 38% improvement on BBH and 45% improvement on AlpacaEval. Additionally, it consistently outperforms other models such as LLAMA-8B-instruct and GPT-3.5-turbo.

In the realm of Large Language Model (LLM) inference, the inherent structure of transformer models coupled with the multi-GPU tensor parallelism strategy leads to a sequential execution of computation and communication. This results in substantial underutilization of computing resources during the communication phase. To mitigate this inefficiency, various techniques have been developed to optimize the use of computational power throughout the communication process. These strategies primarily involve overlapping matrix computations and communications, as well as interleaving micro-batches across different requests. Nonetheless, these approaches either fall short of achieving ideal overlap or impose certain limitations on their application. To overcome these challenges, this paper introduces a novel strategy for computation-communication overlap that operates at the sequence level. This method not only enhances the degree of overlap but also minimizes the constraints on its applicability. Experimental evaluations conducted using 30b/70b models have demonstrated significant improvements in efficiency. Specifically, the proposed technique has been shown to reduce time consumption by approximately 35% on 4090 GPU and by roughly 15% on A800 GPU during the prefill stage of LLM inference.

Selecting high-quality training data from a larger pool is a crucial step when instruction-tuning language models, as carefully curated datasets often produce models that outperform those trained on much larger, noisier datasets. Automated data selection approaches for instruction-tuning are typically tested by selecting small datasets (roughly 10k samples) from small pools (100-200k samples). However, popular deployed instruction-tuned models often train on hundreds of thousands to millions of samples, subsampled from even larger data pools. We present a systematic study of how well data selection methods scale to these settings, selecting up to 2.5M samples from pools of up to 5.8M samples and evaluating across 7 diverse tasks. We show that many recently proposed methods fall short of random selection in this setting (while using more compute), and even decline in performance when given access to larger pools of data to select over. However, we find that a variant of representation-based data selection (RDS+), which uses weighted mean pooling of pretrained LM hidden states, consistently outperforms more complex methods across all settings tested -- all whilst being more compute-efficient. Our findings highlight that the scaling properties of proposed automated selection methods should be more closely examined. We release our code, data, and models at https://github.com/hamishivi/automated-instruction-selection.

Large Transformer networks are increasingly used in settings where low inference latency can improve the end-user experience and enable new applications. However, autoregressive inference is resource intensive and requires parallelism for efficiency. Parallelism introduces collective communication that is both expensive and represents a phase when hardware resources are underutilized. Towards mitigating this, Kraken is an evolution of the standard Transformer architecture that is designed to complement existing tensor parallelism schemes for efficient inference on multi-device systems. By introducing a fixed degree of intra-layer model parallelism, the architecture allows collective operations to be overlapped with compute, decreasing latency and increasing hardware utilization. When trained on OpenWebText, Kraken models reach a similar perplexity as standard Transformers while also preserving their language modeling capabilities when evaluated on the SuperGLUE benchmark. Importantly, when tested on multi-GPU systems using TensorRT-LLM engines, Kraken speeds up Time To First Token by a mean of 35.6% across a range of model sizes, context lengths, and degrees of tensor parallelism.

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

Event sequences, characterized by irregular sampling intervals and a mix of categorical and numerical features, are common data structures in various real-world domains such as healthcare, finance, and user interaction logs. Despite advances in temporal data modeling techniques, there is no standardized benchmarks for evaluating their performance on event sequences. This complicates result comparison across different papers due to varying evaluation protocols, potentially misleading progress in this field. We introduce EBES, a comprehensive benchmarking tool with standardized evaluation scenarios and protocols, focusing on regression and classification problems with sequence-level targets. Our library simplifies benchmarking, dataset addition, and method integration through a unified interface. It includes a novel synthetic dataset and provides preprocessed real-world datasets, including the largest publicly available banking dataset. Our results provide an in-depth analysis of datasets, identifying some as unsuitable for model comparison. We investigate the importance of modeling temporal and sequential components, as well as the robustness and scaling properties of the models. These findings highlight potential directions for future research. Our benchmark aim is to facilitate reproducible research, expediting progress and increasing real-world impacts.

We present SciRIFF (Scientific Resource for Instruction-Following and Finetuning), a dataset of 137K instruction-following demonstrations for 54 tasks covering five essential scientific literature understanding capabilities: information extraction, summarization, question answering, claim verification, and classification. SciRIFF demonstrations are notable for their long input contexts, detailed task specifications, and complex structured outputs. While instruction-following resources are available in specific domains such as clinical medicine and chemistry, SciRIFF is the first dataset focused on extracting and synthesizing information from research literature across a wide range of scientific fields. To demonstrate the utility of SciRIFF, we develop a sample-efficient strategy to adapt a general instruction-following model for science by performing additional finetuning on a mix of general-domain and SciRIFF demonstrations. In evaluations on nine held-out scientific tasks, our model -- called SciTulu -- improves over a strong LLM baseline by 28.1% and 6.5% at the 7B and 70B scales respectively, while maintaining general instruction-following performance within 2% of the baseline. We are optimistic that SciRIFF will facilitate the development and evaluation of LLMs to help researchers navigate the ever-growing body of scientific literature. We release our dataset, model checkpoints, and data processing and evaluation code to enable further research.

Machine Learning (ML) has the potential to revolutionise the field of automotive aerodynamics, enabling split-second flow predictions early in the design process. However, the lack of open-source training data for realistic road cars, using high-fidelity CFD methods, represents a barrier to their development. To address this, a high-fidelity open-source (CC-BY-SA) public dataset for automotive aerodynamics has been generated, based on 500 parametrically morphed variants of the widely-used DrivAer notchback generic vehicle. Mesh generation and scale-resolving CFD was executed using consistent and validated automatic workflows representative of the industrial state-of-the-art. Geometries and rich aerodynamic data are published in open-source formats. To our knowledge, this is the first large, public-domain dataset for complex automotive configurations generated using high-fidelity CFD.

Modern deep learning applications require increasingly more compute to train state-of-the-art models. To address this demand, large corporations and institutions use dedicated High-Performance Computing clusters, whose construction and maintenance are both environmentally costly and well beyond the budget of most organizations. As a result, some research directions become the exclusive domain of a few large industrial and even fewer academic actors. To alleviate this disparity, smaller groups may pool their computational resources and run collaborative experiments that benefit all participants. This paradigm, known as grid- or volunteer computing, has seen successful applications in numerous scientific areas. However, using this approach for machine learning is difficult due to high latency, asymmetric bandwidth, and several challenges unique to volunteer computing. In this work, we carefully analyze these constraints and propose a novel algorithmic framework designed specifically for collaborative training. We demonstrate the effectiveness of our approach for SwAV and ALBERT pretraining in realistic conditions and achieve performance comparable to traditional setups at a fraction of the cost. Finally, we provide a detailed report of successful collaborative language model pretraining with 40 participants.

Recommender system has deeply revolutionized people's daily life and production, bringing a large amount of business value. In the recommendation domain, simulation and real data-based studies are two typical research paradigms, with each having different advantages. Previously, real data-based studies occupy more important positions, since accurately simulating the user preference is quite difficult. Recently, large language models (LLM) have shown great potential to achieve human-like intelligence, which provides new opportunities to overcome the shortcomings of simulation-based studies and thus highlight their advantages, such as much more application scenarios and cheaper data acquisition strategies. To shed lights on this direction, in this paper, we introduce an LLM-based recommender simulator called RecAgent. Our simulator is composed of two modules: (1) the user module and (2) the recommender module. The user module can browse the recommendation website, communicate with other users and broadcast messages on the social media. The recommender module is designed to provide search or recommendation lists to the users, and one can design different models to implement the recommender. All the users take actions based on LLMs, and can freely evolve like in the real world. We present several case studies to demonstrate that the users in our simulator can indeed behave in a reasonable manner as expected. Our project has been released at https://github.com/RUC-GSAI/YuLan-Rec.

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

We present DrivAerNet++, the largest and most comprehensive multimodal dataset for aerodynamic car design. DrivAerNet++ comprises 8,000 diverse car designs modeled with high-fidelity computational fluid dynamics (CFD) simulations. The dataset includes diverse car configurations such as fastback, notchback, and estateback, with different underbody and wheel designs to represent both internal combustion engines and electric vehicles. Each entry in the dataset features detailed 3D meshes, parametric models, aerodynamic coefficients, and extensive flow and surface field data, along with segmented parts for car classification and point cloud data. This dataset supports a wide array of machine learning applications including data-driven design optimization, generative modeling, surrogate model training, CFD simulation acceleration, and geometric classification. With more than 39 TB of publicly available engineering data, DrivAerNet++ fills a significant gap in available resources, providing high-quality, diverse data to enhance model training, promote generalization, and accelerate automotive design processes. Along with rigorous dataset validation, we also provide ML benchmarking results on the task of aerodynamic drag prediction, showcasing the breadth of applications supported by our dataset. This dataset is set to significantly impact automotive design and broader engineering disciplines by fostering innovation and improving the fidelity of aerodynamic evaluations.

Physics-informed neural networks (PINNs) leverage neural-networks to find the solutions of partial differential equation (PDE)-constrained optimization problems with initial conditions and boundary conditions as soft constraints. These soft constraints are often considered to be the sources of the complexity in the training phase of PINNs. Here, we demonstrate that the challenge of training (i) persists even when the boundary conditions are strictly enforced, and (ii) is closely related to the Kolmogorov n-width associated with problems demonstrating transport, convection, traveling waves, or moving fronts. Given this realization, we describe the mechanism underlying the training schemes such as those used in eXtended PINNs (XPINN), curriculum regularization, and sequence-to-sequence learning. For an important category of PDEs, i.e., governed by non-linear convection-diffusion equation, we propose reformulating PINNs on a Lagrangian frame of reference, i.e., LPINNs, as a PDE-informed solution. A parallel architecture with two branches is proposed. One branch solves for the state variables on the characteristics, and the second branch solves for the low-dimensional characteristics curves. The proposed architecture conforms to the causality innate to the convection, and leverages the direction of travel of the information in the domain. Finally, we demonstrate that the loss landscapes of LPINNs are less sensitive to the so-called "complexity" of the problems, compared to those in the traditional PINNs in the Eulerian framework.

Federated learning (FL) is an emerging machine learning (ML) training paradigm where clients own their data and collaborate to train a global model, without revealing any data to the server and other participants. Researchers commonly perform experiments in a simulation environment to quickly iterate on ideas. However, existing open-source tools do not offer the efficiency required to simulate FL on larger and more realistic FL datasets. We introduce pfl-research, a fast, modular, and easy-to-use Python framework for simulating FL. It supports TensorFlow, PyTorch, and non-neural network models, and is tightly integrated with state-of-the-art privacy algorithms. We study the speed of open-source FL frameworks and show that pfl-research is 7-72times faster than alternative open-source frameworks on common cross-device setups. Such speedup will significantly boost the productivity of the FL research community and enable testing hypotheses on realistic FL datasets that were previously too resource intensive. We release a suite of benchmarks that evaluates an algorithm's overall performance on a diverse set of realistic scenarios. The code is available on GitHub at https://github.com/apple/pfl-research.

In this paper, we present a novel method that reduces model inference latency during distributed deployment of Large Language Models (LLMs). Our contribution is an optimized inference deployment scheme that address the current limitations of state-of-the-art quantization kernels when used in conjunction with Tensor Parallel (TP). Our method preserves data locality in GPU memory access patterns and exploits a priori knowledge of TP to reduce global communication. We demonstrate an up to 1.81x speedup over existing methods for Llama-70B and up to 1.78x speedup for IBM WatsonX's Granite-20B MLP layer problem sizes on A100 and H100 NVIDIA DGX Systems for a variety of TP settings.

Large Language Models (LLMs) have emerged as powerful tools in mathematical theorem proving, particularly when utilizing formal languages such as LEAN. The major learning paradigm is expert iteration, which necessitates a pre-defined dataset comprising numerous mathematical problems. In this process, LLMs attempt to prove problems within the dataset and iteratively refine their capabilities through self-training on the proofs they discover. We propose to use large scale LEAN problem datasets Lean-workbook for expert iteration with more than 20,000 CPU days. During expert iteration, we found log-linear trends between solved problem amount with proof length and CPU usage. We train a critic model to select relatively easy problems for policy models to make trials and guide the model to search for deeper proofs. InternLM2.5-StepProver achieves open-source state-of-the-art on MiniF2F, Lean-Workbook-Plus, ProofNet, and Putnam benchmarks. Specifically, it achieves a pass of 65.9% on the MiniF2F-test and proves (or disproves) 17.0% of problems in Lean-Workbook-Plus which shows a significant improvement compared to only 9.5% of problems proved when Lean-Workbook-Plus was released. We open-source our models and searched proofs at https://github.com/InternLM/InternLM-Math and https://huggingface.co/datasets/internlm/Lean-Workbook.

The remarkable performance of the o1 model in complex reasoning demonstrates that test-time computing scaling can further unlock the model's potential, enabling powerful System-2 thinking. However, there is still a lack of comprehensive surveys for test-time computing scaling. We trace the concept of test-time computing back to System-1 models. In System-1 models, test-time computing addresses distribution shifts and improves robustness and generalization through parameter updating, input modification, representation editing, and output calibration. In System-2 models, it enhances the model's reasoning ability to solve complex problems through repeated sampling, self-correction, and tree search. We organize this survey according to the trend of System-1 to System-2 thinking, highlighting the key role of test-time computing in the transition from System-1 models to weak System-2 models, and then to strong System-2 models. We also point out a few possible future directions.

Empirically validating new 3D-printing related algorithms and implementations requires testing data representative of inputs encountered in the wild. An ideal benchmarking dataset should not only draw from the same distribution of shapes people print in terms of class (e.g., toys, mechanisms, jewelry), representation type (e.g., triangle soup meshes) and complexity (e.g., number of facets), but should also capture problems and artifacts endemic to 3D printing models (e.g., self-intersections, non-manifoldness). We observe that the contextual and geometric characteristics of 3D printing models differ significantly from those used for computer graphics applications, not to mention standard models (e.g., Stanford bunny, Armadillo, Fertility). We present a new dataset of 10,000 models collected from an online 3D printing model-sharing database. Via analysis of both geometric (e.g., triangle aspect ratios, manifoldness) and contextual (e.g., licenses, tags, classes) characteristics, we demonstrate that this dataset represents a more concise summary of real-world models used for 3D printing compared to existing datasets. To facilitate future research endeavors, we also present an online query interface to select subsets of the dataset according to project-specific characteristics. The complete dataset and per-model statistical data are freely available to the public.

In modern data-driven science, reproducibility and reusability are key challenges. Scientists are well skilled in the process from data to publication. Although some publication channels require source code and data to be made accessible, rerunning and verifying experiments is usually hard due to a lack of standards. Therefore, reusing existing scientific data processing code from state-of-the-art research is hard as well. This is why we introduce CLAIMED, which has a proven track record in scientific research for addressing the repeatability and reusability issues in modern data-driven science. CLAIMED is a framework to build reusable operators and scalable scientific workflows by supporting the scientist to draw from previous work by re-composing workflows from existing libraries of coarse-grained scientific operators. Although various implementations exist, CLAIMED is programming language, scientific library, and execution environment agnostic.

As research and industry moves towards large-scale models capable of numerous downstream tasks, the complexity of understanding multi-modal datasets that give nuance to models rapidly increases. A clear and thorough understanding of a dataset's origins, development, intent, ethical considerations and evolution becomes a necessary step for the responsible and informed deployment of models, especially those in people-facing contexts and high-risk domains. However, the burden of this understanding often falls on the intelligibility, conciseness, and comprehensiveness of the documentation. It requires consistency and comparability across the documentation of all datasets involved, and as such documentation must be treated as a user-centric product in and of itself. In this paper, we propose Data Cards for fostering transparent, purposeful and human-centered documentation of datasets within the practical contexts of industry and research. Data Cards are structured summaries of essential facts about various aspects of ML datasets needed by stakeholders across a dataset's lifecycle for responsible AI development. These summaries provide explanations of processes and rationales that shape the data and consequently the models, such as upstream sources, data collection and annotation methods; training and evaluation methods, intended use; or decisions affecting model performance. We also present frameworks that ground Data Cards in real-world utility and human-centricity. Using two case studies, we report on desirable characteristics that support adoption across domains, organizational structures, and audience groups. Finally, we present lessons learned from deploying over 20 Data Cards.

In large language models like the Generative Pre-trained Transformer, the Mixture of Experts paradigm has emerged as a powerful technique for enhancing model expressiveness and accuracy. However, deploying GPT MoE models for parallel inference on distributed systems presents significant challenges, primarily due to the extensive Alltoall communication required for expert routing and aggregation. This communication bottleneck exacerbates the already complex computational landscape, hindering the efficient utilization of high-performance computing resources. In this paper, we propose a lightweight optimization technique called ExFlow, to largely accelerate the inference of these MoE models. We take a new perspective on alleviating the communication overhead by exploiting the inter-layer expert affinity. Unlike previous methods, our solution can be directly applied to pre-trained MoE models without any fine-tuning or accuracy degradation. By proposing a context-coherent expert parallelism on distributed systems, our design only uses one Alltoall communication to deliver the same functionality while previous methods all require two Alltoalls. By carefully examining the conditional probability in tokens' routing across multiple layers, we proved that pre-trained GPT MoE models implicitly exhibit a strong inter-layer expert affinity. We then design an efficient integer programming model to capture such features and show that by properly placing the experts on corresponding GPUs, we can reduce up to 67% cross-GPU routing latency. Our solution beats the cutting-edge MoE implementations with experts from 8 to 64, with up to 2.2x improvement in inference throughput. We further provide a detailed study of how the model implicitly acquires this expert affinity at the very early training stage and how this affinity evolves and stabilizes during training.

Clustering non-Euclidean data is difficult, and one of the most used algorithms besides hierarchical clustering is the popular algorithm Partitioning Around Medoids (PAM), also simply referred to as k-medoids clustering. In Euclidean geometry the mean-as used in k-means-is a good estimator for the cluster center, but this does not exist for arbitrary dissimilarities. PAM uses the medoid instead, the object with the smallest dissimilarity to all others in the cluster. This notion of centrality can be used with any (dis-)similarity, and thus is of high relevance to many domains and applications. A key issue with PAM is its high run time cost. We propose modifications to the PAM algorithm that achieve an O(k)-fold speedup in the second ("SWAP") phase of the algorithm, but will still find the same results as the original PAM algorithm. If we relax the choice of swaps performed (while retaining comparable quality), we can further accelerate the algorithm by eagerly performing additional swaps in each iteration. With the substantially faster SWAP, we can now explore faster initialization strategies, because (i) the classic ("BUILD") initialization now becomes the bottleneck, and (ii) our swap is fast enough to compensate for worse starting conditions. We also show how the CLARA and CLARANS algorithms benefit from the proposed modifications. While we do not study the parallelization of our approach in this work, it can easily be combined with earlier approaches to use PAM and CLARA on big data (some of which use PAM as a subroutine, hence can immediately benefit from these improvements), where the performance with high k becomes increasingly important. In experiments on real data with k=100,200, we observed a 458x respectively 1191x speedup compared to the original PAM SWAP algorithm, making PAM applicable to larger data sets, and in particular to higher k.

Modern deep learning models have the ability to generate high-dimensional vectors whose similarity reflects semantic resemblance. Thus, similarity search, i.e., the operation of retrieving those vectors in a large collection that are similar to a given query, has become a critical component of a wide range of applications that demand highly accurate and timely answers. In this setting, the high vector dimensionality puts similarity search systems under compute and memory pressure, leading to subpar performance. Additionally, cross-modal retrieval tasks have become increasingly common, e.g., where a user inputs a text query to find the most relevant images for that query. However, these queries often have different distributions than the database embeddings, making it challenging to achieve high accuracy. In this work, we present LeanVec, a framework that combines linear dimensionality reduction with vector quantization to accelerate similarity search on high-dimensional vectors while maintaining accuracy. We present LeanVec variants for in-distribution (ID) and out-of-distribution (OOD) queries. LeanVec-ID yields accuracies on par with those from recently introduced deep learning alternatives whose computational overhead precludes their usage in practice. LeanVec-OOD uses a novel technique for dimensionality reduction that considers the query and database distributions to simultaneously boost the accuracy and the performance of the framework even further (even presenting competitive results when the query and database distributions match). All in all, our extensive and varied experimental results show that LeanVec produces state-of-the-art results, with up to 3.7x improvement in search throughput and up to 4.9x faster index build time over the state of the art.

Jupyter notebooks facilitate the bundling of executable code with its documentation and output in one interactive environment, and they represent a popular mechanism to document and share computational workflows. The reproducibility of computational aspects of research is a key component of scientific reproducibility but has not yet been assessed at scale for Jupyter notebooks associated with biomedical publications. We address computational reproducibility at two levels: First, using fully automated workflows, we analyzed the computational reproducibility of Jupyter notebooks related to publications indexed in PubMed Central. We identified such notebooks by mining the articles full text, locating them on GitHub and re-running them in an environment as close to the original as possible. We documented reproduction success and exceptions and explored relationships between notebook reproducibility and variables related to the notebooks or publications. Second, this study represents a reproducibility attempt in and of itself, using essentially the same methodology twice on PubMed Central over two years. Out of 27271 notebooks from 2660 GitHub repositories associated with 3467 articles, 22578 notebooks were written in Python, including 15817 that had their dependencies declared in standard requirement files and that we attempted to re-run automatically. For 10388 of these, all declared dependencies could be installed successfully, and we re-ran them to assess reproducibility. Of these, 1203 notebooks ran through without any errors, including 879 that produced results identical to those reported in the original notebook and 324 for which our results differed from the originally reported ones. Running the other notebooks resulted in exceptions. We zoom in on common problems, highlight trends and discuss potential improvements to Jupyter-related workflows associated with biomedical publications.

Vector databases have emerged as key enablers for bridging intelligent applications with unstructured data, providing generic search and management support for embedding vectors extracted from the raw unstructured data. As multiple data users can share the same database infrastructure, multi-tenancy support for vector databases is increasingly desirable. This hinges on an efficient filtered search operation, i.e., only querying the vectors accessible to a particular tenant. Multi-tenancy in vector databases is currently achieved by building either a single, shared index among all tenants, or a per-tenant index. The former optimizes for memory efficiency at the expense of search performance, while the latter does the opposite. Instead, this paper presents Curator, an in-memory vector index design tailored for multi-tenant queries that simultaneously achieves the two conflicting goals, low memory overhead and high performance for queries, vector insertion, and deletion. Curator indexes each tenant's vectors with a tenant-specific clustering tree and encodes these trees compactly as sub-trees of a shared clustering tree. Each tenant's clustering tree adapts dynamically to its unique vector distribution, while maintaining a low per-tenant memory footprint. Our evaluation, based on two widely used data sets, confirms that Curator delivers search performance on par with per-tenant indexing, while maintaining memory consumption at the same level as metadata filtering on a single, shared index.

The artificial intelligence (AI) world is running out of real data for training increasingly large generative models, resulting in accelerating pressure to train on synthetic data. Unfortunately, training new generative models with synthetic data from current or past generation models creates an autophagous (self-consuming) loop that degrades the quality and/or diversity of the synthetic data in what has been termed model autophagy disorder (MAD) and model collapse. Current thinking around model autophagy recommends that synthetic data is to be avoided for model training lest the system deteriorate into MADness. In this paper, we take a different tack that treats synthetic data differently from real data. Self-IMproving diffusion models with Synthetic data (SIMS) is a new training concept for diffusion models that uses self-synthesized data to provide negative guidance during the generation process to steer a model's generative process away from the non-ideal synthetic data manifold and towards the real data distribution. We demonstrate that SIMS is capable of self-improvement; it establishes new records based on the Fr\'echet inception distance (FID) metric for CIFAR-10 and ImageNet-64 generation and achieves competitive results on FFHQ-64 and ImageNet-512. Moreover, SIMS is, to the best of our knowledge, the first prophylactic generative AI algorithm that can be iteratively trained on self-generated synthetic data without going MAD. As a bonus, SIMS can adjust a diffusion model's synthetic data distribution to match any desired in-domain target distribution to help mitigate biases and ensure fairness.

Hyperdimensional computing (HD), also known as vector symbolic architectures (VSA), is a framework for computing with distributed representations by exploiting properties of random high-dimensional vector spaces. The commitment of the scientific community to aggregate and disseminate research in this particularly multidisciplinary area has been fundamental for its advancement. Joining these efforts, we present Torchhd, a high-performance open source Python library for HD/VSA. Torchhd seeks to make HD/VSA more accessible and serves as an efficient foundation for further research and application development. The easy-to-use library builds on top of PyTorch and features state-of-the-art HD/VSA functionality, clear documentation, and implementation examples from well-known publications. Comparing publicly available code with their corresponding Torchhd implementation shows that experiments can run up to 100x faster. Torchhd is available at: https://github.com/hyperdimensional-computing/torchhd.