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Mar 17

Energy Efficient Protein Language Models: Leveraging Small Language Models with LoRA for Controllable Protein Generation

Large language models (LLMs) have demonstrated significant success in natural language processing (NLP) tasks and have shown promising results in other domains such as protein sequence generation. However, there remain salient differences between LLMs used for NLP, which effectively handle multiple tasks and are available in small sizes, and protein language models that are often specialized for specific tasks and only exist in larger sizes. In this work, we introduce two small protein language models, based on Llama-3-8B and Phi-3-mini, that are capable of both uncontrollable and controllable protein generation. For the uncontrollable generation task, our best model achieves an average pLDDT score of 69.75, demonstrating robust performance in generating viable protein structures. For the controllable generation task, in which the model generates proteins according to properties specified in the prompt, we achieve a remarkable average TM-Score of 0.84, indicating high structural similarity to target proteins. We chose 10 properties, including six classes of enzymes, to extend the capabilities of prior protein language models. Our approach utilizes the Low-Rank Adaptor (LoRA) technique, reducing trainable parameters to just 4% of the original model size, lowering computational requirements. By using a subset of the UniRef50 dataset and small models, we reduced the overall training time by 70% without compromising performance. Notably, Phi-3-mini reduced trainable parameters by 60%, decreasing training cost by 30% compared to Llama 3. Consequently, Phi-3 achieved a comparable TM-Score of 0.81, demonstrating that smaller models can match the performance of larger ones, like Llama 3. We also demonstrate the deployment of our models on the energy efficient ET-SoC-1 chip, significantly improving the TPS/W by a factor of 3.

Points-to-3D: Bridging the Gap between Sparse Points and Shape-Controllable Text-to-3D Generation

Text-to-3D generation has recently garnered significant attention, fueled by 2D diffusion models trained on billions of image-text pairs. Existing methods primarily rely on score distillation to leverage the 2D diffusion priors to supervise the generation of 3D models, e.g., NeRF. However, score distillation is prone to suffer the view inconsistency problem, and implicit NeRF modeling can also lead to an arbitrary shape, thus leading to less realistic and uncontrollable 3D generation. In this work, we propose a flexible framework of Points-to-3D to bridge the gap between sparse yet freely available 3D points and realistic shape-controllable 3D generation by distilling the knowledge from both 2D and 3D diffusion models. The core idea of Points-to-3D is to introduce controllable sparse 3D points to guide the text-to-3D generation. Specifically, we use the sparse point cloud generated from the 3D diffusion model, Point-E, as the geometric prior, conditioned on a single reference image. To better utilize the sparse 3D points, we propose an efficient point cloud guidance loss to adaptively drive the NeRF's geometry to align with the shape of the sparse 3D points. In addition to controlling the geometry, we propose to optimize the NeRF for a more view-consistent appearance. To be specific, we perform score distillation to the publicly available 2D image diffusion model ControlNet, conditioned on text as well as depth map of the learned compact geometry. Qualitative and quantitative comparisons demonstrate that Points-to-3D improves view consistency and achieves good shape controllability for text-to-3D generation. Points-to-3D provides users with a new way to improve and control text-to-3D generation.

Extrapolating and Decoupling Image-to-Video Generation Models: Motion Modeling is Easier Than You Think

Image-to-Video (I2V) generation aims to synthesize a video clip according to a given image and condition (e.g., text). The key challenge of this task lies in simultaneously generating natural motions while preserving the original appearance of the images. However, current I2V diffusion models (I2V-DMs) often produce videos with limited motion degrees or exhibit uncontrollable motion that conflicts with the textual condition. To address these limitations, we propose a novel Extrapolating and Decoupling framework, which introduces model merging techniques to the I2V domain for the first time. Specifically, our framework consists of three separate stages: (1) Starting with a base I2V-DM, we explicitly inject the textual condition into the temporal module using a lightweight, learnable adapter and fine-tune the integrated model to improve motion controllability. (2) We introduce a training-free extrapolation strategy to amplify the dynamic range of the motion, effectively reversing the fine-tuning process to enhance the motion degree significantly. (3) With the above two-stage models excelling in motion controllability and degree, we decouple the relevant parameters associated with each type of motion ability and inject them into the base I2V-DM. Since the I2V-DM handles different levels of motion controllability and dynamics at various denoising time steps, we adjust the motion-aware parameters accordingly over time. Extensive qualitative and quantitative experiments have been conducted to demonstrate the superiority of our framework over existing methods.

VideoControlNet: A Motion-Guided Video-to-Video Translation Framework by Using Diffusion Model with ControlNet

Recently, diffusion models like StableDiffusion have achieved impressive image generation results. However, the generation process of such diffusion models is uncontrollable, which makes it hard to generate videos with continuous and consistent content. In this work, by using the diffusion model with ControlNet, we proposed a new motion-guided video-to-video translation framework called VideoControlNet to generate various videos based on the given prompts and the condition from the input video. Inspired by the video codecs that use motion information for reducing temporal redundancy, our framework uses motion information to prevent the regeneration of the redundant areas for content consistency. Specifically, we generate the first frame (i.e., the I-frame) by using the diffusion model with ControlNet. Then we generate other key frames (i.e., the P-frame) based on the previous I/P-frame by using our newly proposed motion-guided P-frame generation (MgPG) method, in which the P-frames are generated based on the motion information and the occlusion areas are inpainted by using the diffusion model. Finally, the rest frames (i.e., the B-frame) are generated by using our motion-guided B-frame interpolation (MgBI) module. Our experiments demonstrate that our proposed VideoControlNet inherits the generation capability of the pre-trained large diffusion model and extends the image diffusion model to the video diffusion model by using motion information. More results are provided at our project page.

Unbounded: A Generative Infinite Game of Character Life Simulation

We introduce the concept of a generative infinite game, a video game that transcends the traditional boundaries of finite, hard-coded systems by using generative models. Inspired by James P. Carse's distinction between finite and infinite games, we leverage recent advances in generative AI to create Unbounded: a game of character life simulation that is fully encapsulated in generative models. Specifically, Unbounded draws inspiration from sandbox life simulations and allows you to interact with your autonomous virtual character in a virtual world by feeding, playing with and guiding it - with open-ended mechanics generated by an LLM, some of which can be emergent. In order to develop Unbounded, we propose technical innovations in both the LLM and visual generation domains. Specifically, we present: (1) a specialized, distilled large language model (LLM) that dynamically generates game mechanics, narratives, and character interactions in real-time, and (2) a new dynamic regional image prompt Adapter (IP-Adapter) for vision models that ensures consistent yet flexible visual generation of a character across multiple environments. We evaluate our system through both qualitative and quantitative analysis, showing significant improvements in character life simulation, user instruction following, narrative coherence, and visual consistency for both characters and the environments compared to traditional related approaches.

Unlearnable Clusters: Towards Label-agnostic Unlearnable Examples

There is a growing interest in developing unlearnable examples (UEs) against visual privacy leaks on the Internet. UEs are training samples added with invisible but unlearnable noise, which have been found can prevent unauthorized training of machine learning models. UEs typically are generated via a bilevel optimization framework with a surrogate model to remove (minimize) errors from the original samples, and then applied to protect the data against unknown target models. However, existing UE generation methods all rely on an ideal assumption called label-consistency, where the hackers and protectors are assumed to hold the same label for a given sample. In this work, we propose and promote a more practical label-agnostic setting, where the hackers may exploit the protected data quite differently from the protectors. E.g., a m-class unlearnable dataset held by the protector may be exploited by the hacker as a n-class dataset. Existing UE generation methods are rendered ineffective in this challenging setting. To tackle this challenge, we present a novel technique called Unlearnable Clusters (UCs) to generate label-agnostic unlearnable examples with cluster-wise perturbations. Furthermore, we propose to leverage VisionandLanguage Pre-trained Models (VLPMs) like CLIP as the surrogate model to improve the transferability of the crafted UCs to diverse domains. We empirically verify the effectiveness of our proposed approach under a variety of settings with different datasets, target models, and even commercial platforms Microsoft Azure and Baidu PaddlePaddle. Code is available at https://github.com/jiamingzhang94/Unlearnable-Clusters.

What's the Magic Word? A Control Theory of LLM Prompting

Prompt engineering is crucial for deploying LLMs but is poorly understood mathematically. We formalize LLM systems as a class of discrete stochastic dynamical systems to explore prompt engineering through the lens of control theory. We investigate the reachable set of output token sequences R_y(mathbf x_0) for which there exists a control input sequence mathbf u for each mathbf y in R_y(mathbf x_0) that steers the LLM to output mathbf y from initial state sequence mathbf x_0. We offer analytic analysis on the limitations on the controllability of self-attention in terms of reachable set, where we prove an upper bound on the reachable set of outputs R_y(mathbf x_0) as a function of the singular values of the parameter matrices. We present complementary empirical analysis on the controllability of a panel of LLMs, including Falcon-7b, Llama-7b, and Falcon-40b. Our results demonstrate a lower bound on the reachable set of outputs R_y(mathbf x_0) w.r.t. initial state sequences mathbf x_0 sampled from the Wikitext dataset. We find that the correct next Wikitext token following sequence mathbf x_0 is reachable over 97% of the time with prompts of kleq 10 tokens. We also establish that the top 75 most likely next tokens, as estimated by the LLM itself, are reachable at least 85% of the time with prompts of kleq 10 tokens. Intriguingly, short prompt sequences can dramatically alter the likelihood of specific outputs, even making the least likely tokens become the most likely ones. This control-centric analysis of LLMs demonstrates the significant and poorly understood role of input sequences in steering output probabilities, offering a foundational perspective for enhancing language model system capabilities.

To Generate or Not? Safety-Driven Unlearned Diffusion Models Are Still Easy To Generate Unsafe Images ... For Now

The recent advances in diffusion models (DMs) have revolutionized the generation of realistic and complex images. However, these models also introduce potential safety hazards, such as producing harmful content and infringing data copyrights. Despite the development of safety-driven unlearning techniques to counteract these challenges, doubts about their efficacy persist. To tackle this issue, we introduce an evaluation framework that leverages adversarial prompts to discern the trustworthiness of these safety-driven DMs after they have undergone the process of unlearning harmful concepts. Specifically, we investigated the adversarial robustness of DMs, assessed by adversarial prompts, when eliminating unwanted concepts, styles, and objects. We develop an effective and efficient adversarial prompt generation approach for DMs, termed UnlearnDiffAtk. This method capitalizes on the intrinsic classification abilities of DMs to simplify the creation of adversarial prompts, thereby eliminating the need for auxiliary classification or diffusion models.Through extensive benchmarking, we evaluate the robustness of five widely-used safety-driven unlearned DMs (i.e., DMs after unlearning undesirable concepts, styles, or objects) across a variety of tasks. Our results demonstrate the effectiveness and efficiency merits of UnlearnDiffAtk over the state-of-the-art adversarial prompt generation method and reveal the lack of robustness of current safety-driven unlearning techniques when applied to DMs. Codes are available at https://github.com/OPTML-Group/Diffusion-MU-Attack. WARNING: This paper contains model outputs that may be offensive in nature.

ASID: Active Exploration for System Identification in Robotic Manipulation

Model-free control strategies such as reinforcement learning have shown the ability to learn control strategies without requiring an accurate model or simulator of the world. While this is appealing due to the lack of modeling requirements, such methods can be sample inefficient, making them impractical in many real-world domains. On the other hand, model-based control techniques leveraging accurate simulators can circumvent these challenges and use a large amount of cheap simulation data to learn controllers that can effectively transfer to the real world. The challenge with such model-based techniques is the requirement for an extremely accurate simulation, requiring both the specification of appropriate simulation assets and physical parameters. This requires considerable human effort to design for every environment being considered. In this work, we propose a learning system that can leverage a small amount of real-world data to autonomously refine a simulation model and then plan an accurate control strategy that can be deployed in the real world. Our approach critically relies on utilizing an initial (possibly inaccurate) simulator to design effective exploration policies that, when deployed in the real world, collect high-quality data. We demonstrate the efficacy of this paradigm in identifying articulation, mass, and other physical parameters in several challenging robotic manipulation tasks, and illustrate that only a small amount of real-world data can allow for effective sim-to-real transfer. Project website at https://weirdlabuw.github.io/asid

Model scale versus domain knowledge in statistical forecasting of chaotic systems

Chaos and unpredictability are traditionally synonymous, yet large-scale machine learning methods recently have demonstrated a surprising ability to forecast chaotic systems well beyond typical predictability horizons. However, recent works disagree on whether specialized methods grounded in dynamical systems theory, such as reservoir computers or neural ordinary differential equations, outperform general-purpose large-scale learning methods such as transformers or recurrent neural networks. These prior studies perform comparisons on few individually-chosen chaotic systems, thereby precluding robust quantification of how statistical modeling choices and dynamical invariants of different chaotic systems jointly determine empirical predictability. Here, we perform the largest to-date comparative study of forecasting methods on the classical problem of forecasting chaos: we benchmark 24 state-of-the-art forecasting methods on a crowdsourced database of 135 low-dimensional systems with 17 forecast metrics. We find that large-scale, domain-agnostic forecasting methods consistently produce predictions that remain accurate up to two dozen Lyapunov times, thereby accessing a new long-horizon forecasting regime well beyond classical methods. We find that, in this regime, accuracy decorrelates with classical invariant measures of predictability like the Lyapunov exponent. However, in data-limited settings outside the long-horizon regime, we find that physics-based hybrid methods retain a comparative advantage due to their strong inductive biases.

Case Studies for Computing Density of Reachable States for Safe Autonomous Motion Planning

Density of the reachable states can help understand the risk of safety-critical systems, especially in situations when worst-case reachability is too conservative. Recent work provides a data-driven approach to compute the density distribution of autonomous systems' forward reachable states online. In this paper, we study the use of such approach in combination with model predictive control for verifiable safe path planning under uncertainties. We first use the learned density distribution to compute the risk of collision online. If such risk exceeds the acceptable threshold, our method will plan for a new path around the previous trajectory, with the risk of collision below the threshold. Our method is well-suited to handle systems with uncertainties and complicated dynamics as our data-driven approach does not need an analytical form of the systems' dynamics and can estimate forward state density with an arbitrary initial distribution of uncertainties. We design two challenging scenarios (autonomous driving and hovercraft control) for safe motion planning in environments with obstacles under system uncertainties. We first show that our density estimation approach can reach a similar accuracy as the Monte-Carlo-based method while using only 0.01X training samples. By leveraging the estimated risk, our algorithm achieves the highest success rate in goal reaching when enforcing the safety rate above 0.99.

A Novel Bifurcation Method for Observation Perturbation Attacks on Reinforcement Learning Agents: Load Altering Attacks on a Cyber Physical Power System

Components of cyber physical systems, which affect real-world processes, are often exposed to the internet. Replacing conventional control methods with Deep Reinforcement Learning (DRL) in energy systems is an active area of research, as these systems become increasingly complex with the advent of renewable energy sources and the desire to improve their efficiency. Artificial Neural Networks (ANN) are vulnerable to specific perturbations of their inputs or features, called adversarial examples. These perturbations are difficult to detect when properly regularized, but have significant effects on the ANN's output. Because DRL uses ANN to map optimal actions to observations, they are similarly vulnerable to adversarial examples. This work proposes a novel attack technique for continuous control using Group Difference Logits loss with a bifurcation layer. By combining aspects of targeted and untargeted attacks, the attack significantly increases the impact compared to an untargeted attack, with drastically smaller distortions than an optimally targeted attack. We demonstrate the impacts of powerful gradient-based attacks in a realistic smart energy environment, show how the impacts change with different DRL agents and training procedures, and use statistical and time-series analysis to evaluate attacks' stealth. The results show that adversarial attacks can have significant impacts on DRL controllers, and constraining an attack's perturbations makes it difficult to detect. However, certain DRL architectures are far more robust, and robust training methods can further reduce the impact.

Safe Reinforcement Learning with Minimal Supervision

Reinforcement learning (RL) in the real world necessitates the development of procedures that enable agents to explore without causing harm to themselves or others. The most successful solutions to the problem of safe RL leverage offline data to learn a safe-set, enabling safe online exploration. However, this approach to safe-learning is often constrained by the demonstrations that are available for learning. In this paper we investigate the influence of the quantity and quality of data used to train the initial safe learning problem offline on the ability to learn safe-RL policies online. Specifically, we focus on tasks with spatially extended goal states where we have few or no demonstrations available. Classically this problem is addressed either by using hand-designed controllers to generate data or by collecting user-generated demonstrations. However, these methods are often expensive and do not scale to more complex tasks and environments. To address this limitation we propose an unsupervised RL-based offline data collection procedure, to learn complex and scalable policies without the need for hand-designed controllers or user demonstrations. Our research demonstrates the significance of providing sufficient demonstrations for agents to learn optimal safe-RL policies online, and as a result, we propose optimistic forgetting, a novel online safe-RL approach that is practical for scenarios with limited data. Further, our unsupervised data collection approach highlights the need to balance diversity and optimality for safe online exploration.

Explore and Control with Adversarial Surprise

Unsupervised reinforcement learning (RL) studies how to leverage environment statistics to learn useful behaviors without the cost of reward engineering. However, a central challenge in unsupervised RL is to extract behaviors that meaningfully affect the world and cover the range of possible outcomes, without getting distracted by inherently unpredictable, uncontrollable, and stochastic elements in the environment. To this end, we propose an unsupervised RL method designed for high-dimensional, stochastic environments based on an adversarial game between two policies (which we call Explore and Control) controlling a single body and competing over the amount of observation entropy the agent experiences. The Explore agent seeks out states that maximally surprise the Control agent, which in turn aims to minimize surprise, and thereby manipulate the environment to return to familiar and predictable states. The competition between these two policies drives them to seek out increasingly surprising parts of the environment while learning to gain mastery over them. We show formally that the resulting algorithm maximizes coverage of the underlying state in block MDPs with stochastic observations, providing theoretical backing to our hypothesis that this procedure avoids uncontrollable and stochastic distractions. Our experiments further demonstrate that Adversarial Surprise leads to the emergence of complex and meaningful skills, and outperforms state-of-the-art unsupervised reinforcement learning methods in terms of both exploration and zero-shot transfer to downstream tasks.