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Apr 30

TxGemma: Efficient and Agentic LLMs for Therapeutics

Therapeutic development is a costly and high-risk endeavor that is often plagued by high failure rates. To address this, we introduce TxGemma, a suite of efficient, generalist large language models (LLMs) capable of therapeutic property prediction as well as interactive reasoning and explainability. Unlike task-specific models, TxGemma synthesizes information from diverse sources, enabling broad application across the therapeutic development pipeline. The suite includes 2B, 9B, and 27B parameter models, fine-tuned from Gemma-2 on a comprehensive dataset of small molecules, proteins, nucleic acids, diseases, and cell lines. Across 66 therapeutic development tasks, TxGemma achieved superior or comparable performance to the state-of-the-art generalist model on 64 (superior on 45), and against state-of-the-art specialist models on 50 (superior on 26). Fine-tuning TxGemma models on therapeutic downstream tasks, such as clinical trial adverse event prediction, requires less training data than fine-tuning base LLMs, making TxGemma suitable for data-limited applications. Beyond these predictive capabilities, TxGemma features conversational models that bridge the gap between general LLMs and specialized property predictors. These allow scientists to interact in natural language, provide mechanistic reasoning for predictions based on molecular structure, and engage in scientific discussions. Building on this, we further introduce Agentic-Tx, a generalist therapeutic agentic system powered by Gemini 2.5 that reasons, acts, manages diverse workflows, and acquires external domain knowledge. Agentic-Tx surpasses prior leading models on the Humanity's Last Exam benchmark (Chemistry & Biology) with 52.3% relative improvement over o3-mini (high) and 26.7% over o3-mini (high) on GPQA (Chemistry) and excels with improvements of 6.3% (ChemBench-Preference) and 2.4% (ChemBench-Mini) over o3-mini (high).

MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses

Scientific discovery contributes largely to human society's prosperity, and recent progress shows that LLMs could potentially catalyze this process. However, it is still unclear whether LLMs can discover novel and valid hypotheses in chemistry. In this work, we investigate this central research question: Can LLMs automatically discover novel and valid chemistry research hypotheses given only a chemistry research background (consisting of a research question and/or a background survey), without limitation on the domain of the research question? After extensive discussions with chemistry experts, we propose an assumption that a majority of chemistry hypotheses can be resulted from a research background and several inspirations. With this key insight, we break the central question into three smaller fundamental questions. In brief, they are: (1) given a background question, whether LLMs can retrieve good inspirations; (2) with background and inspirations, whether LLMs can lead to hypothesis; and (3) whether LLMs can identify good hypotheses to rank them higher. To investigate these questions, we construct a benchmark consisting of 51 chemistry papers published in Nature, Science, or a similar level in 2024 (all papers are only available online since 2024). Every paper is divided by chemistry PhD students into three components: background, inspirations, and hypothesis. The goal is to rediscover the hypothesis, given only the background and a large randomly selected chemistry literature corpus consisting the ground truth inspiration papers, with LLMs trained with data up to 2023. We also develop an LLM-based multi-agent framework that leverages the assumption, consisting of three stages reflecting the three smaller questions. The proposed method can rediscover many hypotheses with very high similarity with the ground truth ones, covering the main innovations.

Multi-Agent Large Language Models for Conversational Task-Solving

In an era where single large language models have dominated the landscape of artificial intelligence for years, multi-agent systems arise as new protagonists in conversational task-solving. While previous studies have showcased their potential in reasoning tasks and creative endeavors, an analysis of their limitations concerning the conversational paradigms and the impact of individual agents is missing. It remains unascertained how multi-agent discussions perform across tasks of varying complexity and how the structure of these conversations influences the process. To fill that gap, this work systematically evaluates multi-agent systems across various discussion paradigms, assessing their strengths and weaknesses in both generative tasks and question-answering tasks. Alongside the experiments, I propose a taxonomy of 20 multi-agent research studies from 2022 to 2024, followed by the introduction of a framework for deploying multi-agent LLMs in conversational task-solving. I demonstrate that while multi-agent systems excel in complex reasoning tasks, outperforming a single model by leveraging expert personas, they fail on basic tasks. Concretely, I identify three challenges that arise: 1) While longer discussions enhance reasoning, agents fail to maintain conformity to strict task requirements, which leads to problem drift, making shorter conversations more effective for basic tasks. 2) Prolonged discussions risk alignment collapse, raising new safety concerns for these systems. 3) I showcase discussion monopolization through long generations, posing the problem of fairness in decision-making for tasks like summarization. This work uncovers both the potential and challenges that arise with multi-agent interaction and varying conversational paradigms, providing insights into how future research could improve the efficiency, performance, and safety of multi-agent LLMs.

Meaning at the Planck scale? Contextualized word embeddings for doing history, philosophy, and sociology of science

This paper explores the potential of contextualized word embeddings (CWEs) as a new tool in the history, philosophy, and sociology of science (HPSS) for studying contextual and evolving meanings of scientific concepts. Using the term "Planck" as a test case, I evaluate five BERT-based models with varying degrees of domain-specific pretraining, including my custom model Astro-HEP-BERT, trained on the Astro-HEP Corpus, a dataset containing 21.84 million paragraphs from 600,000 articles in astrophysics and high-energy physics. For this analysis, I compiled two labeled datasets: (1) the Astro-HEP-Planck Corpus, consisting of 2,900 labeled occurrences of "Planck" sampled from 1,500 paragraphs in the Astro-HEP Corpus, and (2) a physics-related Wikipedia dataset comprising 1,186 labeled occurrences of "Planck" across 885 paragraphs. Results demonstrate that the domain-adapted models outperform the general-purpose ones in disambiguating the target term, predicting its known meanings, and generating high-quality sense clusters, as measured by a novel purity indicator I developed. Additionally, this approach reveals semantic shifts in the target term over three decades in the unlabeled Astro-HEP Corpus, highlighting the emergence of the Planck space mission as a dominant sense. The study underscores the importance of domain-specific pretraining for analyzing scientific language and demonstrates the cost-effectiveness of adapting pretrained models for HPSS research. By offering a scalable and transferable method for modeling the meanings of scientific concepts, CWEs open up new avenues for investigating the socio-historical dynamics of scientific discourses.

Knowledge Graph in Astronomical Research with Large Language Models: Quantifying Driving Forces in Interdisciplinary Scientific Discovery

Identifying and predicting the factors that contribute to the success of interdisciplinary research is crucial for advancing scientific discovery. However, there is a lack of methods to quantify the integration of new ideas and technological advancements in astronomical research and how these new technologies drive further scientific breakthroughs. Large language models, with their ability to extract key concepts from vast literature beyond keyword searches, provide a new tool to quantify such processes. In this study, we extracted concepts in astronomical research from 297,807 publications between 1993 and 2024 using large language models, resulting in a set of 24,939 concepts. These concepts were then used to form a knowledge graph, where the link strength between any two concepts was determined by their relevance through the citation-reference relationships. By calculating this relevance across different time periods, we quantified the impact of numerical simulations and machine learning on astronomical research. The knowledge graph demonstrates two phases of development: a phase where the technology was integrated and another where the technology was explored in scientific discovery. The knowledge graph reveals that despite machine learning has made much inroad in astronomy, there is currently a lack of new concept development at the intersection of AI and Astronomy, which may be the current bottleneck preventing machine learning from further transforming the field of astronomy.

Rethinking Explainability as a Dialogue: A Practitioner's Perspective

As practitioners increasingly deploy machine learning models in critical domains such as health care, finance, and policy, it becomes vital to ensure that domain experts function effectively alongside these models. Explainability is one way to bridge the gap between human decision-makers and machine learning models. However, most of the existing work on explainability focuses on one-off, static explanations like feature importances or rule lists. These sorts of explanations may not be sufficient for many use cases that require dynamic, continuous discovery from stakeholders. In the literature, few works ask decision-makers about the utility of existing explanations and other desiderata they would like to see in an explanation going forward. In this work, we address this gap and carry out a study where we interview doctors, healthcare professionals, and policymakers about their needs and desires for explanations. Our study indicates that decision-makers would strongly prefer interactive explanations in the form of natural language dialogues. Domain experts wish to treat machine learning models as "another colleague", i.e., one who can be held accountable by asking why they made a particular decision through expressive and accessible natural language interactions. Considering these needs, we outline a set of five principles researchers should follow when designing interactive explanations as a starting place for future work. Further, we show why natural language dialogues satisfy these principles and are a desirable way to build interactive explanations. Next, we provide a design of a dialogue system for explainability and discuss the risks, trade-offs, and research opportunities of building these systems. Overall, we hope our work serves as a starting place for researchers and engineers to design interactive explainability systems.

Disagreement as a way to study misinformation and its effects

Misinformation - false or misleading information - is considered a significant societal concern due to its associated "misinformation effects," such as political polarization, erosion of trust in institutions, problematic behavior, and public health challenges. However, the prevailing concept is misaligned with what is studied. While misinformation focuses on instances of information about factual matters, the broad spectrum of effects often manifests at a societal level and is shaped by a wide range of interdependent factors such as identity, values, opinions, epistemologies, and disagreements. Unsurprisingly, misinformation effects can occur without the prevalence of misinformation, and misinformation does not necessarily increase the effects studied. Here, we propose using disagreement - conflicting attitudes and beliefs between individuals and communities - as a way to study misinformation effects because it addresses the identified conceptual limitations of misinformation. Furthermore, unlike misinformation, disagreement does not require researchers to determine whether a given information is false or misleading. Thus, it can be studied and, more importantly, measured without the need to make a normative judgment about a given information, even when the specific topic is entirely removed, as we show in a longitudinal disagreement measurement. We demonstrate that disagreement, as a holistic concept, provides better explanations for the occurrence of misinformation effects, enhances precision in developing appropriate interventions, and offers a promising approach for evaluating them through quantification. Finally, we show how disagreement addresses current misinformation research questions and conclude with recommendations for research practice.

Detecting Fallacies in Climate Misinformation: A Technocognitive Approach to Identifying Misleading Argumentation

Misinformation about climate change is a complex societal issue requiring holistic, interdisciplinary solutions at the intersection between technology and psychology. One proposed solution is a "technocognitive" approach, involving the synthesis of psychological and computer science research. Psychological research has identified that interventions in response to misinformation require both fact-based (e.g., factual explanations) and technique-based (e.g., explanations of misleading techniques) content. However, little progress has been made on documenting and detecting fallacies in climate misinformation. In this study, we apply a previously developed critical thinking methodology for deconstructing climate misinformation, in order to develop a dataset mapping different types of climate misinformation to reasoning fallacies. This dataset is used to train a model to detect fallacies in climate misinformation. Our study shows F1 scores that are 2.5 to 3.5 better than previous works. The fallacies that are easiest to detect include fake experts and anecdotal arguments, while fallacies that require background knowledge, such as oversimplification, misrepresentation, and slothful induction, are relatively more difficult to detect. This research lays the groundwork for development of solutions where automatically detected climate misinformation can be countered with generative technique-based corrections.

This Thing Called Fairness: Disciplinary Confusion Realizing a Value in Technology

The explosion in the use of software in important sociotechnical systems has renewed focus on the study of the way technical constructs reflect policies, norms, and human values. This effort requires the engagement of scholars and practitioners from many disciplines. And yet, these disciplines often conceptualize the operative values very differently while referring to them using the same vocabulary. The resulting conflation of ideas confuses discussions about values in technology at disciplinary boundaries. In the service of improving this situation, this paper examines the value of shared vocabularies, analytics, and other tools that facilitate conversations about values in light of these disciplinary specific conceptualizations, the role such tools play in furthering research and practice, outlines different conceptions of "fairness" deployed in discussions about computer systems, and provides an analytic tool for interdisciplinary discussions and collaborations around the concept of fairness. We use a case study of risk assessments in criminal justice applications to both motivate our effort--describing how conflation of different concepts under the banner of "fairness" led to unproductive confusion--and illustrate the value of the fairness analytic by demonstrating how the rigorous analysis it enables can assist in identifying key areas of theoretical, political, and practical misunderstanding or disagreement, and where desired support alignment or collaboration in the absence of consensus.

What if LLMs Have Different World Views: Simulating Alien Civilizations with LLM-based Agents

In this study, we introduce "CosmoAgent," an innovative artificial intelligence framework utilizing Large Language Models (LLMs) to simulate complex interactions between human and extraterrestrial civilizations, with a special emphasis on Stephen Hawking's cautionary advice about not sending radio signals haphazardly into the universe. The goal is to assess the feasibility of peaceful coexistence while considering potential risks that could threaten well-intentioned civilizations. Employing mathematical models and state transition matrices, our approach quantitatively evaluates the development trajectories of civilizations, offering insights into future decision-making at critical points of growth and saturation. Furthermore, the paper acknowledges the vast diversity in potential living conditions across the universe, which could foster unique cosmologies, ethical codes, and worldviews among various civilizations. Recognizing the Earth-centric bias inherent in current LLM designs, we propose the novel concept of using LLMs with diverse ethical paradigms and simulating interactions between entities with distinct moral principles. This innovative research provides a new way to understand complex inter-civilizational dynamics, expanding our perspective while pioneering novel strategies for conflict resolution, crucial for preventing interstellar conflicts. We have also released the code and datasets to enable further academic investigation into this interesting area of research. The code is available at https://github.com/agiresearch/AlienAgent.

SocraSynth: Multi-LLM Reasoning with Conditional Statistics

Large language models (LLMs), while promising, face criticisms for biases, hallucinations, and a lack of reasoning capability. This paper introduces SocraSynth, a multi-LLM agent reasoning platform developed to mitigate these issues. SocraSynth utilizes conditional statistics and systematic context enhancement through continuous arguments, alongside adjustable debate contentiousness levels. The platform typically involves a human moderator and two LLM agents representing opposing viewpoints on a given subject. SocraSynth operates in two main phases: knowledge generation and reasoning evaluation. In the knowledge generation phase, the moderator defines the debate topic and contentiousness level, prompting the agents to formulate supporting arguments for their respective stances. The reasoning evaluation phase then employs Socratic reasoning and formal logic principles to appraise the quality of the arguments presented. The dialogue concludes with the moderator adjusting the contentiousness from confrontational to collaborative, gathering final, conciliatory remarks to aid in human reasoning and decision-making. Through case studies in three distinct application domains, this paper showcases SocraSynth's effectiveness in fostering rigorous research, dynamic reasoning, comprehensive assessment, and enhanced collaboration. This underscores the value of multi-agent interactions in leveraging LLMs for advanced knowledge extraction and decision-making support.

AI, write an essay for me: A large-scale comparison of human-written versus ChatGPT-generated essays

Background: Recently, ChatGPT and similar generative AI models have attracted hundreds of millions of users and become part of the public discourse. Many believe that such models will disrupt society and will result in a significant change in the education system and information generation in the future. So far, this belief is based on either colloquial evidence or benchmarks from the owners of the models -- both lack scientific rigour. Objective: Through a large-scale study comparing human-written versus ChatGPT-generated argumentative student essays, we systematically assess the quality of the AI-generated content. Methods: A large corpus of essays was rated using standard criteria by a large number of human experts (teachers). We augment the analysis with a consideration of the linguistic characteristics of the generated essays. Results: Our results demonstrate that ChatGPT generates essays that are rated higher for quality than human-written essays. The writing style of the AI models exhibits linguistic characteristics that are different from those of the human-written essays, e.g., it is characterized by fewer discourse and epistemic markers, but more nominalizations and greater lexical diversity. Conclusions: Our results clearly demonstrate that models like ChatGPT outperform humans in generating argumentative essays. Since the technology is readily available for anyone to use, educators must act immediately. We must re-invent homework and develop teaching concepts that utilize these AI models in the same way as math utilized the calculator: teach the general concepts first and then use AI tools to free up time for other learning objectives.

Can large language models provide useful feedback on research papers? A large-scale empirical analysis

Expert feedback lays the foundation of rigorous research. However, the rapid growth of scholarly production and intricate knowledge specialization challenge the conventional scientific feedback mechanisms. High-quality peer reviews are increasingly difficult to obtain. Researchers who are more junior or from under-resourced settings have especially hard times getting timely feedback. With the breakthrough of large language models (LLM) such as GPT-4, there is growing interest in using LLMs to generate scientific feedback on research manuscripts. However, the utility of LLM-generated feedback has not been systematically studied. To address this gap, we created an automated pipeline using GPT-4 to provide comments on the full PDFs of scientific papers. We evaluated the quality of GPT-4's feedback through two large-scale studies. We first quantitatively compared GPT-4's generated feedback with human peer reviewer feedback in 15 Nature family journals (3,096 papers in total) and the ICLR machine learning conference (1,709 papers). The overlap in the points raised by GPT-4 and by human reviewers (average overlap 30.85% for Nature journals, 39.23% for ICLR) is comparable to the overlap between two human reviewers (average overlap 28.58% for Nature journals, 35.25% for ICLR). The overlap between GPT-4 and human reviewers is larger for the weaker papers. We then conducted a prospective user study with 308 researchers from 110 US institutions in the field of AI and computational biology to understand how researchers perceive feedback generated by our GPT-4 system on their own papers. Overall, more than half (57.4%) of the users found GPT-4 generated feedback helpful/very helpful and 82.4% found it more beneficial than feedback from at least some human reviewers. While our findings show that LLM-generated feedback can help researchers, we also identify several limitations.

The Impact of Large Language Models on Scientific Discovery: a Preliminary Study using GPT-4

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within the context of scientific discovery, focusing on GPT-4, the state-of-the-art language model. Our investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial differential equations (PDE). Evaluating GPT-4 on scientific tasks is crucial for uncovering its potential across various research domains, validating its domain-specific expertise, accelerating scientific progress, optimizing resource allocation, guiding future model development, and fostering interdisciplinary research. Our exploration methodology primarily consists of expert-driven case assessments, which offer qualitative insights into the model's comprehension of intricate scientific concepts and relationships, and occasionally benchmark testing, which quantitatively evaluates the model's capacity to solve well-defined domain-specific problems. Our preliminary exploration indicates that GPT-4 exhibits promising potential for a variety of scientific applications, demonstrating its aptitude for handling complex problem-solving and knowledge integration tasks. Broadly speaking, we evaluate GPT-4's knowledge base, scientific understanding, scientific numerical calculation abilities, and various scientific prediction capabilities.

Understanding the Neutron Star Population with the SKA

Since their discovery in the late 1960's the population of known neutron stars (NSs) has grown to ~2500. The last five decades of observations have yielded many surprises and demonstrated that the observational properties of NSs are remarkably diverse. The surveys that will be performed with SKA (the Square Kilometre Array) will produce a further tenfold increase in the number of Galactic NSs known. Moreover, the SKA's broad spectral coverage, sub-arraying and multi-beaming capabilities will allow us to characterise these sources with unprecedented efficiency, in turn enabling a giant leap in the understanding of their properties. Here we review the NS population and outline our strategies for studying each of the growing number of diverse classes that are populating the "NS zoo". Some of the main scientific questions that will be addressed by the much larger statistical samples and vastly improved timing efficiency provided by SKA include: (i) the spin period and spin-down rate distributions (and thus magnetic fields) at birth, and the associated information about the SNe wherein they are formed; (ii) the radio pulsar-magnetar connection; (iii) the link between normal radio pulsars, intermittent pulsars and rotating radio transients; (iv) the slowest possible spin period for a radio pulsar (revealing the conditions at the pulsar death-line); (v) proper motions of pulsars (revealing SN kick physics); (vi) the mass distribution of NSs (vii) the fastest possible spin period for a recycled pulsar (constraining magnetosphere-accretion disc interactions, gravitational wave radiation and the equation-of-state); (viii) the origin of high eccentricity millisecond pulsars (MSPs); (ix) the formation channels for recently identified triple systems; and finally (x) how isolated MSPs are formed. We expect that the SKA will break new ground unveiling exotic systems that will challenge... [abridged]

What it takes to solve the Origin(s) of Life: An integrated review of techniques

Understanding the origin(s) of life (OoL) is a fundamental challenge for science in the 21st century. Research on OoL spans many disciplines, including chemistry, physics, biology, planetary sciences, computer science, mathematics and philosophy. The sheer number of different scientific perspectives relevant to the problem has resulted in the coexistence of diverse tools, techniques, data, and software in OoL studies. This has made communication between the disciplines relevant to the OoL extremely difficult because the interpretation of data, analyses, or standards of evidence can vary dramatically. Here, we hope to bridge this wide field of study by providing common ground via the consolidation of tools and techniques rather than positing a unifying view on how life emerges. We review the common tools and techniques that have been used significantly in OoL studies in recent years. In particular, we aim to identify which information is most relevant for comparing and integrating the results of experimental analyses into mathematical and computational models. This review aims to provide a baseline expectation and understanding of technical aspects of origins research, rather than being a primer on any particular topic. As such, it spans broadly -- from analytical chemistry to mathematical models -- and highlights areas of future work that will benefit from a multidisciplinary approach to tackling the mystery of life's origin. Ultimately, we hope to empower a new generation of OoL scientists by reviewing how they can investigate life's origin, rather than dictating how to think about the problem.

S2SNet: A Pretrained Neural Network for Superconductivity Discovery

Superconductivity allows electrical current to flow without any energy loss, and thus making solids superconducting is a grand goal of physics, material science, and electrical engineering. More than 16 Nobel Laureates have been awarded for their contribution to superconductivity research. Superconductors are valuable for sustainable development goals (SDGs), such as climate change mitigation, affordable and clean energy, industry, innovation and infrastructure, and so on. However, a unified physics theory explaining all superconductivity mechanism is still unknown. It is believed that superconductivity is microscopically due to not only molecular compositions but also the geometric crystal structure. Hence a new dataset, S2S, containing both crystal structures and superconducting critical temperature, is built upon SuperCon and Material Project. Based on this new dataset, we propose a novel model, S2SNet, which utilizes the attention mechanism for superconductivity prediction. To overcome the shortage of data, S2SNet is pre-trained on the whole Material Project dataset with Masked-Language Modeling (MLM). S2SNet makes a new state-of-the-art, with out-of-sample accuracy of 92% and Area Under Curve (AUC) of 0.92. To the best of our knowledge, S2SNet is the first work to predict superconductivity with only information of crystal structures. This work is beneficial to superconductivity discovery and further SDGs. Code and datasets are available in https://github.com/zjuKeLiu/S2SNet

Human-AI Teaming Using Large Language Models: Boosting Brain-Computer Interfacing (BCI) and Brain Research

Recently, there is an increasing interest in using artificial intelligence (AI) to automate aspects of the research process, or even autonomously conduct the full research cycle from idea generation, over data analysis, to composing and evaluation of scientific manuscripts. Examples of working AI scientist systems have been demonstrated for computer science tasks and running molecular biology labs. While some approaches aim for full autonomy of the scientific AI, others rather aim for leveraging human-AI teaming. Here, we address how to adapt such approaches for boosting Brain-Computer Interface (BCI) development, as well as brain research resp. neuroscience at large. We argue that at this time, a strong emphasis on human-AI teaming, in contrast to fully autonomous AI BCI researcher will be the most promising way forward. We introduce the collaborative workspaces concept for human-AI teaming based on a set of Janusian design principles, looking both ways, to the human as well as to the AI side. Based on these principles, we present ChatBCI, a Python-based toolbox for enabling human-AI collaboration based on interaction with Large Language Models (LLMs), designed for BCI research and development projects. We show how ChatBCI was successfully used in a concrete BCI project on advancing motor imagery decoding from EEG signals. Our approach can be straightforwardly extended to broad neurotechnological and neuroscientific topics, and may by design facilitate human expert knowledge transfer to scientific AI systems in general.

Unlocking Science: Novel Dataset and Benchmark for Cross-Modality Scientific Information Extraction

Extracting key information from scientific papers has the potential to help researchers work more efficiently and accelerate the pace of scientific progress. Over the last few years, research on Scientific Information Extraction (SciIE) witnessed the release of several new systems and benchmarks. However, existing paper-focused datasets mostly focus only on specific parts of a manuscript (e.g., abstracts) and are single-modality (i.e., text- or table-only), due to complex processing and expensive annotations. Moreover, core information can be present in either text or tables or across both. To close this gap in data availability and enable cross-modality IE, while alleviating labeling costs, we propose a semi-supervised pipeline for annotating entities in text, as well as entities and relations in tables, in an iterative procedure. Based on this pipeline, we release novel resources for the scientific community, including a high-quality benchmark, a large-scale corpus, and a semi-supervised annotation pipeline. We further report the performance of state-of-the-art IE models on the proposed benchmark dataset, as a baseline. Lastly, we explore the potential capability of large language models such as ChatGPT for the current task. Our new dataset, results, and analysis validate the effectiveness and efficiency of our semi-supervised pipeline, and we discuss its remaining limitations.

SciPIP: An LLM-based Scientific Paper Idea Proposer

The exponential growth of knowledge and the increasing complexity of interdisciplinary research pose significant challenges for researchers, including information overload and difficulties in exploring novel ideas. The advancements in large language models (LLMs), such as GPT-4, have shown great potential in enhancing idea proposals, but how to effectively utilize large models for reasonable idea proposal has not been thoroughly explored. This paper proposes a scientific paper idea proposer (SciPIP). Based on a user-provided research background, SciPIP retrieves helpful papers from a literature database while leveraging the capabilities of LLMs to generate more novel and feasible ideas. To this end, 1) we construct a literature retrieval database, extracting lots of papers' multi-dimension information for fast access. Then, a literature retrieval method based on semantics, entity, and citation co-occurrences is proposed to search relevant literature from multiple aspects based on the user-provided background. 2) After literature retrieval, we introduce dual-path idea proposal strategies, where one path infers solutions from the retrieved literature and the other path generates original ideas through model brainstorming. We then combine the two to achieve a good balance between feasibility and originality. Through extensive experiments on the natural language processing (NLP) field, we demonstrate that SciPIP can retrieve citations similar to those of existing top conference papers and generate many ideas consistent with them. Additionally, we evaluate the originality of other ideas generated by SciPIP using large language models, further validating the effectiveness of our proposed method. The code and the database are released at https://github.com/cheerss/SciPIP.

Shaping AI's Impact on Billions of Lives

Artificial Intelligence (AI), like any transformative technology, has the potential to be a double-edged sword, leading either toward significant advancements or detrimental outcomes for society as a whole. As is often the case when it comes to widely-used technologies in market economies (e.g., cars and semiconductor chips), commercial interest tends to be the predominant guiding factor. The AI community is at risk of becoming polarized to either take a laissez-faire attitude toward AI development, or to call for government overregulation. Between these two poles we argue for the community of AI practitioners to consciously and proactively work for the common good. This paper offers a blueprint for a new type of innovation infrastructure including 18 concrete milestones to guide AI research in that direction. Our view is that we are still in the early days of practical AI, and focused efforts by practitioners, policymakers, and other stakeholders can still maximize the upsides of AI and minimize its downsides. We talked to luminaries such as recent Nobelist John Jumper on science, President Barack Obama on governance, former UN Ambassador and former National Security Advisor Susan Rice on security, philanthropist Eric Schmidt on several topics, and science fiction novelist Neal Stephenson on entertainment. This ongoing dialogue and collaborative effort has produced a comprehensive, realistic view of what the actual impact of AI could be, from a diverse assembly of thinkers with deep understanding of this technology and these domains. From these exchanges, five recurring guidelines emerged, which form the cornerstone of a framework for beginning to harness AI in service of the public good. They not only guide our efforts in discovery but also shape our approach to deploying this transformative technology responsibly and ethically.

Étude cognitive des processus de construction d'une requête dans un système de gestion de connaissances médicales

This article presents the Cogni-CISMeF project, which aims at improving medical information search in the CISMeF system (Catalog and Index of French-language health resources) by including a conversational agent to interact with the user in natural language. To study the cognitive processes involved during the information search, a bottom-up methodology was adopted. Experimentation has been set up to obtain human dialogs between a user (playing the role of patient) dealing with medical information search and a CISMeF expert refining the request. The analysis of these dialogs underlined the use of discursive evidence: vocabulary, reformulation, implicit or explicit expression of user intentions, conversational sequences, etc. A model of artificial agent is proposed. It leads the user in its information search by proposing to him examples, assistance and choices. This model was implemented and integrated in the CISMeF system. ---- Cet article d\'ecrit le projet Cogni-CISMeF qui propose un module de dialogue Homme-Machine \`a int\'egrer dans le syst\`eme d'indexation de connaissances m\'edicales CISMeF (Catalogue et Index des Sites M\'edicaux Francophones). Nous avons adopt\'e une d\'emarche de mod\'elisation cognitive en proc\'edant \`a un recueil de corpus de dialogues entre un utilisateur (jouant le r\^ole d'un patient) d\'esirant une information m\'edicale et un expert CISMeF af inant cette demande pour construire la requ\^ete. Nous avons analys\'e la structure des dialogues ainsi obtenus et avons \'etudi\'e un certain nombre d'indices discursifs : vocabulaire employ\'e, marques de reformulation, commentaires m\'eta et \'epilinguistiques, expression implicite ou explicite des intentions de l'utilisateur, encha\^inement conversationnel, etc. De cette analyse, nous avons construit un mod\`ele d'agent artificiel dot\'e de capacit\'es cognitives capables d'aider l'utilisateur dans sa t\^ache de recherche d'information. Ce mod\`ele a \'et\'e impl\'ement\'e et int\'egr\'e dans le syst\`eme CISMeF.

The AI Scientist-v2: Workshop-Level Automated Scientific Discovery via Agentic Tree Search

AI is increasingly playing a pivotal role in transforming how scientific discoveries are made. We introduce The AI Scientist-v2, an end-to-end agentic system capable of producing the first entirely AI generated peer-review-accepted workshop paper. This system iteratively formulates scientific hypotheses, designs and executes experiments, analyzes and visualizes data, and autonomously authors scientific manuscripts. Compared to its predecessor (v1, Lu et al., 2024 arXiv:2408.06292), The AI Scientist-v2 eliminates the reliance on human-authored code templates, generalizes effectively across diverse machine learning domains, and leverages a novel progressive agentic tree-search methodology managed by a dedicated experiment manager agent. Additionally, we enhance the AI reviewer component by integrating a Vision-Language Model (VLM) feedback loop for iterative refinement of content and aesthetics of the figures. We evaluated The AI Scientist-v2 by submitting three fully autonomous manuscripts to a peer-reviewed ICLR workshop. Notably, one manuscript achieved high enough scores to exceed the average human acceptance threshold, marking the first instance of a fully AI-generated paper successfully navigating a peer review. This accomplishment highlights the growing capability of AI in conducting all aspects of scientific research. We anticipate that further advancements in autonomous scientific discovery technologies will profoundly impact human knowledge generation, enabling unprecedented scalability in research productivity and significantly accelerating scientific breakthroughs, greatly benefiting society at large. We have open-sourced the code at https://github.com/SakanaAI/AI-Scientist-v2 to foster the future development of this transformative technology. We also discuss the role of AI in science, including AI safety.

Mathematical Capabilities of ChatGPT

We investigate the mathematical capabilities of ChatGPT by testing it on publicly available datasets, as well as hand-crafted ones, and measuring its performance against other models trained on a mathematical corpus, such as Minerva. We also test whether ChatGPT can be a useful assistant to professional mathematicians by emulating various use cases that come up in the daily professional activities of mathematicians (question answering, theorem searching). In contrast to formal mathematics, where large databases of formal proofs are available (e.g., the Lean Mathematical Library), current datasets of natural-language mathematics, used to benchmark language models, only cover elementary mathematics. We address this issue by introducing a new dataset: GHOSTS. It is the first natural-language dataset made and curated by working researchers in mathematics that (1) aims to cover graduate-level mathematics and (2) provides a holistic overview of the mathematical capabilities of language models. We benchmark ChatGPT on GHOSTS and evaluate performance against fine-grained criteria. We make this new dataset publicly available to assist a community-driven comparison of ChatGPT with (future) large language models in terms of advanced mathematical comprehension. We conclude that contrary to many positive reports in the media (a potential case of selection bias), ChatGPT's mathematical abilities are significantly below those of an average mathematics graduate student. Our results show that ChatGPT often understands the question but fails to provide correct solutions. Hence, if your goal is to use it to pass a university exam, you would be better off copying from your average peer!

Hybrid Intelligence

Research has a long history of discussing what is superior in predicting certain outcomes: statistical methods or the human brain. This debate has repeatedly been sparked off by the remarkable technological advances in the field of artificial intelligence (AI), such as solving tasks like object and speech recognition, achieving significant improvements in accuracy through deep-learning algorithms (Goodfellow et al. 2016), or combining various methods of computational intelligence, such as fuzzy logic, genetic algorithms, and case-based reasoning (Medsker 2012). One of the implicit promises that underlie these advancements is that machines will 1 day be capable of performing complex tasks or may even supersede humans in performing these tasks. This triggers new heated debates of when machines will ultimately replace humans (McAfee and Brynjolfsson 2017). While previous research has proved that AI performs well in some clearly defined tasks such as playing chess, playing Go or identifying objects on images, it is doubted that the development of an artificial general intelligence (AGI) which is able to solve multiple tasks at the same time can be achieved in the near future (e.g., Russell and Norvig 2016). Moreover, the use of AI to solve complex business problems in organizational contexts occurs scarcely, and applications for AI that solve complex problems remain mainly in laboratory settings instead of being implemented in practice. Since the road to AGI is still a long one, we argue that the most likely paradigm for the division of labor between humans and machines in the next decades is Hybrid Intelligence. This concept aims at using the complementary strengths of human intelligence and AI, so that they can perform better than each of the two could separately (e.g., Kamar 2016).

SciClaimHunt: A Large Dataset for Evidence-based Scientific Claim Verification

Verifying scientific claims presents a significantly greater challenge than verifying political or news-related claims. Unlike the relatively broad audience for political claims, the users of scientific claim verification systems can vary widely, ranging from researchers testing specific hypotheses to everyday users seeking information on a medication. Additionally, the evidence for scientific claims is often highly complex, involving technical terminology and intricate domain-specific concepts that require specialized models for accurate verification. Despite considerable interest from the research community, there is a noticeable lack of large-scale scientific claim verification datasets to benchmark and train effective models. To bridge this gap, we introduce two large-scale datasets, SciClaimHunt and SciClaimHunt_Num, derived from scientific research papers. We propose several baseline models tailored for scientific claim verification to assess the effectiveness of these datasets. Additionally, we evaluate models trained on SciClaimHunt and SciClaimHunt_Num against existing scientific claim verification datasets to gauge their quality and reliability. Furthermore, we conduct human evaluations of the claims in proposed datasets and perform error analysis to assess the effectiveness of the proposed baseline models. Our findings indicate that SciClaimHunt and SciClaimHunt_Num serve as highly reliable resources for training models in scientific claim verification.

A 2.4% Determination of the Local Value of the Hubble Constant

We use the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST) to reduce the uncertainty in the local value of the Hubble constant (H_0) from 3.3% to 2.4%. Improvements come from new, near-infrared observations of Cepheid variables in 11 new hosts of recent SNe~Ia, more than doubling the sample of SNe~Ia having a Cepheid-calibrated distance for a total of 19; these leverage the magnitude-z relation based on 300 SNe~Ia at z<0.15. All 19 hosts and the megamaser system NGC4258 were observed with WFC3, thus nullifying cross-instrument zeropoint errors. Other improvements include a 33% reduction in the systematic uncertainty in the maser distance to NGC4258, more Cepheids and a more robust distance to the LMC from late-type DEBs, HST observations of Cepheids in M31, and new HST-based trigonometric parallaxes for Milky Way (MW) Cepheids. We consider four geometric distance calibrations of Cepheids: (i) megamasers in NGC4258, (ii) 8 DEBs in the LMC, (iii) 15 MW Cepheids with parallaxes, and (iv) 2 DEBs in M31. H_0 from each is 72.25+/-2.51, 72.04+/-2.67, 76.18+/-2.37, and 74.50+/-3.27 km/sec/Mpc, respectively. Our best estimate of 73.24+/-1.74 km/sec/Mpc combines the anchors NGC4258, MW, and LMC, and includes systematic errors for a final uncertainty of 2.4%. This value is 3.4 sigma higher than 66.93+/-0.62 km/sec/Mpc predicted by LambdaCDM with 3 neutrinos with mass 0.06 eV and the Planck data, but reduces to 2.1 sigma relative to the prediction of 69.3+/-0.7 km/sec/Mpc with the combination of WMAP+ACT+SPT+BAO, suggesting systematic uncertainties in CMB measurements may play a role in the tension. If we take the conflict between Planck and H_0 at face value, one plausible explanation could involve an additional source of dark radiation in the early Universe in the range of Delta N_eff=0.4-1. We anticipate significant improvements in H_0 from upcoming parallax measurements.

What's In Your Field? Mapping Scientific Research with Knowledge Graphs and Large Language Models

The scientific literature's exponential growth makes it increasingly challenging to navigate and synthesize knowledge across disciplines. Large language models (LLMs) are powerful tools for understanding scientific text, but they fail to capture detailed relationships across large bodies of work. Unstructured approaches, like retrieval augmented generation, can sift through such corpora to recall relevant facts; however, when millions of facts influence the answer, unstructured approaches become cost prohibitive. Structured representations offer a natural complement -- enabling systematic analysis across the whole corpus. Recent work enhances LLMs with unstructured or semistructured representations of scientific concepts; to complement this, we try extracting structured representations using LLMs. By combining LLMs' semantic understanding with a schema of scientific concepts, we prototype a system that answers precise questions about the literature as a whole. Our schema applies across scientific fields and we extract concepts from it using only 20 manually annotated abstracts. To demonstrate the system, we extract concepts from 30,000 papers on arXiv spanning astrophysics, fluid dynamics, and evolutionary biology. The resulting database highlights emerging trends and, by visualizing the knowledge graph, offers new ways to explore the ever-growing landscape of scientific knowledge. Demo: abby101/surveyor-0 on HF Spaces. Code: https://github.com/chiral-carbon/kg-for-science.