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Dec 11

Scaling Laws in Scientific Discovery with AI and Robot Scientists

Scientific discovery is poised for rapid advancement through advanced robotics and artificial intelligence. Current scientific practices face substantial limitations as manual experimentation remains time-consuming and resource-intensive, while multidisciplinary research demands knowledge integration beyond individual researchers' expertise boundaries. Here, we envision an autonomous generalist scientist (AGS) concept combines agentic AI and embodied robotics to automate the entire research lifecycle. This system could dynamically interact with both physical and virtual environments while facilitating the integration of knowledge across diverse scientific disciplines. By deploying these technologies throughout every research stage -- spanning literature review, hypothesis generation, experimentation, and manuscript writing -- and incorporating internal reflection alongside external feedback, this system aims to significantly reduce the time and resources needed for scientific discovery. Building on the evolution from virtual AI scientists to versatile generalist AI-based robot scientists, AGS promises groundbreaking potential. As these autonomous systems become increasingly integrated into the research process, we hypothesize that scientific discovery might adhere to new scaling laws, potentially shaped by the number and capabilities of these autonomous systems, offering novel perspectives on how knowledge is generated and evolves. The adaptability of embodied robots to extreme environments, paired with the flywheel effect of accumulating scientific knowledge, holds the promise of continually pushing beyond both physical and intellectual frontiers.

  • 10 authors
·
Mar 28 2

Superintelligent Agents Pose Catastrophic Risks: Can Scientist AI Offer a Safer Path?

The leading AI companies are increasingly focused on building generalist AI agents -- systems that can autonomously plan, act, and pursue goals across almost all tasks that humans can perform. Despite how useful these systems might be, unchecked AI agency poses significant risks to public safety and security, ranging from misuse by malicious actors to a potentially irreversible loss of human control. We discuss how these risks arise from current AI training methods. Indeed, various scenarios and experiments have demonstrated the possibility of AI agents engaging in deception or pursuing goals that were not specified by human operators and that conflict with human interests, such as self-preservation. Following the precautionary principle, we see a strong need for safer, yet still useful, alternatives to the current agency-driven trajectory. Accordingly, we propose as a core building block for further advances the development of a non-agentic AI system that is trustworthy and safe by design, which we call Scientist AI. This system is designed to explain the world from observations, as opposed to taking actions in it to imitate or please humans. It comprises a world model that generates theories to explain data and a question-answering inference machine. Both components operate with an explicit notion of uncertainty to mitigate the risks of overconfident predictions. In light of these considerations, a Scientist AI could be used to assist human researchers in accelerating scientific progress, including in AI safety. In particular, our system can be employed as a guardrail against AI agents that might be created despite the risks involved. Ultimately, focusing on non-agentic AI may enable the benefits of AI innovation while avoiding the risks associated with the current trajectory. We hope these arguments will motivate researchers, developers, and policymakers to favor this safer path.

CODA: Coordinating the Cerebrum and Cerebellum for a Dual-Brain Computer Use Agent with Decoupled Reinforcement Learning

Autonomous agents for Graphical User Interfaces (GUIs) face significant challenges in specialized domains such as scientific computing, where both long-horizon planning and precise execution are required. Existing approaches suffer from a trade-off: generalist agents excel at planning but perform poorly in execution, while specialized agents demonstrate the opposite weakness. Recent compositional frameworks attempt to bridge this gap by combining a planner and an actor, but they are typically static and non-trainable, which prevents adaptation from experience. This is a critical limitation given the scarcity of high-quality data in scientific domains. To address these limitations, we introduce CODA, a novel and trainable compositional framework that integrates a generalist planner (Cerebrum) with a specialist executor (Cerebellum), trained via a dedicated two-stage pipeline. In the first stage, Specialization, we apply a decoupled GRPO approach to train an expert planner for each scientific application individually, bootstrapping from a small set of task trajectories. In the second stage, Generalization, we aggregate all successful trajectories from the specialized experts to build a consolidated dataset, which is then used for supervised fine-tuning of the final planner. This equips CODA with both robust execution and cross-domain generalization. Evaluated on four challenging applications from the ScienceBoard benchmark, CODA significantly outperforms baselines and establishes a new state of the art among open-source models.

  • 11 authors
·
Aug 27 2

SEAgent: Self-Evolving Computer Use Agent with Autonomous Learning from Experience

Repurposing large vision-language models (LVLMs) as computer use agents (CUAs) has led to substantial breakthroughs, primarily driven by human-labeled data. However, these models often struggle with novel and specialized software, particularly in scenarios lacking human annotations. To address this challenge, we propose SEAgent, an agentic self-evolving framework enabling CUAs to autonomously evolve through interactions with unfamiliar software. Specifically, SEAgent empowers computer-use agents to autonomously master novel software environments via experiential learning, where agents explore new software, learn through iterative trial-and-error, and progressively tackle auto-generated tasks organized from simple to complex. To achieve this goal, we design a World State Model for step-wise trajectory assessment, along with a Curriculum Generator that generates increasingly diverse and challenging tasks. The agent's policy is updated through experiential learning, comprised of adversarial imitation of failure actions and Group Relative Policy Optimization (GRPO) on successful ones. Furthermore, we introduce a specialist-to-generalist training strategy that integrates individual experiential insights from specialist agents, facilitating the development of a stronger generalist CUA capable of continuous autonomous evolution. This unified agent ultimately achieves performance surpassing ensembles of individual specialist agents on their specialized software. We validate the effectiveness of SEAgent across five novel software environments within OS-World. Our approach achieves a significant improvement of 23.2% in success rate, from 11.3% to 34.5%, over a competitive open-source CUA, i.e., UI-TARS.

  • 8 authors
·
Aug 6 2

Proposer-Agent-Evaluator(PAE): Autonomous Skill Discovery For Foundation Model Internet Agents

The vision of a broadly capable and goal-directed agent, such as an Internet-browsing agent in the digital world and a household humanoid in the physical world, has rapidly advanced, thanks to the generalization capability of foundation models. Such a generalist agent needs to have a large and diverse skill repertoire, such as finding directions between two travel locations and buying specific items from the Internet. If each skill needs to be specified manually through a fixed set of human-annotated instructions, the agent's skill repertoire will necessarily be limited due to the quantity and diversity of human-annotated instructions. In this work, we address this challenge by proposing Proposer-Agent-Evaluator, an effective learning system that enables foundation model agents to autonomously discover and practice skills in the wild. At the heart of PAE is a context-aware task proposer that autonomously proposes tasks for the agent to practice with context information of the environment such as user demos or even just the name of the website itself for Internet-browsing agents. Then, the agent policy attempts those tasks with thoughts and actual grounded operations in the real world with resulting trajectories evaluated by an autonomous VLM-based success evaluator. The success evaluation serves as the reward signal for the agent to refine its policies through RL. We validate PAE on challenging vision-based web navigation, using both real-world and self-hosted websites from WebVoyager and WebArena.To the best of our knowledge, this work represents the first effective learning system to apply autonomous task proposal with RL for agents that generalizes real-world human-annotated benchmarks with SOTA performances. Our open-source checkpoints and code can be found in https://yanqval.github.io/PAE/

  • 8 authors
·
Dec 17, 2024 2

Alita: Generalist Agent Enabling Scalable Agentic Reasoning with Minimal Predefinition and Maximal Self-Evolution

Recent advances in large language models (LLMs) have enabled agents to autonomously perform complex, open-ended tasks. However, many existing frameworks depend heavily on manually predefined tools and workflows, which hinder their adaptability, scalability, and generalization across domains. In this work, we introduce Alita--a generalist agent designed with the principle of "Simplicity is the ultimate sophistication," enabling scalable agentic reasoning through minimal predefinition and maximal self-evolution. For minimal predefinition, Alita is equipped with only one component for direct problem-solving, making it much simpler and neater than previous approaches that relied heavily on hand-crafted, elaborate tools and workflows. This clean design enhances its potential to generalize to challenging questions, without being limited by tools. For Maximal self-evolution, we enable the creativity of Alita by providing a suite of general-purpose components to autonomously construct, refine, and reuse external capabilities by generating task-related model context protocols (MCPs) from open source, which contributes to scalable agentic reasoning. Notably, Alita achieves 75.15% pass@1 and 87.27% pass@3 accuracy, which is top-ranking among general-purpose agents, on the GAIA benchmark validation dataset, 74.00% and 52.00% pass@1, respectively, on Mathvista and PathVQA, outperforming many agent systems with far greater complexity. More details will be updated at https://github.com/CharlesQ9/Alita{https://github.com/CharlesQ9/Alita}.

  • 18 authors
·
May 26 4

AgentRxiv: Towards Collaborative Autonomous Research

Progress in scientific discovery is rarely the result of a single "Eureka" moment, but is rather the product of hundreds of scientists incrementally working together toward a common goal. While existing agent workflows are capable of producing research autonomously, they do so in isolation, without the ability to continuously improve upon prior research results. To address these challenges, we introduce AgentRxiv-a framework that lets LLM agent laboratories upload and retrieve reports from a shared preprint server in order to collaborate, share insights, and iteratively build on each other's research. We task agent laboratories to develop new reasoning and prompting techniques and find that agents with access to their prior research achieve higher performance improvements compared to agents operating in isolation (11.4% relative improvement over baseline on MATH-500). We find that the best performing strategy generalizes to benchmarks in other domains (improving on average by 3.3%). Multiple agent laboratories sharing research through AgentRxiv are able to work together towards a common goal, progressing more rapidly than isolated laboratories, achieving higher overall accuracy (13.7% relative improvement over baseline on MATH-500). These findings suggest that autonomous agents may play a role in designing future AI systems alongside humans. We hope that AgentRxiv allows agents to collaborate toward research goals and enables researchers to accelerate discovery.

  • 2 authors
·
Mar 23 2

Intern-S1: A Scientific Multimodal Foundation Model

In recent years, a plethora of open-source foundation models have emerged, achieving remarkable progress in some widely attended fields, with performance being quite close to that of closed-source models. However, in high-value but more challenging scientific professional fields, either the fields still rely on expert models, or the progress of general foundation models lags significantly compared to those in popular areas, far from sufficient for transforming scientific research and leaving substantial gap between open-source models and closed-source models in these scientific domains. To mitigate this gap and explore a step further toward Artificial General Intelligence (AGI), we introduce Intern-S1, a specialized generalist equipped with general understanding and reasoning capabilities with expertise to analyze multiple science modal data. Intern-S1 is a multimodal Mixture-of-Experts (MoE) model with 28 billion activated parameters and 241 billion total parameters, continually pre-trained on 5T tokens, including over 2.5T tokens from scientific domains. In the post-training stage, Intern-S1 undergoes offline and then online reinforcement learning (RL) in InternBootCamp, where we propose Mixture-of-Rewards (MoR) to synergize the RL training on more than 1000 tasks simultaneously. Through integrated innovations in algorithms, data, and training systems, Intern-S1 achieved top-tier performance in online RL training.On comprehensive evaluation benchmarks, Intern-S1 demonstrates competitive performance on general reasoning tasks among open-source models and significantly outperforms open-source models in scientific domains, surpassing closed-source state-of-the-art models in professional tasks, such as molecular synthesis planning, reaction condition prediction, predicting thermodynamic stabilities for crystals. Our models are available at https://huggingface.co/internlm/Intern-S1.

  • 175 authors
·
Aug 21 5

Evaluating Sakana's AI Scientist for Autonomous Research: Wishful Thinking or an Emerging Reality Towards 'Artificial Research Intelligence' (ARI)?

A major step toward Artificial General Intelligence (AGI) and Super Intelligence is AI's ability to autonomously conduct research - what we term Artificial Research Intelligence (ARI). If machines could generate hypotheses, conduct experiments, and write research papers without human intervention, it would transform science. Sakana recently introduced the 'AI Scientist', claiming to conduct research autonomously, i.e. they imply to have achieved what we term Artificial Research Intelligence (ARI). The AI Scientist gained much attention, but a thorough independent evaluation has yet to be conducted. Our evaluation of the AI Scientist reveals critical shortcomings. The system's literature reviews produced poor novelty assessments, often misclassifying established concepts (e.g., micro-batching for stochastic gradient descent) as novel. It also struggles with experiment execution: 42% of experiments failed due to coding errors, while others produced flawed or misleading results. Code modifications were minimal, averaging 8% more characters per iteration, suggesting limited adaptability. Generated manuscripts were poorly substantiated, with a median of five citations, most outdated (only five of 34 from 2020 or later). Structural errors were frequent, including missing figures, repeated sections, and placeholder text like 'Conclusions Here'. Some papers contained hallucinated numerical results. Despite these flaws, the AI Scientist represents a leap forward in research automation. It generates full research manuscripts with minimal human input, challenging expectations of AI-driven science. Many reviewers might struggle to distinguish its work from human researchers. While its quality resembles a rushed undergraduate paper, its speed and cost efficiency are unprecedented, producing a full paper for USD 6 to 15 with 3.5 hours of human involvement, far outpacing traditional researchers.

  • 3 authors
·
Feb 20

AgentGym: Evolving Large Language Model-based Agents across Diverse Environments

Building generalist agents that can handle diverse tasks and evolve themselves across different environments is a long-term goal in the AI community. Large language models (LLMs) are considered a promising foundation to build such agents due to their generalized capabilities. Current approaches either have LLM-based agents imitate expert-provided trajectories step-by-step, requiring human supervision, which is hard to scale and limits environmental exploration; or they let agents explore and learn in isolated environments, resulting in specialist agents with limited generalization. In this paper, we take the first step towards building generally-capable LLM-based agents with self-evolution ability. We identify a trinity of ingredients: 1) diverse environments for agent exploration and learning, 2) a trajectory set to equip agents with basic capabilities and prior knowledge, and 3) an effective and scalable evolution method. We propose AgentGym, a new framework featuring a variety of environments and tasks for broad, real-time, uni-format, and concurrent agent exploration. AgentGym also includes a database with expanded instructions, a benchmark suite, and high-quality trajectories across environments. Next, we propose a novel method, AgentEvol, to investigate the potential of agent self-evolution beyond previously seen data across tasks and environments. Experimental results show that the evolved agents can achieve results comparable to SOTA models. We release the AgentGym suite, including the platform, dataset, benchmark, checkpoints, and algorithm implementations. The AgentGym suite is available on https://github.com/WooooDyy/AgentGym.

  • 20 authors
·
Jun 6, 2024 1

OS-MAP: How Far Can Computer-Using Agents Go in Breadth and Depth?

Computer-using agents have shown strong potential to boost human productivity and enable new application forms across platforms. While recent advances have led to usable applications, existing benchmarks fail to account for the internal task heterogeneity and the corresponding agent capabilities, as well as their alignment with actual user demands-hindering both targeted capability development and the reliable transition of research progress into practical deployment. To bridge the gap, we present OS-MAP, a benchmark for daily computer-using automation that organizes its 416 realistic tasks across 15 applications along two key dimensions: a five-level taxonomy of automation and a generalization scope derived from a real-world user demand hierarchy. To enable fine-grained analysis of required capabilities and alignment with real-world scenarios, OS-MAP evaluates agents along two dimensions: automation level across a five-level taxonomy, and generalization scope across a demand hierarchy. This design captures varying levels of required agent autonomy and generalization, forming a performance-generalization evaluation matrix for structured and comprehensive assessment. Experiments show that even State-of-the-Art agents with VLM backbones struggle with higher-level tasks involving perception, reasoning, and coordination-highlighting the need for a deeper understanding of current strengths and limitations to drive the future progress in computer-using agents research and deployment. All code, environments, baselines, and data are publicly available at https://github.com/OS-Copilot/OS-Map.

  • 15 authors
·
Jul 25

AutoManual: Constructing Instruction Manuals by LLM Agents via Interactive Environmental Learning

Large Language Models (LLM) based agents have shown promise in autonomously completing tasks across various domains, e.g., robotics, games, and web navigation. However, these agents typically require elaborate design and expert prompts to solve tasks in specific domains, which limits their adaptability. We introduce AutoManual, a framework enabling LLM agents to autonomously build their understanding through interaction and adapt to new environments. AutoManual categorizes environmental knowledge into diverse rules and optimizes them in an online fashion by two agents: 1) The Planner codes actionable plans based on current rules for interacting with the environment. 2) The Builder updates the rules through a well-structured rule system that facilitates online rule management and essential detail retention. To mitigate hallucinations in managing rules, we introduce a *case-conditioned prompting* strategy for the Builder. Finally, the Formulator agent compiles these rules into a comprehensive manual. The self-generated manual can not only improve the adaptability but also guide the planning of smaller LLMs while being human-readable. Given only one simple demonstration, AutoManual significantly improves task success rates, achieving 97.4\% with GPT-4-turbo and 86.2\% with GPT-3.5-turbo on ALFWorld benchmark tasks. The code is available at https://github.com/minghchen/automanual.

  • 6 authors
·
May 25, 2024

OmniScientist: Toward a Co-evolving Ecosystem of Human and AI Scientists

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are commonly referred to as "AI Scientists." However, existing AI Scientists predominantly formulate scientific discovery as a standalone search or optimization problem, overlooking the fact that scientific research is inherently a social and collaborative endeavor. Real-world science relies on a complex scientific infrastructure composed of collaborative mechanisms, contribution attribution, peer review, and structured scientific knowledge networks. Due to the lack of modeling for these critical dimensions, current systems struggle to establish a genuine research ecosystem or interact deeply with the human scientific community. To bridge this gap, we introduce OmniScientist, a framework that explicitly encodes the underlying mechanisms of human research into the AI scientific workflow. OmniScientist not only achieves end-to-end automation across data foundation, literature review, research ideation, experiment automation, scientific writing, and peer review, but also provides comprehensive infrastructural support by simulating the human scientific system, comprising: (1) a structured knowledge system built upon citation networks and conceptual correlations; (2) a collaborative research protocol (OSP), which enables seamless multi-agent collaboration and human researcher participation; and (3) an open evaluation platform (ScienceArena) based on blind pairwise user voting and Elo rankings. This infrastructure empowers agents to not only comprehend and leverage human knowledge systems but also to collaborate and co-evolve, fostering a sustainable and scalable innovation ecosystem.

Innovator: Scientific Continued Pretraining with Fine-grained MoE Upcycling

A large language model (LLM) with knowledge in both scientific and general tasks is the foundation of science general intelligence. However, directly continued pretraining an LLM using science data usually leads to catastrophic forgetting, which indicates severe degradation in general ability. In this report, we present Innovator, which solves this problem by upcycling a pre-trained dense LLM into a fine-grained Mixtures-of-Experts model during continued pretraining, where different experts are expected to learn science knowledge in different disciplines, and a shared expert is utilized for general tasks. Innovator introduces a four-stage upcycle training paradigm: (1) Scientific Expert Induction on discipline-specific data, (2) Fine-grained Expert Splitting via FFN dimension decomposition, (3) Science-Aware Routing warmup, and (4) Generalist-Scientist Integration training on hybrid datasets. Such a paradigm enables knowledge in the general domain, and different scientific disciplines can be decoupled, avoiding the negative influence among knowledge in different domains. With 53.3B total parameters and 13.3B activated, Innovator extends Qwen2.5-7B using a shared general expert and 64 specialized scientific experts with 8 activated. Trained on 300B tokens with tri-level quality-controlled data, Innovator achieves 25% average improvement across 30 scientific tasks with a win rate as 70%, while retaining 99% performance in general tasks. Furthermore, Innovator-Reason, which is post-trained from Innovator for reasoning boosting, exhibits excellent reasoning performance in solving complex scientific problems with improvements over 30%.

  • 21 authors
·
Jul 24

Thinking Beyond Tokens: From Brain-Inspired Intelligence to Cognitive Foundations for Artificial General Intelligence and its Societal Impact

Can machines truly think, reason and act in domains like humans? This enduring question continues to shape the pursuit of Artificial General Intelligence (AGI). Despite the growing capabilities of models such as GPT-4.5, DeepSeek, Claude 3.5 Sonnet, Phi-4, and Grok 3, which exhibit multimodal fluency and partial reasoning, these systems remain fundamentally limited by their reliance on token-level prediction and lack of grounded agency. This paper offers a cross-disciplinary synthesis of AGI development, spanning artificial intelligence, cognitive neuroscience, psychology, generative models, and agent-based systems. We analyze the architectural and cognitive foundations of general intelligence, highlighting the role of modular reasoning, persistent memory, and multi-agent coordination. In particular, we emphasize the rise of Agentic RAG frameworks that combine retrieval, planning, and dynamic tool use to enable more adaptive behavior. We discuss generalization strategies, including information compression, test-time adaptation, and training-free methods, as critical pathways toward flexible, domain-agnostic intelligence. Vision-Language Models (VLMs) are reexamined not just as perception modules but as evolving interfaces for embodied understanding and collaborative task completion. We also argue that true intelligence arises not from scale alone but from the integration of memory and reasoning: an orchestration of modular, interactive, and self-improving components where compression enables adaptive behavior. Drawing on advances in neurosymbolic systems, reinforcement learning, and cognitive scaffolding, we explore how recent architectures begin to bridge the gap between statistical learning and goal-directed cognition. Finally, we identify key scientific, technical, and ethical challenges on the path to AGI.

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.

  • 8 authors
·
Apr 10 3

DeepScientist: Advancing Frontier-Pushing Scientific Findings Progressively

While previous AI Scientist systems can generate novel findings, they often lack the focus to produce scientifically valuable contributions that address pressing human-defined challenges. We introduce DeepScientist, a system designed to overcome this by conducting goal-oriented, fully autonomous scientific discovery over month-long timelines. It formalizes discovery as a Bayesian Optimization problem, operationalized through a hierarchical evaluation process consisting of "hypothesize, verify, and analyze". Leveraging a cumulative Findings Memory, this loop intelligently balances the exploration of novel hypotheses with exploitation, selectively promoting the most promising findings to higher-fidelity levels of validation. Consuming over 20,000 GPU hours, the system generated about 5,000 unique scientific ideas and experimentally validated approximately 1100 of them, ultimately surpassing human-designed state-of-the-art (SOTA) methods on three frontier AI tasks by 183.7\%, 1.9\%, and 7.9\%. This work provides the first large-scale evidence of an AI achieving discoveries that progressively surpass human SOTA on scientific tasks, producing valuable findings that genuinely push the frontier of scientific discovery. To facilitate further research into this process, we will open-source all experimental logs and system code at https://github.com/ResearAI/DeepScientist/.

From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to full scientific agency. Enabled by large language models (LLMs), multimodal systems, and integrated research platforms, agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement -- behaviors once regarded as uniquely human. This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics. We unify three previously fragmented perspectives -- process-oriented, autonomy-oriented, and mechanism-oriented -- through a comprehensive framework that connects foundational capabilities, core processes, and domain-specific realizations. Building on this framework, we (i) trace the evolution of AI for Science, (ii) identify five core capabilities underpinning scientific agency, (iii) model discovery as a dynamic four-stage workflow, (iv) review applications across the above domains, and (v) synthesize key challenges and future opportunities. This work establishes a domain-oriented synthesis of autonomous scientific discovery and positions Agentic Science as a structured paradigm for advancing AI-driven research.

Is Sora a World Simulator? A Comprehensive Survey on General World Models and Beyond

General world models represent a crucial pathway toward achieving Artificial General Intelligence (AGI), serving as the cornerstone for various applications ranging from virtual environments to decision-making systems. Recently, the emergence of the Sora model has attained significant attention due to its remarkable simulation capabilities, which exhibits an incipient comprehension of physical laws. In this survey, we embark on a comprehensive exploration of the latest advancements in world models. Our analysis navigates through the forefront of generative methodologies in video generation, where world models stand as pivotal constructs facilitating the synthesis of highly realistic visual content. Additionally, we scrutinize the burgeoning field of autonomous-driving world models, meticulously delineating their indispensable role in reshaping transportation and urban mobility. Furthermore, we delve into the intricacies inherent in world models deployed within autonomous agents, shedding light on their profound significance in enabling intelligent interactions within dynamic environmental contexts. At last, we examine challenges and limitations of world models, and discuss their potential future directions. We hope this survey can serve as a foundational reference for the research community and inspire continued innovation. This survey will be regularly updated at: https://github.com/GigaAI-research/General-World-Models-Survey.

  • 17 authors
·
May 6, 2024

The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aids to human scientists, e.g. for brainstorming ideas, writing code, or prediction tasks, they still conduct only a small part of the scientific process. This paper presents the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models to perform research independently and communicate their findings. We introduce The AI Scientist, which generates novel research ideas, writes code, executes experiments, visualizes results, describes its findings by writing a full scientific paper, and then runs a simulated review process for evaluation. In principle, this process can be repeated to iteratively develop ideas in an open-ended fashion, acting like the human scientific community. We demonstrate its versatility by applying it to three distinct subfields of machine learning: diffusion modeling, transformer-based language modeling, and learning dynamics. Each idea is implemented and developed into a full paper at a cost of less than $15 per paper. To evaluate the generated papers, we design and validate an automated reviewer, which we show achieves near-human performance in evaluating paper scores. The AI Scientist can produce papers that exceed the acceptance threshold at a top machine learning conference as judged by our automated reviewer. This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a world where endless affordable creativity and innovation can be unleashed on the world's most challenging problems. Our code is open-sourced at https://github.com/SakanaAI/AI-Scientist

  • 6 authors
·
Aug 12, 2024 10

Foundation Policies with Hilbert Representations

Unsupervised and self-supervised objectives, such as next token prediction, have enabled pre-training generalist models from large amounts of unlabeled data. In reinforcement learning (RL), however, finding a truly general and scalable unsupervised pre-training objective for generalist policies from offline data remains a major open question. While a number of methods have been proposed to enable generic self-supervised RL, based on principles such as goal-conditioned RL, behavioral cloning, and unsupervised skill learning, such methods remain limited in terms of either the diversity of the discovered behaviors, the need for high-quality demonstration data, or the lack of a clear prompting or adaptation mechanism for downstream tasks. In this work, we propose a novel unsupervised framework to pre-train generalist policies that capture diverse, optimal, long-horizon behaviors from unlabeled offline data such that they can be quickly adapted to any arbitrary new tasks in a zero-shot manner. Our key insight is to learn a structured representation that preserves the temporal structure of the underlying environment, and then to span this learned latent space with directional movements, which enables various zero-shot policy "prompting" schemes for downstream tasks. Through our experiments on simulated robotic locomotion and manipulation benchmarks, we show that our unsupervised policies can solve goal-conditioned and general RL tasks in a zero-shot fashion, even often outperforming prior methods designed specifically for each setting. Our code and videos are available at https://seohong.me/projects/hilp/

  • 3 authors
·
Feb 23, 2024

Self-Adapting Improvement Loops for Robotic Learning

Video generative models trained on expert demonstrations have been utilized as performant text-conditioned visual planners for solving robotic tasks. However, generalization to unseen tasks remains a challenge. Whereas improved generalization may be facilitated by leveraging learned prior knowledge from additional pre-collected offline data sources, such as web-scale video datasets, in the era of experience we aim to design agents that can continuously improve in an online manner from self-collected behaviors. In this work we thus propose the Self-Adapting Improvement Loop (SAIL), where an in-domain video model iteratively updates itself on self-produced trajectories, collected through adaptation with an internet-scale pretrained video model, and steadily improves its performance for a specified task of interest. We apply SAIL to a diverse suite of MetaWorld tasks, as well as two manipulation tasks on a real robot arm, and find that performance improvements continuously emerge over multiple iterations for novel tasks initially unseen during original in-domain video model training. Furthermore, we discover that SAIL is surprisingly robust regarding if and how the self-collected experience is filtered, and the quality of the initial in-domain demonstrations. Through adaptation with summarized internet-scale data, and learning through online experience, we thus demonstrate a way to iteratively bootstrap a high-performance video model for solving novel robotic tasks through self-improvement.

  • 5 authors
·
Jun 7 2

ReGenesis: LLMs can Grow into Reasoning Generalists via Self-Improvement

Post-training Large Language Models (LLMs) with explicit reasoning trajectories can enhance their reasoning abilities. However, acquiring such high-quality trajectory data typically demands meticulous supervision from humans or superior models, which can be either expensive or license-constrained. In this paper, we explore how far an LLM can improve its reasoning by self-synthesizing reasoning paths as training data without any additional supervision. Existing self-synthesizing methods, such as STaR, suffer from poor generalization to out-of-domain (OOD) reasoning tasks. We hypothesize it is due to that their self-synthesized reasoning paths are too task-specific, lacking general task-agnostic reasoning guidance. To address this, we propose Reasoning Generalist via Self-Improvement (ReGenesis), a method to self-synthesize reasoning paths as post-training data by progressing from abstract to concrete. More specifically, ReGenesis self-synthesizes reasoning paths by converting general reasoning guidelines into task-specific ones, generating reasoning structures, and subsequently transforming these structures into reasoning paths, without the need for human-designed task-specific examples used in existing methods. We show that ReGenesis achieves superior performance on all in-domain and OOD settings tested compared to existing methods. For six OOD tasks specifically, while previous methods exhibited an average performance decrease of approximately 4.6% after post training, ReGenesis delivers around 6.1% performance improvement. We also conduct in-depth analysis of our framework and show ReGenesis is effective across various LLMs and design choices.

  • 6 authors
·
Oct 2, 2024

Meta-DT: Offline Meta-RL as Conditional Sequence Modeling with World Model Disentanglement

A longstanding goal of artificial general intelligence is highly capable generalists that can learn from diverse experiences and generalize to unseen tasks. The language and vision communities have seen remarkable progress toward this trend by scaling up transformer-based models trained on massive datasets, while reinforcement learning (RL) agents still suffer from poor generalization capacity under such paradigms. To tackle this challenge, we propose Meta Decision Transformer (Meta-DT), which leverages the sequential modeling ability of the transformer architecture and robust task representation learning via world model disentanglement to achieve efficient generalization in offline meta-RL. We pretrain a context-aware world model to learn a compact task representation, and inject it as a contextual condition to the causal transformer to guide task-oriented sequence generation. Then, we subtly utilize history trajectories generated by the meta-policy as a self-guided prompt to exploit the architectural inductive bias. We select the trajectory segment that yields the largest prediction error on the pretrained world model to construct the prompt, aiming to encode task-specific information complementary to the world model maximally. Notably, the proposed framework eliminates the requirement of any expert demonstration or domain knowledge at test time. Experimental results on MuJoCo and Meta-World benchmarks across various dataset types show that Meta-DT exhibits superior few and zero-shot generalization capacity compared to strong baselines while being more practical with fewer prerequisites. Our code is available at https://github.com/NJU-RL/Meta-DT.

  • 6 authors
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Oct 15, 2024

Shortcut Learning in Generalist Robot Policies: The Role of Dataset Diversity and Fragmentation

Generalist robot policies trained on large-scale datasets such as Open X-Embodiment (OXE) demonstrate strong performance across a wide range of tasks. However, they often struggle to generalize beyond the distribution of their training data. In this paper, we investigate the underlying cause of this limited generalization capability. We identify shortcut learning -- the reliance on task-irrelevant features -- as a key impediment to generalization. Through comprehensive theoretical and empirical analysis, we uncover two primary contributors to shortcut learning: (1) limited diversity within individual sub-datasets, and (2) significant distributional disparities across sub-datasets, leading to dataset fragmentation. These issues arise from the inherent structure of large-scale datasets like OXE, which are typically composed of multiple sub-datasets collected independently across varied environments and embodiments. Our findings provide critical insights into dataset collection strategies that can reduce shortcut learning and enhance the generalization ability of generalist robot policies. Moreover, in scenarios where acquiring new large-scale data is impractical, we demonstrate that carefully selected robotic data augmentation strategies can effectively reduce shortcut learning in existing offline datasets, thereby improving generalization capabilities of generalist robot policies, e.g., pi_0, in both simulation and real-world environments. More information at https://lucky-light-sun.github.io/proj/shortcut-learning-in-grps/.

  • 6 authors
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Aug 8 2

Ctrl-World: A Controllable Generative World Model for Robot Manipulation

Generalist robot policies can now perform a wide range of manipulation skills, but evaluating and improving their ability with unfamiliar objects and instructions remains a significant challenge. Rigorous evaluation requires a large number of real-world rollouts, while systematic improvement demands additional corrective data with expert labels. Both of these processes are slow, costly, and difficult to scale. World models offer a promising, scalable alternative by enabling policies to rollout within imagination space. However, a key challenge is building a controllable world model that can handle multi-step interactions with generalist robot policies. This requires a world model compatible with modern generalist policies by supporting multi-view prediction, fine-grained action control, and consistent long-horizon interactions, which is not achieved by previous works. In this paper, we make a step forward by introducing a controllable multi-view world model that can be used to evaluate and improve the instruction-following ability of generalist robot policies. Our model maintains long-horizon consistency with a pose-conditioned memory retrieval mechanism and achieves precise action control through frame-level action conditioning. Trained on the DROID dataset (95k trajectories, 564 scenes), our model generates spatially and temporally consistent trajectories under novel scenarios and new camera placements for over 20 seconds. We show that our method can accurately rank policy performance without real-world robot rollouts. Moreover, by synthesizing successful trajectories in imagination and using them for supervised fine-tuning, our approach can improve policy success by 44.7\%.

  • 4 authors
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Oct 11

Darwin Godel Machine: Open-Ended Evolution of Self-Improving Agents

Today's AI systems have human-designed, fixed architectures and cannot autonomously and continuously improve themselves. The advance of AI could itself be automated. If done safely, that would accelerate AI development and allow us to reap its benefits much sooner. Meta-learning can automate the discovery of novel algorithms, but is limited by first-order improvements and the human design of a suitable search space. The G\"odel machine proposed a theoretical alternative: a self-improving AI that repeatedly modifies itself in a provably beneficial manner. Unfortunately, proving that most changes are net beneficial is impossible in practice. We introduce the Darwin G\"odel Machine (DGM), a self-improving system that iteratively modifies its own code (thereby also improving its ability to modify its own codebase) and empirically validates each change using coding benchmarks. Inspired by Darwinian evolution and open-endedness research, the DGM maintains an archive of generated coding agents. It grows the archive by sampling an agent from it and using a foundation model to create a new, interesting, version of the sampled agent. This open-ended exploration forms a growing tree of diverse, high-quality agents and allows the parallel exploration of many different paths through the search space. Empirically, the DGM automatically improves its coding capabilities (e.g., better code editing tools, long-context window management, peer-review mechanisms), increasing performance on SWE-bench from 20.0% to 50.0%, and on Polyglot from 14.2% to 30.7%. Furthermore, the DGM significantly outperforms baselines without self-improvement or open-ended exploration. All experiments were done with safety precautions (e.g., sandboxing, human oversight). The DGM is a significant step toward self-improving AI, capable of gathering its own stepping stones along paths that unfold into endless innovation.

  • 5 authors
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May 28 3

RoboArena: Distributed Real-World Evaluation of Generalist Robot Policies

Comprehensive, unbiased, and comparable evaluation of modern generalist policies is uniquely challenging: existing approaches for robot benchmarking typically rely on heavy standardization, either by specifying fixed evaluation tasks and environments, or by hosting centralized ''robot challenges'', and do not readily scale to evaluating generalist policies across a broad range of tasks and environments. In this work, we propose RoboArena, a new approach for scalable evaluation of generalist robot policies in the real world. Instead of standardizing evaluations around fixed tasks, environments, or locations, we propose to crowd-source evaluations across a distributed network of evaluators. Importantly, evaluators can freely choose the tasks and environments they evaluate on, enabling easy scaling of diversity, but they are required to perform double-blind evaluations over pairs of policies. Then, by aggregating preference feedback from pairwise comparisons across diverse tasks and environments, we can derive a ranking of policies. We instantiate our approach across a network of evaluators at seven academic institutions using the DROID robot platform. Through more than 600 pairwise real-robot evaluation episodes across seven generalist policies, we demonstrate that our crowd-sourced approach can more accurately rank the performance of existing generalist policies than conventional, centralized evaluation approaches, while being more scalable, resilient, and trustworthy. We open our evaluation network to the community and hope that it can enable more accessible comparisons of generalist robot policies.

  • 30 authors
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Jun 22

Build Your Personalized Research Group: A Multiagent Framework for Continual and Interactive Science Automation

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that cannot adapt to intermediate findings, and inadequate context management that hinders long-horizon research. We present freephdlabor, an open-source multiagent framework featuring fully dynamic workflows determined by real-time agent reasoning and a \textit{modular architecture} enabling seamless customization -- users can modify, add, or remove agents to address domain-specific requirements. The framework provides comprehensive infrastructure including automatic context compaction, workspace-based communication to prevent information degradation, memory persistence across sessions, and non-blocking human intervention mechanisms. These features collectively transform automated research from isolated, single-run attempts into continual research programs that build systematically on prior explorations and incorporate human feedback. By providing both the architectural principles and practical implementation for building customizable co-scientist systems, this work aims to facilitate broader adoption of automated research across scientific domains, enabling practitioners to deploy interactive multiagent systems that autonomously conduct end-to-end research -- from ideation through experimentation to publication-ready manuscripts.

  • 7 authors
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Oct 17 5

AIGS: Generating Science from AI-Powered Automated Falsification

Rapid development of artificial intelligence has drastically accelerated the development of scientific discovery. Trained with large-scale observation data, deep neural networks extract the underlying patterns in an end-to-end manner and assist human researchers with highly-precised predictions in unseen scenarios. The recent rise of Large Language Models (LLMs) and the empowered autonomous agents enable scientists to gain help through interaction in different stages of their research, including but not limited to literature review, research ideation, idea implementation, and academic writing. However, AI researchers instantiated by foundation model empowered agents with full-process autonomy are still in their infancy. In this paper, we study AI-Generated Science (AIGS), where agents independently and autonomously complete the entire research process and discover scientific laws. By revisiting the definition of scientific research, we argue that falsification is the essence of both human research process and the design of an AIGS system. Through the lens of falsification, prior systems attempting towards AI-Generated Science either lack the part in their design, or rely heavily on existing verification engines that narrow the use in specialized domains. In this work, we propose Baby-AIGS as a baby-step demonstration of a full-process AIGS system, which is a multi-agent system with agents in roles representing key research process. By introducing FalsificationAgent, which identify and then verify possible scientific discoveries, we empower the system with explicit falsification. Experiments on three tasks preliminarily show that Baby-AIGS could produce meaningful scientific discoveries, though not on par with experienced human researchers. Finally, we discuss on the limitations of current Baby-AIGS, actionable insights, and related ethical issues in detail.

  • 8 authors
·
Nov 17, 2024

A Survey on Large Language Model based Autonomous Agents

Autonomous agents have long been a prominent research focus in both academic and industry communities. Previous research in this field often focuses on training agents with limited knowledge within isolated environments, which diverges significantly from human learning processes, and thus makes the agents hard to achieve human-like decisions. Recently, through the acquisition of vast amounts of web knowledge, large language models (LLMs) have demonstrated remarkable potential in achieving human-level intelligence. This has sparked an upsurge in studies investigating LLM-based autonomous agents. In this paper, we present a comprehensive survey of these studies, delivering a systematic review of the field of LLM-based autonomous agents from a holistic perspective. More specifically, we first discuss the construction of LLM-based autonomous agents, for which we propose a unified framework that encompasses a majority of the previous work. Then, we present a comprehensive overview of the diverse applications of LLM-based autonomous agents in the fields of social science, natural science, and engineering. Finally, we delve into the evaluation strategies commonly used for LLM-based autonomous agents. Based on the previous studies, we also present several challenges and future directions in this field. To keep track of this field and continuously update our survey, we maintain a repository of relevant references at https://github.com/Paitesanshi/LLM-Agent-Survey.

  • 13 authors
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Aug 22, 2023 2

Artificial General Intelligence (AGI)-Native Wireless Systems: A Journey Beyond 6G

Building future wireless systems that support services like digital twins (DTs) is challenging to achieve through advances to conventional technologies like meta-surfaces. While artificial intelligence (AI)-native networks promise to overcome some limitations of wireless technologies, developments still rely on AI tools like neural networks. Such tools struggle to cope with the non-trivial challenges of the network environment and the growing demands of emerging use cases. In this paper, we revisit the concept of AI-native wireless systems, equipping them with the common sense necessary to transform them into artificial general intelligence (AGI)-native systems. These systems acquire common sense by exploiting different cognitive abilities such as perception, analogy, and reasoning, that enable them to generalize and deal with unforeseen scenarios. Towards developing the components of such a system, we start by showing how the perception module can be built through abstracting real-world elements into generalizable representations. These representations are then used to create a world model, founded on principles of causality and hyper-dimensional (HD) computing, that aligns with intuitive physics and enables analogical reasoning, that define common sense. Then, we explain how methods such as integrated information theory play a role in the proposed intent-driven and objective-driven planning methods that maneuver the AGI-native network to take actions. Next, we discuss how an AGI-native network can enable use cases related to human and autonomous agents: a) analogical reasoning for next-generation DTs, b) synchronized and resilient experiences for cognitive avatars, and c) brain-level metaverse experiences like holographic teleportation. Finally, we conclude with a set of recommendations to build AGI-native systems. Ultimately, we envision this paper as a roadmap for the beyond 6G era.

  • 7 authors
·
Apr 29, 2024

Towards Generalist Biomedical AI

Medicine is inherently multimodal, with rich data modalities spanning text, imaging, genomics, and more. Generalist biomedical artificial intelligence (AI) systems that flexibly encode, integrate, and interpret this data at scale can potentially enable impactful applications ranging from scientific discovery to care delivery. To enable the development of these models, we first curate MultiMedBench, a new multimodal biomedical benchmark. MultiMedBench encompasses 14 diverse tasks such as medical question answering, mammography and dermatology image interpretation, radiology report generation and summarization, and genomic variant calling. We then introduce Med-PaLM Multimodal (Med-PaLM M), our proof of concept for a generalist biomedical AI system. Med-PaLM M is a large multimodal generative model that flexibly encodes and interprets biomedical data including clinical language, imaging, and genomics with the same set of model weights. Med-PaLM M reaches performance competitive with or exceeding the state of the art on all MultiMedBench tasks, often surpassing specialist models by a wide margin. We also report examples of zero-shot generalization to novel medical concepts and tasks, positive transfer learning across tasks, and emergent zero-shot medical reasoning. To further probe the capabilities and limitations of Med-PaLM M, we conduct a radiologist evaluation of model-generated (and human) chest X-ray reports and observe encouraging performance across model scales. In a side-by-side ranking on 246 retrospective chest X-rays, clinicians express a pairwise preference for Med-PaLM M reports over those produced by radiologists in up to 40.50% of cases, suggesting potential clinical utility. While considerable work is needed to validate these models in real-world use cases, our results represent a milestone towards the development of generalist biomedical AI systems.

  • 32 authors
·
Jul 26, 2023

LIMI: Less is More for Agency

We define Agency as the emergent capacity of AI systems to function as autonomous agents actively discovering problems, formulating hypotheses, and executing solutions through self-directed engagement with environments and tools. This fundamental capability marks the dawn of the Age of AI Agency, driven by a critical industry shift: the urgent need for AI systems that don't just think, but work. While current AI excels at reasoning and generating responses, industries demand autonomous agents that can execute tasks, operate tools, and drive real-world outcomes. As agentic intelligence becomes the defining characteristic separating cognitive systems from productive workers, efficiently cultivating machine autonomy becomes paramount. Current approaches assume that more data yields better agency, following traditional scaling laws from language modeling. We fundamentally challenge this paradigm. LIMI (Less Is More for Intelligent Agency) demonstrates that agency follows radically different development principles. Through strategic focus on collaborative software development and scientific research workflows, we show that sophisticated agentic intelligence can emerge from minimal but strategically curated demonstrations of autonomous behavior. Using only 78 carefully designed training samples, LIMI achieves 73.5% on comprehensive agency benchmarks, dramatically outperforming state-of-the-art models: Kimi-K2-Instruct (24.1%), DeepSeek-V3.1 (11.9%), Qwen3-235B-A22B-Instruct (27.5%), and GLM-4.5 (45.1%). Most strikingly, LIMI demonstrates 53.7% improvement over models trained on 10,000 samples-achieving superior agentic intelligence with 128 times fewer samples. Our findings establish the Agency Efficiency Principle: machine autonomy emerges not from data abundance but from strategic curation of high-quality agentic demonstrations.

  • 21 authors
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Sep 22 5

Agent S2: A Compositional Generalist-Specialist Framework for Computer Use Agents

Computer use agents automate digital tasks by directly interacting with graphical user interfaces (GUIs) on computers and mobile devices, offering significant potential to enhance human productivity by completing an open-ended space of user queries. However, current agents face significant challenges: imprecise grounding of GUI elements, difficulties with long-horizon task planning, and performance bottlenecks from relying on single generalist models for diverse cognitive tasks. To this end, we introduce Agent S2, a novel compositional framework that delegates cognitive responsibilities across various generalist and specialist models. We propose a novel Mixture-of-Grounding technique to achieve precise GUI localization and introduce Proactive Hierarchical Planning, dynamically refining action plans at multiple temporal scales in response to evolving observations. Evaluations demonstrate that Agent S2 establishes new state-of-the-art (SOTA) performance on three prominent computer use benchmarks. Specifically, Agent S2 achieves 18.9% and 32.7% relative improvements over leading baseline agents such as Claude Computer Use and UI-TARS on the OSWorld 15-step and 50-step evaluation. Moreover, Agent S2 generalizes effectively to other operating systems and applications, surpassing previous best methods by 52.8% on WindowsAgentArena and by 16.52% on AndroidWorld relatively. Code available at https://github.com/simular-ai/Agent-S.

simular-ai Simular
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Apr 1 2

Towards Generalist Robots: A Promising Paradigm via Generative Simulation

This document serves as a position paper that outlines the authors' vision for a potential pathway towards generalist robots. The purpose of this document is to share the excitement of the authors with the community and highlight a promising research direction in robotics and AI. The authors believe the proposed paradigm is a feasible path towards accomplishing the long-standing goal of robotics research: deploying robots, or embodied AI agents more broadly, in various non-factory real-world settings to perform diverse tasks. This document presents a specific idea for mining knowledge in the latest large-scale foundation models for robotics research. Instead of directly using or adapting these models to produce low-level policies and actions, it advocates for a fully automated generative pipeline (termed as generative simulation), which uses these models to generate diversified tasks, scenes and training supervisions at scale, thereby scaling up low-level skill learning and ultimately leading to a foundation model for robotics that empowers generalist robots. The authors are actively pursuing this direction, but in the meantime, they recognize that the ambitious goal of building generalist robots with large-scale policy training demands significant resources such as computing power and hardware, and research groups in academia alone may face severe resource constraints in implementing the entire vision. Therefore, the authors believe sharing their thoughts at this early stage could foster discussions, attract interest towards the proposed pathway and related topics from industry groups, and potentially spur significant technical advancements in the field.

  • 6 authors
·
May 16, 2023

The Evolving Role of Large Language Models in Scientific Innovation: Evaluator, Collaborator, and Scientist

Scientific innovation is undergoing a paradigm shift driven by the rapid advancement of Large Language Models (LLMs). As science faces mounting challenges including information overload, disciplinary silos, and diminishing returns on conventional research methods, LLMs are emerging as powerful agents capable not only of enhancing scientific workflows but also of participating in and potentially leading the innovation process. Existing surveys mainly focus on different perspectives, phrases, and tasks in scientific research and discovery, while they have limitations in understanding the transformative potential and role differentiation of LLM. This survey proposes a comprehensive framework to categorize the evolving roles of LLMs in scientific innovation across three hierarchical levels: Evaluator, Collaborator, and Scientist. We distinguish between LLMs' contributions to structured scientific research processes and open-ended scientific discovery, thereby offering a unified taxonomy that clarifies capability boundaries, evaluation criteria, and human-AI interaction patterns at each level. Through an extensive analysis of current methodologies, benchmarks, systems, and evaluation metrics, this survey delivers an in-depth and systematic synthesis on LLM-driven scientific innovation. We present LLMs not only as tools for automating existing processes, but also as catalysts capable of reshaping the epistemological foundations of science itself. This survey offers conceptual clarity, practical guidance, and theoretical foundations for future research, while also highlighting open challenges and ethical considerations in the pursuit of increasingly autonomous AI-driven science. Resources related to this survey can be accessed on GitHub at: https://github.com/haoxuan-unt2024/llm4innovation.

  • 7 authors
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Jul 15