Daily Papers

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.

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.

The powerful reasoning capabilities of Large Language Models (LLMs) in mathematics and coding, combined with their ability to automate complex tasks through agentic frameworks, present unprecedented opportunities for accelerating scientific innovation. In this paper, we introduce AI-Researcher, a fully autonomous research system that transforms how AI-driven scientific discovery is conducted and evaluated. Our framework seamlessly orchestrates the complete research pipeline--from literature review and hypothesis generation to algorithm implementation and publication-ready manuscript preparation--with minimal human intervention. To rigorously assess autonomous research capabilities, we develop Scientist-Bench, a comprehensive benchmark comprising state-of-the-art papers across diverse AI research domains, featuring both guided innovation and open-ended exploration tasks. Through extensive experiments, we demonstrate that AI-Researcher achieves remarkable implementation success rates and produces research papers that approach human-level quality. This work establishes new foundations for autonomous scientific innovation that can complement human researchers by systematically exploring solution spaces beyond cognitive limitations.

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.

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.

The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature review, generate hypotheses, conduct experiments, and analyze results. This survey provides a comprehensive overview of Agentic AI for scientific discovery, categorizing existing systems and tools, and highlighting recent progress across fields such as chemistry, biology, and materials science. We discuss key evaluation metrics, implementation frameworks, and commonly used datasets to offer a detailed understanding of the current state of the field. Finally, we address critical challenges, such as literature review automation, system reliability, and ethical concerns, while outlining future research directions that emphasize human-AI collaboration and enhanced system calibration.

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.

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning, simulation, and experimentation, we still lack integrated AI systems capable of performing autonomous long-term scientific research and discovery. This paper examines the current state of AI for scientific discovery, highlighting recent progress in large language models and other AI techniques applied to scientific tasks. We then outline key challenges and promising research directions toward developing more comprehensive AI systems for scientific discovery, including the need for science-focused AI agents, improved benchmarks and evaluation metrics, multimodal scientific representations, and unified frameworks combining reasoning, theorem proving, and data-driven modeling. Addressing these challenges could lead to transformative AI tools to accelerate progress across disciplines towards scientific discovery.

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is often unstructured, multimodal, and difficult to incorporate into current AI systems. This paper introduces the k-agents framework, designed to support experimentalists in organizing laboratory knowledge and automating experiments with agents. Our framework employs large language model-based agents to encapsulate laboratory knowledge including available laboratory operations and methods for analyzing experiment results. To automate experiments, we introduce execution agents that break multi-step experimental procedures into state machines, interact with other agents to execute each step and analyze the experiment results. The analyzed results are then utilized to drive state transitions, enabling closed-loop feedback control. To demonstrate its capabilities, we applied the agents to calibrate and operate a superconducting quantum processor, where they autonomously planned and executed experiments for hours, successfully producing and characterizing entangled quantum states at the level achieved by human scientists. Our knowledge-based agent system opens up new possibilities for managing laboratory knowledge and accelerating scientific discovery.

Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. However, the landscape remains fragmented and lacks a unified taxonomy or comprehensive survey. Therefore, we present a side-by-side comparison of benchmarks developed between 2019 and 2025 that evaluate these models and agents across multiple domains. In addition, we propose a taxonomy of approximately 60 benchmarks that cover general and academic knowledge reasoning, mathematical problem-solving, code generation and software engineering, factual grounding and retrieval, domain-specific evaluations, multimodal and embodied tasks, task orchestration, and interactive assessments. Furthermore, we review AI-agent frameworks introduced between 2023 and 2025 that integrate large language models with modular toolkits to enable autonomous decision-making and multi-step reasoning. Moreover, we present real-world applications of autonomous AI agents in materials science, biomedical research, academic ideation, software engineering, synthetic data generation, chemical reasoning, mathematical problem-solving, geographic information systems, multimedia, healthcare, and finance. We then survey key agent-to-agent collaboration protocols, namely the Agent Communication Protocol (ACP), the Model Context Protocol (MCP), and the Agent-to-Agent Protocol (A2A). Finally, we discuss recommendations for future research, focusing on advanced reasoning strategies, failure modes in multi-agent LLM systems, automated scientific discovery, dynamic tool integration via reinforcement learning, integrated search capabilities, and security vulnerabilities in agent protocols.

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI collaboration. This survey systematically charts this burgeoning field, placing a central focus on the changing roles and escalating capabilities of LLMs in science. Through the lens of the scientific method, we introduce a foundational three-level taxonomy-Tool, Analyst, and Scientist-to delineate their escalating autonomy and evolving responsibilities within the research lifecycle. We further identify pivotal challenges and future research trajectories such as robotic automation, self-improvement, and ethical governance. Overall, this survey provides a conceptual architecture and strategic foresight to navigate and shape the future of AI-driven scientific discovery, fostering both rapid innovation and responsible advancement. Github Repository: https://github.com/HKUST-KnowComp/Awesome-LLM-Scientific-Discovery.

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.

This study critically distinguishes between AI Agents and Agentic AI, offering a structured conceptual taxonomy, application mapping, and challenge analysis to clarify their divergent design philosophies and capabilities. We begin by outlining the search strategy and foundational definitions, characterizing AI Agents as modular systems driven by Large Language Models (LLMs) and Large Image Models (LIMs) for narrow, task-specific automation. Generative AI is positioned as a precursor, with AI Agents advancing through tool integration, prompt engineering, and reasoning enhancements. In contrast, Agentic AI systems represent a paradigmatic shift marked by multi-agent collaboration, dynamic task decomposition, persistent memory, and orchestrated autonomy. Through a sequential evaluation of architectural evolution, operational mechanisms, interaction styles, and autonomy levels, we present a comparative analysis across both paradigms. Application domains such as customer support, scheduling, and data summarization are contrasted with Agentic AI deployments in research automation, robotic coordination, and medical decision support. We further examine unique challenges in each paradigm including hallucination, brittleness, emergent behavior, and coordination failure and propose targeted solutions such as ReAct loops, RAG, orchestration layers, and causal modeling. This work aims to provide a definitive roadmap for developing robust, scalable, and explainable AI agent and Agentic AI-driven systems. >AI Agents, Agent-driven, Vision-Language-Models, Agentic AI Decision Support System, Agentic-AI Applications

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental coding. Motivated by these advancements, numerous studies have explored the application of AI in the innovation process, particularly in the context of scientific research. These AI technologies primarily aim to develop systems that can autonomously conduct research processes across a wide range of scientific disciplines. Despite these significant strides, a comprehensive survey on AI for Research (AI4Research) remains absent, which hampers our understanding and impedes further development in this field. To address this gap, we present a comprehensive survey and offer a unified perspective on AI4Research. Specifically, the main contributions of our work are as follows: (1) Systematic taxonomy: We first introduce a systematic taxonomy to classify five mainstream tasks in AI4Research. (2) New frontiers: Then, we identify key research gaps and highlight promising future directions, focusing on the rigor and scalability of automated experiments, as well as the societal impact. (3) Abundant applications and resources: Finally, we compile a wealth of resources, including relevant multidisciplinary applications, data corpora, and tools. We hope our work will provide the research community with quick access to these resources and stimulate innovative breakthroughs in AI4Research.

This survey examines the rapidly evolving field of Deep Research systems -- AI-powered applications that automate complex research workflows through the integration of large language models, advanced information retrieval, and autonomous reasoning capabilities. We analyze more than 80 commercial and non-commercial implementations that have emerged since 2023, including OpenAI/Deep Research, Gemini/Deep Research, Perplexity/Deep Research, and numerous open-source alternatives. Through comprehensive examination, we propose a novel hierarchical taxonomy that categorizes systems according to four fundamental technical dimensions: foundation models and reasoning engines, tool utilization and environmental interaction, task planning and execution control, and knowledge synthesis and output generation. We explore the architectural patterns, implementation approaches, and domain-specific adaptations that characterize these systems across academic, scientific, business, and educational applications. Our analysis reveals both the significant capabilities of current implementations and the technical and ethical challenges they present regarding information accuracy, privacy, intellectual property, and accessibility. The survey concludes by identifying promising research directions in advanced reasoning architectures, multimodal integration, domain specialization, human-AI collaboration, and ecosystem standardization that will likely shape the future evolution of this transformative technology. By providing a comprehensive framework for understanding Deep Research systems, this survey contributes to both the theoretical understanding of AI-augmented knowledge work and the practical development of more capable, responsible, and accessible research technologies. The paper resources can be viewed at https://github.com/scienceaix/deepresearch.

Data science aims to extract insights from data to support decision-making processes. Recently, Large Language Models (LLMs) are increasingly used as assistants for data science, by suggesting ideas, techniques and small code snippets, or for the interpretation of results and reporting. Proper automation of some data-science activities is now promised by the rise of LLM agents, i.e., AI systems powered by an LLM equipped with additional affordances--such as code execution and knowledge bases--that can perform self-directed actions and interact with digital environments. In this paper, we survey the evaluation of LLM assistants and agents for data science. We find (1) a dominant focus on a small subset of goal-oriented activities, largely ignoring data management and exploratory activities; (2) a concentration on pure assistance or fully autonomous agents, without considering intermediate levels of human-AI collaboration; and (3) an emphasis on human substitution, therefore neglecting the possibility of higher levels of automation thanks to task transformation.

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

A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast scientific data. In this work, we present SciAgents, an approach that leverages three core concepts: (1) the use of large-scale ontological knowledge graphs to organize and interconnect diverse scientific concepts, (2) a suite of large language models (LLMs) and data retrieval tools, and (3) multi-agent systems with in-situ learning capabilities. Applied to biologically inspired materials, SciAgents reveals hidden interdisciplinary relationships that were previously considered unrelated, achieving a scale, precision, and exploratory power that surpasses traditional human-driven research methods. The framework autonomously generates and refines research hypotheses, elucidating underlying mechanisms, design principles, and unexpected material properties. By integrating these capabilities in a modular fashion, the intelligent system yields material discoveries, critique and improve existing hypotheses, retrieve up-to-date data about existing research, and highlights their strengths and limitations. Our case studies demonstrate scalable capabilities to combine generative AI, ontological representations, and multi-agent modeling, harnessing a `swarm of intelligence' similar to biological systems. This provides new avenues for materials discovery and accelerates the development of advanced materials by unlocking Nature's design principles.

The rapid advancement of scientific progress requires innovative tools that can accelerate discovery. While recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation and experimental design, they fall short in replicating the collaborative nature of real-world scientific practices, where diverse teams of experts work together to tackle complex problems. To address the limitation, we propose an LLM-based multi-agent system, i.e., Virtual Scientists (VirSci), designed to mimic the teamwork inherent in scientific research. VirSci organizes a team of agents to collaboratively generate, evaluate, and refine research ideas. Through comprehensive experiments, we demonstrate that this multi-agent approach outperforms the state-of-the-art method in producing novel and impactful scientific ideas, showing potential in aligning with key insights in the Science of Science field. Our findings suggest that integrating collaborative agents can lead to more innovative scientific outputs, offering a robust system for autonomous scientific discovery.

We present the AI Cosmologist, an agentic system designed to automate cosmological/astronomical data analysis and machine learning research workflows. This implements a complete pipeline from idea generation to experimental evaluation and research dissemination, mimicking the scientific process typically performed by human researchers. The system employs specialized agents for planning, coding, execution, analysis, and synthesis that work together to develop novel approaches. Unlike traditional auto machine-learning systems, the AI Cosmologist generates diverse implementation strategies, writes complete code, handles execution errors, analyzes results, and synthesizes new approaches based on experimental outcomes. We demonstrate the AI Cosmologist capabilities across several machine learning tasks, showing how it can successfully explore solution spaces, iterate based on experimental results, and combine successful elements from different approaches. Our results indicate that agentic systems can automate portions of the research process, potentially accelerating scientific discovery. The code and experimental data used in this paper are available on GitHub at https://github.com/adammoss/aicosmologist. Example papers included in the appendix demonstrate the system's capability to autonomously produce complete scientific publications, starting from only the dataset and task description

Machine learning, the foundation of modern artificial intelligence, has driven innovations that have fundamentally transformed the world. Yet, behind advancements lies a complex and often tedious process requiring labor and compute intensive iteration and experimentation. Engineers and scientists developing machine learning models spend much of their time on trial-and-error tasks instead of conceptualizing innovative solutions or research hypotheses. To address this challenge, we introduce AI-Driven Exploration (AIDE), a machine learning engineering agent powered by large language models (LLMs). AIDE frames machine learning engineering as a code optimization problem, and formulates trial-and-error as a tree search in the space of potential solutions. By strategically reusing and refining promising solutions, AIDE effectively trades computational resources for enhanced performance, achieving state-of-the-art results on multiple machine learning engineering benchmarks, including our Kaggle evaluations, OpenAI MLE-Bench and METRs RE-Bench.

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains limited. Existing frameworks depend on rigid, pre-defined workflows and inflexible coding strategies; consequently, they excel only on relatively simple, classical problems and fail to capture the empirical expertise that human practitioners bring to complex, innovative tasks. In this work, we introduce AutoMind, an adaptive, knowledgeable LLM-agent framework that overcomes these deficiencies through three key advances: (1) a curated expert knowledge base that grounds the agent in domain expert knowledge, (2) an agentic knowledgeable tree search algorithm that strategically explores possible solutions, and (3) a self-adaptive coding strategy that dynamically tailors code generation to task complexity. Evaluations on two automated data science benchmarks demonstrate that AutoMind delivers superior performance versus state-of-the-art baselines. Additional analyses confirm favorable effectiveness, efficiency, and qualitative solution quality, highlighting AutoMind as an efficient and robust step toward fully automated data science.

We present an approach of using AI to model and simulate biology and life. Why is it important? Because at the core of medicine, pharmacy, public health, longevity, agriculture and food security, environmental protection, and clean energy, it is biology at work. Biology in the physical world is too complex to manipulate and always expensive and risky to tamper with. In this perspective, we layout an engineering viable approach to address this challenge by constructing an AI-Driven Digital Organism (AIDO), a system of integrated multiscale foundation models, in a modular, connectable, and holistic fashion to reflect biological scales, connectedness, and complexities. An AIDO opens up a safe, affordable and high-throughput alternative platform for predicting, simulating and programming biology at all levels from molecules to cells to individuals. We envision that an AIDO is poised to trigger a new wave of better-guided wet-lab experimentation and better-informed first-principle reasoning, which can eventually help us better decode and improve life.

Data-driven methods such as reinforcement and imitation learning have achieved remarkable success in robot autonomy. However, their data-centric nature still hinders them from generalizing well to ever-changing environments. Moreover, collecting large datasets for robotic tasks is often impractical and expensive. To overcome these challenges, we introduce a new self-supervised neural-symbolic (NeSy) computational framework, imperative learning (IL), for robot autonomy, leveraging the generalization abilities of symbolic reasoning. The framework of IL consists of three primary components: a neural module, a reasoning engine, and a memory system. We formulate IL as a special bilevel optimization (BLO), which enables reciprocal learning over the three modules. This overcomes the label-intensive obstacles associated with data-driven approaches and takes advantage of symbolic reasoning concerning logical reasoning, physical principles, geometric analysis, etc. We discuss several optimization techniques for IL and verify their effectiveness in five distinct robot autonomy tasks including path planning, rule induction, optimal control, visual odometry, and multi-robot routing. Through various experiments, we show that IL can significantly enhance robot autonomy capabilities and we anticipate that it will catalyze further research across diverse domains.

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables, transformations, and statistical models to consider. LM-based agents equipped with planning, memory, and code execution capabilities have the potential to support data-driven science. However, evaluating agents on such open-ended tasks is challenging due to multiple valid approaches, partially correct steps, and different ways to express the same decisions. To address these challenges, we present BLADE, a benchmark to automatically evaluate agents' multifaceted approaches to open-ended research questions. BLADE consists of 12 datasets and research questions drawn from existing scientific literature, with ground truth collected from independent analyses by expert data scientists and researchers. To automatically evaluate agent responses, we developed corresponding computational methods to match different representations of analyses to this ground truth. Though language models possess considerable world knowledge, our evaluation shows that they are often limited to basic analyses. However, agents capable of interacting with the underlying data demonstrate improved, but still non-optimal, diversity in their analytical decision making. Our work enables the evaluation of agents for data-driven science and provides researchers deeper insights into agents' analysis approaches.

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.

Solving complex real-world tasks requires cycles of actions and observations. This is particularly true in science, where tasks require many cycles of analysis, tool use, and experimentation. Language agents are promising for automating intellectual tasks in science because they can interact with tools via natural language or code. Yet their flexibility creates conceptual and practical challenges for software implementations, since agents may comprise non-standard components such as internal reasoning, planning, tool usage, as well as the inherent stochasticity of temperature-sampled language models. Here, we introduce Aviary, an extensible gymnasium for language agents. We formalize agents as policies solving language-grounded partially observable Markov decision processes, which we term language decision processes. We then implement five environments, including three challenging scientific environments: (1) manipulating DNA constructs for molecular cloning, (2) answering research questions by accessing scientific literature, and (3) engineering protein stability. These environments were selected for their focus on multi-step reasoning and their relevance to contemporary biology research. Finally, with online training and scaling inference-time compute, we show that language agents backed by open-source, non-frontier LLMs can match and exceed both frontier LLM agents and human experts on multiple tasks at up to 100x lower inference cost.

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

While AI systems demonstrate exponentially improving capabilities, the pace of AI research itself remains linearly bounded by human cognitive capacity, creating an increasingly severe development bottleneck. We present ASI-Arch, the first demonstration of Artificial Superintelligence for AI research (ASI4AI) in the critical domain of neural architecture discovery--a fully autonomous system that shatters this fundamental constraint by enabling AI to conduct its own architectural innovation. Moving beyond traditional Neural Architecture Search (NAS), which is fundamentally limited to exploring human-defined spaces, we introduce a paradigm shift from automated optimization to automated innovation. ASI-Arch can conduct end-to-end scientific research in the domain of architecture discovery, autonomously hypothesizing novel architectural concepts, implementing them as executable code, training and empirically validating their performance through rigorous experimentation and past experience. ASI-Arch conducted 1,773 autonomous experiments over 20,000 GPU hours, culminating in the discovery of 106 innovative, state-of-the-art (SOTA) linear attention architectures. Like AlphaGo's Move 37 that revealed unexpected strategic insights invisible to human players, our AI-discovered architectures demonstrate emergent design principles that systematically surpass human-designed baselines and illuminate previously unknown pathways for architectural innovation. Crucially, we establish the first empirical scaling law for scientific discovery itself--demonstrating that architectural breakthroughs can be scaled computationally, transforming research progress from a human-limited to a computation-scalable process. We provide comprehensive analysis of the emergent design patterns and autonomous research capabilities that enabled these breakthroughs, establishing a blueprint for self-accelerating AI systems.

Large Language Models (LLMs) are playing an expanding role in physics research by enhancing reasoning, symbolic manipulation, and numerical computation. However, ensuring the reliability and interpretability of their outputs remains a significant challenge. In our framework, we conceptualize the collaboration between AI and human scientists as a dynamic interplay among three modules: the reasoning module, the interpretation module, and the AI-scientist interaction module. Recognizing that effective physics reasoning demands rigorous logical consistency, quantitative precision, and deep integration with established theoretical models, we introduce the interpretation module to improve the understanding of AI-generated outputs, which is not previously explored in the literature. This module comprises multiple specialized agents, including summarizers, model builders, UI builders, and testers, which collaboratively structure LLM outputs within a physically grounded framework, by constructing a more interpretable science model. A case study demonstrates that our approach enhances transparency, facilitates validation, and strengthens AI-augmented reasoning in scientific discovery.

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by leveraging a combination of dynamic reasoning, adaptive long-horizon planning, multi-hop information retrieval, iterative tool use, and the generation of structured analytical reports. In this paper, we conduct a detailed analysis of the foundational technologies and architectural components that constitute Deep Research agents. We begin by reviewing information acquisition strategies, contrasting API-based retrieval methods with browser-based exploration. We then examine modular tool-use frameworks, including code execution, multimodal input processing, and the integration of Model Context Protocols (MCPs) to support extensibility and ecosystem development. To systematize existing approaches, we propose a taxonomy that differentiates between static and dynamic workflows, and we classify agent architectures based on planning strategies and agent composition, including single-agent and multi-agent configurations. We also provide a critical evaluation of current benchmarks, highlighting key limitations such as restricted access to external knowledge, sequential execution inefficiencies, and misalignment between evaluation metrics and the practical objectives of DR agents. Finally, we outline open challenges and promising directions for future research. A curated and continuously updated repository of DR agent research is available at: {https://github.com/ai-agents-2030/awesome-deep-research-agent}.

The scientific research paradigm is undergoing a profound transformation owing to the development of Artificial Intelligence (AI). Recent works demonstrate that various AI-assisted research methods can largely improve research efficiency by improving data analysis, accelerating computation, and fostering novel idea generation. To further move towards the ultimate goal (i.e., automatic scientific research), in this paper, we propose Dolphin, the first closed-loop open-ended auto-research framework to further build the entire process of human scientific research. Dolphin can generate research ideas, perform experiments, and get feedback from experimental results to generate higher-quality ideas. More specifically, Dolphin first generates novel ideas based on relevant papers which are ranked by the topic and task attributes. Then, the codes are automatically generated and debugged with the exception-traceback-guided local code structure. Finally, Dolphin automatically analyzes the results of each idea and feeds the results back to the next round of idea generation. Experiments are conducted on the benchmark datasets of different topics and results show that Dolphin can generate novel ideas continuously and complete the experiment in a loop. We highlight that Dolphin can automatically propose methods that are comparable to the state-of-the-art in some tasks such as 2D image classification and 3D point classification.

The rapid advancements of AI agents have ignited the long-held ambition of leveraging them to accelerate scientific discovery. Achieving this goal requires a deep understanding of the frontiers of human knowledge. As such, Humanity's Last Exam (HLE) provides an exceptionally challenging touchstone for evaluating scientific AI agents. In this work, we aim to construct the foundational architecture for general-purpose agents and validate the capabilities through leading performance on HLE. To achieve this, we introduce X-Master, a tool-augmented reasoning agent designed to emulate human researchers by interacting flexibly with external tools during its reasoning process. This agent, guided by the conceptualization of code as an interaction language, can flexibly leverage built-in Python libraries and our customized tools to augment the reasoning. We further scale its capabilities through X-Masters, a scattered-and-stacked agentic workflow that systematically enhances breadth and depth of reasoning. Our open-source solution, X-Masters, sets a new state-of-the-art record on HLE with a score of 32.1%, surpassing OpenAI's and Google's Deep Research (26.6% and 26.9%) and becoming the first to exceed the 30% threshold. This work allows us to gain a deeper understanding of complex task-solving and accumulates valuable experience that can inform future advancements, guiding subsequent model training.

Generative Artificial Intelligence (GenAI) constitutes a transformative technological wave that reconfigures industries through its unparalleled capabilities for content creation, reasoning, planning, and multimodal understanding. This revolutionary force offers the most promising path yet toward solving one of engineering's grandest challenges: achieving reliable, fully autonomous driving, particularly the pursuit of Level 5 autonomy. This survey delivers a comprehensive and critical synthesis of the emerging role of GenAI across the autonomous driving stack. We begin by distilling the principles and trade-offs of modern generative modeling, encompassing VAEs, GANs, Diffusion Models, and Large Language Models (LLMs). We then map their frontier applications in image, LiDAR, trajectory, occupancy, video generation as well as LLM-guided reasoning and decision making. We categorize practical applications, such as synthetic data workflows, end-to-end driving strategies, high-fidelity digital twin systems, smart transportation networks, and cross-domain transfer to embodied AI. We identify key obstacles and possibilities such as comprehensive generalization across rare cases, evaluation and safety checks, budget-limited implementation, regulatory compliance, ethical concerns, and environmental effects, while proposing research plans across theoretical assurances, trust metrics, transport integration, and socio-technical influence. By unifying these threads, the survey provides a forward-looking reference for researchers, engineers, and policymakers navigating the convergence of generative AI and advanced autonomous mobility. An actively maintained repository of cited works is available at https://github.com/taco-group/GenAI4AD.

Intelligent agents powered by large language models (LLMs) have demonstrated substantial promise in autonomously conducting experiments and facilitating scientific discoveries across various disciplines. While their capabilities are promising, they also introduce novel vulnerabilities that demand careful consideration for safety. However, there exists a notable gap in the literature, as there has been no comprehensive exploration of these vulnerabilities. This position paper fills this gap by conducting a thorough examination of vulnerabilities in LLM-based agents within scientific domains, shedding light on potential risks associated with their misuse and emphasizing the need for safety measures. We begin by providing a comprehensive overview of the potential risks inherent to scientific LLM agents, taking into account user intent, the specific scientific domain, and their potential impact on the external environment. Then, we delve into the origins of these vulnerabilities and provide a scoping review of the limited existing works. Based on our analysis, we propose a triadic framework involving human regulation, agent alignment, and an understanding of environmental feedback (agent regulation) to mitigate these identified risks. Furthermore, we highlight the limitations and challenges associated with safeguarding scientific agents and advocate for the development of improved models, robust benchmarks, and comprehensive regulations to address these issues effectively.

Despite long-standing efforts in accelerating scientific discovery with AI, building AI co-scientists remains challenging due to limited high-quality data for training and evaluation. To tackle this data scarcity issue, we present AutoSDT, an automatic pipeline that collects high-quality coding tasks in real-world data-driven discovery workflows. AutoSDT leverages the coding capabilities and parametric knowledge of LLMs to search for diverse sources, select ecologically valid tasks, and synthesize accurate task instructions and code solutions. Using our pipeline, we construct AutoSDT-5K, a dataset of 5,404 coding tasks for data-driven discovery that covers four scientific disciplines and 756 unique Python packages. To the best of our knowledge, AutoSDT-5K is the only automatically collected and the largest open dataset for data-driven scientific discovery. Expert feedback on a subset of 256 tasks shows the effectiveness of AutoSDT: 93% of the collected tasks are ecologically valid, and 92.2% of the synthesized programs are functionally correct. Trained on AutoSDT-5K, the Qwen2.5-Coder-Instruct LLM series, dubbed AutoSDT-Coder, show substantial improvement on two challenging data-driven discovery benchmarks, ScienceAgentBench and DiscoveryBench. Most notably, AutoSDT-Coder-32B reaches the same level of performance as GPT-4o on ScienceAgentBench with a success rate of 7.8%, doubling the performance of its base model. On DiscoveryBench, it lifts the hypothesis matching score to 8.1, bringing a 17.4% relative improvement and closing the gap between open-weight models and GPT-4o.

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research quality, we introduce Agent Laboratory, an autonomous LLM-based framework capable of completing the entire research process. This framework accepts a human-provided research idea and progresses through three stages--literature review, experimentation, and report writing to produce comprehensive research outputs, including a code repository and a research report, while enabling users to provide feedback and guidance at each stage. We deploy Agent Laboratory with various state-of-the-art LLMs and invite multiple researchers to assess its quality by participating in a survey, providing human feedback to guide the research process, and then evaluate the final paper. We found that: (1) Agent Laboratory driven by o1-preview generates the best research outcomes; (2) The generated machine learning code is able to achieve state-of-the-art performance compared to existing methods; (3) Human involvement, providing feedback at each stage, significantly improves the overall quality of research; (4) Agent Laboratory significantly reduces research expenses, achieving an 84% decrease compared to previous autonomous research methods. We hope Agent Laboratory enables researchers to allocate more effort toward creative ideation rather than low-level coding and writing, ultimately accelerating scientific discovery.

Artificial intelligence (AI) has made significant strides in recent years, yet it continues to struggle with a fundamental aspect of cognition present in all animals: common sense. Current AI systems, including those designed for complex tasks like autonomous driving, problem-solving challenges such as the Abstraction and Reasoning Corpus (ARC), and conversational benchmarks like the Turing Test, often lack the ability to adapt to new situations without extensive prior knowledge. This manuscript argues that integrating common sense into AI systems is essential for achieving true autonomy and unlocking the full societal and commercial value of AI. We propose a shift in the order of knowledge acquisition emphasizing the importance of developing AI systems that start from minimal prior knowledge and are capable of contextual learning, adaptive reasoning, and embodiment -- even within abstract domains. Additionally, we highlight the need to rethink the AI software stack to address this foundational challenge. Without common sense, AI systems may never reach true autonomy, instead exhibiting asymptotic performance that approaches theoretical ideals like AIXI but remains unattainable in practice due to infinite resource and computation requirements. While scaling AI models and passing benchmarks like the Turing Test have brought significant advancements in applications that do not require autonomy, these approaches alone are insufficient to achieve autonomous AI with common sense. By redefining existing benchmarks and challenges to enforce constraints that require genuine common sense, and by broadening our understanding of embodiment to include both physical and abstract domains, we can encourage the development of AI systems better equipped to handle the complexities of real-world and abstract environments.

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can implement scientific ideas when given varied amounts of code as a starting point, interpolating between reproduction (running code) and from-scratch replication (fully re-implementing and running code). We introduce AutoExperiment, a benchmark that evaluates AI agents' ability to implement and run machine learning experiments based on natural language descriptions in research papers. In each task, agents are given a research paper, a codebase with key functions masked out, and a command to run the experiment. The goal is to generate the missing code, execute the experiment in a sandboxed environment, and reproduce the results. AutoExperiment scales in difficulty by varying the number of missing functions n, ranging from partial reproduction to full replication. We evaluate state-of-the-art agents and find that performance degrades rapidly as n increases. Agents that can dynamically interact with the environment (e.g. to debug their code) can outperform agents in fixed "agentless" harnesses, and there exists a significant gap between single-shot and multi-trial success rates (Pass@1 vs. Pass@5), motivating verifier approaches to our benchmark. Our findings highlight critical challenges in long-horizon code generation, context retrieval, and autonomous experiment execution, establishing AutoExperiment as a new benchmark for evaluating progress in AI-driven scientific experimentation. Our data and code are open-sourced at https://github.com/j1mk1m/AutoExperiment .

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to augment their knowledge, and triggering actions. In particular, workflows involving multiple agents solving complex tasks in a collaborative fashion exemplify their capacity to operate in less strict and less well-defined environments. Thus, a multi-agent approach has great potential for serving as a backbone in many industrial applications, ranging from complex knowledge retrieval systems to next generation robotic process automation. Given the reasoning abilities within the current generation of LLMs, complex processes require a multi-step approach that includes a plan of well-defined and modular tasks. Depending on the level of complexity, these tasks can be executed either by a single agent or a group of agents. In this work, we focus on designing a flexible agent engineering framework with careful attention to planning and execution, capable of handling complex use case applications across various domains. The proposed framework provides reliability in industrial applications and presents techniques to ensure a scalable, flexible, and collaborative workflow for multiple autonomous agents working together towards solving tasks.

The rapid growth in the use of Large Language Models (LLMs) and AI Agents as part of software development and deployment is revolutionizing the information technology landscape. While code generation receives significant attention, a higher-impact application lies in using AI agents for operational resilience of cloud services, which currently require significant human effort and domain knowledge. There is a growing interest in AI for IT Operations (AIOps) which aims to automate complex operational tasks, like fault localization and root cause analysis, thereby reducing human intervention and customer impact. However, achieving the vision of autonomous and self-healing clouds though AIOps is hampered by the lack of standardized frameworks for building, evaluating, and improving AIOps agents. This vision paper lays the groundwork for such a framework by first framing the requirements and then discussing design decisions that satisfy them. We also propose AIOpsLab, a prototype implementation leveraging agent-cloud-interface that orchestrates an application, injects real-time faults using chaos engineering, and interfaces with an agent to localize and resolve the faults. We report promising results and lay the groundwork to build a modular and robust framework for building, evaluating, and improving agents for autonomous clouds.

Agentic UAVs represent a new frontier in autonomous aerial intelligence, integrating perception, decision-making, memory, and collaborative planning to operate adaptively in complex, real-world environments. Driven by recent advances in Agentic AI, these systems surpass traditional UAVs by exhibiting goal-driven behavior, contextual reasoning, and interactive autonomy. We provide a comprehensive foundation for understanding the architectural components and enabling technologies that distinguish Agentic UAVs from traditional autonomous UAVs. Furthermore, a detailed comparative analysis highlights advancements in autonomy with AI agents, learning, and mission flexibility. This study explores seven high-impact application domains precision agriculture, construction & mining, disaster response, environmental monitoring, infrastructure inspection, logistics, security, and wildlife conservation, illustrating the broad societal value of agentic aerial intelligence. Furthermore, we identify key challenges in technical constraints, regulatory limitations, and data-model reliability, and we present emerging solutions across hardware innovation, learning architectures, and human-AI interaction. Finally, a future roadmap is proposed, outlining pathways toward self-evolving aerial ecosystems, system-level collaboration, and sustainable, equitable deployments. This survey establishes a foundational framework for the future development, deployment, and governance of agentic aerial systems (Agentic UAVs) across diverse societal and industrial domains.

The automation of scientific discovery has been a long-standing goal within the research community, driven by the potential to accelerate knowledge creation. While significant progress has been made using commercial large language models (LLMs) as research assistants or idea generators, the possibility of automating the entire research process with open-source LLMs remains largely unexplored. This paper explores the feasibility of using open-source post-trained LLMs as autonomous agents capable of performing the full cycle of automated research and review, from literature review and manuscript preparation to peer review and paper revision. Our iterative preference training framework consists of CycleResearcher, which conducts research tasks, and CycleReviewer, which simulates the peer review process, providing iterative feedback via reinforcement learning. To train these models, we develop two new datasets, Review-5k and Research-14k, reflecting real-world machine learning research and peer review dynamics. Our results demonstrate that CycleReviewer achieves a 26.89\% improvement in mean absolute error (MAE) over individual human reviewers in predicting paper scores, indicating that LLMs can surpass expert-level performance in research evaluation. In research, the papers generated by the CycleResearcher model achieved a score of 5.36 in simulated peer reviews, surpassing the preprint level of 5.24 from human experts and approaching the accepted paper level of 5.69. This work represents a significant step toward fully automated scientific inquiry, providing ethical safeguards and advancing AI-driven research capabilities. The code, dataset and model weight are released at http://github/minjun-zhu/Researcher.

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific discovery progress across multiple aspects and domains. Among these, computer-using agents, capable of interacting with operating systems as humans do, are paving the way to automated scientific problem-solving and addressing routines in researchers' workflows. Recognizing the transformative potential of these agents, we introduce ScienceBoard, which encompasses two complementary contributions: (i) a realistic, multi-domain environment featuring dynamic and visually rich scientific workflows with integrated professional software, where agents can autonomously interact via different interfaces to accelerate complex research tasks and experiments; and (ii) a challenging benchmark of 169 high-quality, rigorously validated real-world tasks curated by humans, spanning scientific-discovery workflows in domains such as biochemistry, astronomy, and geoinformatics. Extensive evaluations of agents with state-of-the-art backbones (e.g., GPT-4o, Claude 3.7, UI-TARS) show that, despite some promising results, they still fall short of reliably assisting scientists in complex workflows, achieving only a 15% overall success rate. In-depth analysis further provides valuable insights for addressing current agent limitations and more effective design principles, paving the way to build more capable agents for scientific discovery. Our code, environment, and benchmark are at https://qiushisun.github.io/ScienceBoard-Home/.

Recent advancements in large language model (LLM) agents have significantly accelerated scientific discovery automation, yet concurrently raised critical ethical and safety concerns. To systematically address these challenges, we introduce SafeScientist, an innovative AI scientist framework explicitly designed to enhance safety and ethical responsibility in AI-driven scientific exploration. SafeScientist proactively refuses ethically inappropriate or high-risk tasks and rigorously emphasizes safety throughout the research process. To achieve comprehensive safety oversight, we integrate multiple defensive mechanisms, including prompt monitoring, agent-collaboration monitoring, tool-use monitoring, and an ethical reviewer component. Complementing SafeScientist, we propose SciSafetyBench, a novel benchmark specifically designed to evaluate AI safety in scientific contexts, comprising 240 high-risk scientific tasks across 6 domains, alongside 30 specially designed scientific tools and 120 tool-related risk tasks. Extensive experiments demonstrate that SafeScientist significantly improves safety performance by 35\% compared to traditional AI scientist frameworks, without compromising scientific output quality. Additionally, we rigorously validate the robustness of our safety pipeline against diverse adversarial attack methods, further confirming the effectiveness of our integrated approach. The code and data will be available at https://github.com/ulab-uiuc/SafeScientist. red{Warning: this paper contains example data that may be offensive or harmful.}

In recent years there has been a tremendous surge in the general capabilities of AI systems, mainly fuelled by training foundation models on internetscale data. Nevertheless, the creation of openended, ever self-improving AI remains elusive. In this position paper, we argue that the ingredients are now in place to achieve openendedness in AI systems with respect to a human observer. Furthermore, we claim that such open-endedness is an essential property of any artificial superhuman intelligence (ASI). We begin by providing a concrete formal definition of open-endedness through the lens of novelty and learnability. We then illustrate a path towards ASI via open-ended systems built on top of foundation models, capable of making novel, humanrelevant discoveries. We conclude by examining the safety implications of generally-capable openended AI. We expect that open-ended foundation models will prove to be an increasingly fertile and safety-critical area of research in the near future.

The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship remains latent potentiality until tasks impose constraints, akin to measurement. Yet, refining their sampling requires more than probabilistic selection: solutions must conform to specific structures or rules, ensuring consistency and the invocation of general principles. We present Graph-PReFLexOR (Graph-based Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning), a framework that combines graph reasoning with symbolic abstraction to dynamically expand domain knowledge. Inspired by reinforcement learning, Graph-PReFLexOR defines reasoning as a structured mapping, where tasks yield knowledge graphs, abstract patterns, and ultimately, final answers. Inspired by category theory, it encodes concepts as nodes and their relationships as edges, supporting hierarchical inference and adaptive learning through isomorphic representations. Demonstrations include hypothesis generation, materials design, and creative reasoning, such as discovering relationships between mythological concepts like 'thin places' with materials science. We propose a 'knowledge garden growth' strategy that integrates insights across domains, promoting interdisciplinary connections. Results with a 3-billion-parameter Graph-PReFLexOR model show superior reasoning depth and adaptability, underscoring the potential for transparent, multidisciplinary AI-driven discovery. It lays the groundwork for general autonomous reasoning solutions.

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers, hindering the applicability of LLM agents in domains which demand large numbers of highly specialised tools, like in life sciences and medicine. Motivated by the growing trend of scientific studies accompanied by public code repositories, we propose ToolMaker, a novel agentic framework that autonomously transforms papers with code into LLM-compatible tools. Given a short task description and a repository URL, ToolMaker autonomously installs required dependencies and generates code to perform the task, using a closed-loop self-correction mechanism to iteratively diagnose and rectify errors. To evaluate our approach, we introduce a benchmark comprising 15 diverse and complex computational tasks spanning both medical and non-medical domains with over 100 unit tests to objectively assess tool correctness and robustness. ToolMaker correctly implements 80% of the tasks, substantially outperforming current state-of-the-art software engineering agents. ToolMaker therefore is a step towards fully autonomous agent-based scientific workflows.

Long-horizon robotic manipulation poses significant challenges for autonomous systems, requiring extended reasoning, precise execution, and robust error recovery across complex sequential tasks. Current approaches, whether based on static planning or end-to-end visuomotor policies, suffer from error accumulation and lack effective verification mechanisms during execution, limiting their reliability in real-world scenarios. We present Agentic Robot, a brain-inspired framework that addresses these limitations through Standardized Action Procedures (SAP)--a novel coordination protocol governing component interactions throughout manipulation tasks. Drawing inspiration from Standardized Operating Procedures (SOPs) in human organizations, SAP establishes structured workflows for planning, execution, and verification phases. Our architecture comprises three specialized components: (1) a large reasoning model that decomposes high-level instructions into semantically coherent subgoals, (2) a vision-language-action executor that generates continuous control commands from real-time visual inputs, and (3) a temporal verifier that enables autonomous progression and error recovery through introspective assessment. This SAP-driven closed-loop design supports dynamic self-verification without external supervision. On the LIBERO benchmark, Agentic Robot achieves state-of-the-art performance with an average success rate of 79.6\%, outperforming SpatialVLA by 6.1\% and OpenVLA by 7.4\% on long-horizon tasks. These results demonstrate that SAP-driven coordination between specialized components enhances both performance and interpretability in sequential manipulation, suggesting significant potential for reliable autonomous systems. Project Github: https://agentic-robot.github.io.

Generative models offer a scalable and flexible paradigm for simulating complex environments, yet current approaches fall short in addressing the domain-specific requirements of autonomous driving - such as multi-agent interactions, fine-grained control, and multi-camera consistency. We introduce GAIA-2, Generative AI for Autonomy, a latent diffusion world model that unifies these capabilities within a single generative framework. GAIA-2 supports controllable video generation conditioned on a rich set of structured inputs: ego-vehicle dynamics, agent configurations, environmental factors, and road semantics. It generates high-resolution, spatiotemporally consistent multi-camera videos across geographically diverse driving environments (UK, US, Germany). The model integrates both structured conditioning and external latent embeddings (e.g., from a proprietary driving model) to facilitate flexible and semantically grounded scene synthesis. Through this integration, GAIA-2 enables scalable simulation of both common and rare driving scenarios, advancing the use of generative world models as a core tool in the development of autonomous systems. Videos are available at https://wayve.ai/thinking/gaia-2.

Agentic AI systems use specialized agents to handle tasks within complex workflows, enabling automation and efficiency. However, optimizing these systems often requires labor-intensive, manual adjustments to refine roles, tasks, and interactions. This paper introduces a framework for autonomously optimizing Agentic AI solutions across industries, such as NLP-driven enterprise applications. The system employs agents for Refinement, Execution, Evaluation, Modification, and Documentation, leveraging iterative feedback loops powered by an LLM (Llama 3.2-3B). The framework achieves optimal performance without human input by autonomously generating and testing hypotheses to improve system configurations. This approach enhances scalability and adaptability, offering a robust solution for real-world applications in dynamic environments. Case studies across diverse domains illustrate the transformative impact of this framework, showcasing significant improvements in output quality, relevance, and actionability. All data for these case studies, including original and evolved agent codes, along with their outputs, are here: https://anonymous.4open.science/r/evolver-1D11/

Agentic AI systems represent a new frontier in artificial intelligence, where agents often based on large language models(LLMs) interact with tools, environments, and other agents to accomplish tasks with a degree of autonomy. These systems show promise across a range of domains, but their architectural underpinnings remain immature. This paper conducts a comprehensive review of the types of agents, their modes of interaction with the environment, and the infrastructural and architectural challenges that emerge. We identify a gap in how these systems manage tool orchestration at scale and propose a reusable design abstraction: the "Control Plane as a Tool" pattern. This pattern allows developers to expose a single tool interface to an agent while encapsulating modular tool routing logic behind it. We position this pattern within the broader context of agent design and argue that it addresses several key challenges in scaling, safety, and extensibility.

Current automated systems have crucial limitations that need to be addressed before artificial intelligence can reach human-like levels and bring new technological revolutions. Among others, our societies still lack Level 5 self-driving cars, domestic robots, and virtual assistants that learn reliable world models, reason, and plan complex action sequences. In these notes, we summarize the main ideas behind the architecture of autonomous intelligence of the future proposed by Yann LeCun. In particular, we introduce energy-based and latent variable models and combine their advantages in the building block of LeCun's proposal, that is, in the hierarchical joint embedding predictive architecture (H-JEPA).

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.

We propose an agent architecture that automates parts of the common reinforcement learning experiment workflow, to enable automated mastery of control domains for embodied agents. To do so, it leverages a VLM to perform some of the capabilities normally required of a human experimenter, including the monitoring and analysis of experiment progress, the proposition of new tasks based on past successes and failures of the agent, decomposing tasks into a sequence of subtasks (skills), and retrieval of the skill to execute - enabling our system to build automated curricula for learning. We believe this is one of the first proposals for a system that leverages a VLM throughout the full experiment cycle of reinforcement learning. We provide a first prototype of this system, and examine the feasibility of current models and techniques for the desired level of automation. For this, we use a standard Gemini model, without additional fine-tuning, to provide a curriculum of skills to a language-conditioned Actor-Critic algorithm, in order to steer data collection so as to aid learning new skills. Data collected in this way is shown to be useful for learning and iteratively improving control policies in a robotics domain. Additional examination of the ability of the system to build a growing library of skills, and to judge the progress of the training of those skills, also shows promising results, suggesting that the proposed architecture provides a potential recipe for fully automated mastery of tasks and domains for embodied agents.

Scientific discovery relies on scientists generating novel hypotheses that undergo rigorous experimental validation. To augment this process, we introduce an AI co-scientist, a multi-agent system built on Gemini 2.0. The AI co-scientist is intended to help uncover new, original knowledge and to formulate demonstrably novel research hypotheses and proposals, building upon prior evidence and aligned to scientist-provided research objectives and guidance. The system's design incorporates a generate, debate, and evolve approach to hypothesis generation, inspired by the scientific method and accelerated by scaling test-time compute. Key contributions include: (1) a multi-agent architecture with an asynchronous task execution framework for flexible compute scaling; (2) a tournament evolution process for self-improving hypotheses generation. Automated evaluations show continued benefits of test-time compute, improving hypothesis quality. While general purpose, we focus development and validation in three biomedical areas: drug repurposing, novel target discovery, and explaining mechanisms of bacterial evolution and anti-microbial resistance. For drug repurposing, the system proposes candidates with promising validation findings, including candidates for acute myeloid leukemia that show tumor inhibition in vitro at clinically applicable concentrations. For novel target discovery, the AI co-scientist proposed new epigenetic targets for liver fibrosis, validated by anti-fibrotic activity and liver cell regeneration in human hepatic organoids. Finally, the AI co-scientist recapitulated unpublished experimental results via a parallel in silico discovery of a novel gene transfer mechanism in bacterial evolution. These results, detailed in separate, co-timed reports, demonstrate the potential to augment biomedical and scientific discovery and usher an era of AI empowered scientists.

Autonomous agents powered by large language models (LLMs) have attracted significant research interest. However, the open-source community faces many challenges in developing specialized models for agent tasks, driven by the scarcity of high-quality agent datasets and the absence of standard protocols in this area. We introduce and publicly release xLAM, a series of large action models designed for AI agent tasks. The xLAM series includes five models with both dense and mixture-of-expert architectures, ranging from 1B to 8x22B parameters, trained using a scalable, flexible pipeline that unifies, augments, and synthesizes diverse datasets to enhance AI agents' generalizability and performance across varied environments. Our experimental results demonstrate that xLAM consistently delivers exceptional performance across multiple agent ability benchmarks, notably securing the 1st position on the Berkeley Function-Calling Leaderboard, outperforming GPT-4, Claude-3, and many other models in terms of tool use. By releasing the xLAM series, we aim to advance the performance of open-source LLMs for autonomous AI agents, potentially accelerating progress and democratizing access to high-performance models for agent tasks. Models are available at https://huggingface.co/collections/Salesforce/xlam-models-65f00e2a0a63bbcd1c2dade4

Intelligence is a crucial trait for species to find solutions within a limited number of trial-and-error attempts. Building on this idea, we introduce Survival Game as a framework to evaluate intelligence based on the number of failed attempts in a trial-and-error process. Fewer failures indicate higher intelligence. When the expectation and variance of failure counts are both finite, it signals the ability to consistently find solutions to new challenges, which we define as the Autonomous Level of intelligence. Using Survival Game, we comprehensively evaluate existing AI systems. Our results show that while AI systems achieve the Autonomous Level in simple tasks, they are still far from it in more complex tasks, such as vision, search, recommendation, and language. While scaling current AI technologies might help, this would come at an astronomical cost. Projections suggest that achieving the Autonomous Level for general tasks would require 10^{26} parameters. To put this into perspective, loading such a massive model requires so many H100 GPUs that their total value is 10^{7} times that of Apple Inc.'s market value. Even with Moore's Law, supporting such a parameter scale would take 70 years. This staggering cost highlights the complexity of human tasks and the inadequacies of current AI technologies. To further investigate this phenomenon, we conduct a theoretical analysis of Survival Game and its experimental results. Our findings suggest that human tasks possess a criticality property. As a result, Autonomous Level requires a deep understanding of the task's underlying mechanisms. Current AI systems, however, do not fully grasp these mechanisms and instead rely on superficial mimicry, making it difficult for them to reach an autonomous level. We believe Survival Game can not only guide the future development of AI but also offer profound insights into human intelligence.

Recent years have seen rapid advances in AI-driven image generation. Early diffusion models emphasized perceptual quality, while newer multimodal models like GPT-4o-image integrate high-level reasoning, improving semantic understanding and structural composition. Scientific illustration generation exemplifies this evolution: unlike general image synthesis, it demands accurate interpretation of technical content and transformation of abstract ideas into clear, standardized visuals. This task is significantly more knowledge-intensive and laborious, often requiring hours of manual work and specialized tools. Automating it in a controllable, intelligent manner would provide substantial practical value. Yet, no benchmark currently exists to evaluate AI on this front. To fill this gap, we introduce SridBench, the first benchmark for scientific figure generation. It comprises 1,120 instances curated from leading scientific papers across 13 natural and computer science disciplines, collected via human experts and MLLMs. Each sample is evaluated along six dimensions, including semantic fidelity and structural accuracy. Experimental results reveal that even top-tier models like GPT-4o-image lag behind human performance, with common issues in text/visual clarity and scientific correctness. These findings highlight the need for more advanced reasoning-driven visual generation capabilities.

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback and grounding it with language to propel advancements in physical scientific discovery. Conversely, human scientists undertake scientific discovery by formulating hypotheses, conducting experiments, and revising theories through observational analysis. Inspired by this, we propose to enhance the knowledge-driven, abstract reasoning abilities of LLMs with the computational strength of simulations. We introduce Scientific Generative Agent (SGA), a bilevel optimization framework: LLMs act as knowledgeable and versatile thinkers, proposing scientific hypotheses and reason about discrete components, such as physics equations or molecule structures; meanwhile, simulations function as experimental platforms, providing observational feedback and optimizing via differentiability for continuous parts, such as physical parameters. We conduct extensive experiments to demonstrate our framework's efficacy in constitutive law discovery and molecular design, unveiling novel solutions that differ from conventional human expectations yet remain coherent upon analysis.

Information retrieval is a cornerstone of modern knowledge acquisition, enabling billions of queries each day across diverse domains. However, traditional keyword-based search engines are increasingly inadequate for handling complex, multi-step information needs. Our position is that Large Language Models (LLMs), endowed with reasoning and agentic capabilities, are ushering in a new paradigm termed Agentic Deep Research. These systems transcend conventional information search techniques by tightly integrating autonomous reasoning, iterative retrieval, and information synthesis into a dynamic feedback loop. We trace the evolution from static web search to interactive, agent-based systems that plan, explore, and learn. We also introduce a test-time scaling law to formalize the impact of computational depth on reasoning and search. Supported by benchmark results and the rise of open-source implementations, we demonstrate that Agentic Deep Research not only significantly outperforms existing approaches, but is also poised to become the dominant paradigm for future information seeking. All the related resources, including industry products, research papers, benchmark datasets, and open-source implementations, are collected for the community in https://github.com/DavidZWZ/Awesome-Deep-Research.

The availability of representative datasets is an essential prerequisite for many successful artificial intelligence and machine learning models. However, in real life applications these models often encounter scenarios that are inadequately represented in the data used for training. There are various reasons for the absence of sufficient data, ranging from time and cost constraints to ethical considerations. As a consequence, the reliable usage of these models, especially in safety-critical applications, is still a tremendous challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches. Knowledge augmented machine learning approaches offer the possibility of compensating for deficiencies, errors, or ambiguities in the data, thus increasing the generalization capability of the applied models. Even more, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-driven models with existing knowledge. The identified approaches are structured according to the categories knowledge integration, extraction and conformity. In particular, we address the application of the presented methods in the field of autonomous driving.

Intelligent instruction-following robots capable of improving from autonomously collected experience have the potential to transform robot learning: instead of collecting costly teleoperated demonstration data, large-scale deployment of fleets of robots can quickly collect larger quantities of autonomous data that can collectively improve their performance. However, autonomous improvement requires solving two key problems: (i) fully automating a scalable data collection procedure that can collect diverse and semantically meaningful robot data and (ii) learning from non-optimal, autonomous data with no human annotations. To this end, we propose a novel approach that addresses these challenges, allowing instruction-following policies to improve from autonomously collected data without human supervision. Our framework leverages vision-language models to collect and evaluate semantically meaningful experiences in new environments, and then utilizes a decomposition of instruction following tasks into (semantic) language-conditioned image generation and (non-semantic) goal reaching, which makes it significantly more practical to improve from this autonomously collected data without any human annotations. We carry out extensive experiments in the real world to demonstrate the effectiveness of our approach, and find that in a suite of unseen environments, the robot policy can be improved significantly with autonomously collected data. We open-source the code for our semantic autonomous improvement pipeline, as well as our autonomous dataset of 30.5K trajectories collected across five tabletop environments.

Autonomous agents, which perceive environments and take actions to achieve goals, have become increasingly feasible with the advancements in large language models (LLMs). However, current powerful agents often depend on sophisticated prompt engineering combined with closed-source LLMs like GPT-4. Although training open-source LLMs using expert trajectories from teacher models has yielded some improvements in agent capabilities, this approach still faces limitations such as performance plateauing and error propagation. To mitigate these challenges, we propose STeP, a novel method for improving LLM-based agent training. We synthesize self-reflected trajectories that include reflections and corrections of error steps, which enhance the effectiveness of LLM agents in learning from teacher models, enabling them to become agents capable of self-reflecting and correcting. We also introduce partial masking strategy that prevents the LLM from internalizing incorrect or suboptimal steps. Experiments demonstrate that our method improves agent performance across three representative tasks: ALFWorld, WebShop, and SciWorld. For the open-source model LLaMA2-7B-Chat, when trained using self-reflected trajectories constructed with Qwen1.5-110B-Chat as the teacher model, it achieves comprehensive improvements with less training data compared to agents trained exclusively on expert trajectories.

Autonomous agents powered by large language models (LLMs) have garnered significant research attention. However, fully harnessing the potential of LLMs for agent-based tasks presents inherent challenges due to the heterogeneous nature of diverse data sources featuring multi-turn trajectories. In this paper, we introduce AgentOhana as a comprehensive solution to address these challenges. AgentOhana aggregates agent trajectories from distinct environments, spanning a wide array of scenarios. It meticulously standardizes and unifies these trajectories into a consistent format, streamlining the creation of a generic data loader optimized for agent training. Leveraging the data unification, our training pipeline maintains equilibrium across different data sources and preserves independent randomness across devices during dataset partitioning and model training. Additionally, we present xLAM-v0.1, a large action model tailored for AI agents, which demonstrates exceptional performance across various benchmarks.

Artificial intelligence is gradually demonstrating its immense potential, and increasing attention is being given to how AI can be harnessed to advance scientific research. In this vision paper, we present our perspectives on how AI can better assist scientific inquiry and explore corresponding technical approach. We have proposed and open-sourced a large model of our KALE-LM model series, Llama3-KALE-LM-Chem-8B, which has achieved outstanding performance in tasks related to the field of chemistry. We hope that our work serves as a strong starting point, helping to realize more intelligent AI and promoting the advancement of human science and technology, as well as societal development.

This review article is an attempt to survey all recent AI based techniques used to deal with major functions in This review paper presents a comprehensive overview of end-to-end deep learning frameworks used in the context of autonomous navigation, including obstacle detection, scene perception, path planning, and control. The paper aims to bridge the gap between autonomous navigation and deep learning by analyzing recent research studies and evaluating the implementation and testing of deep learning methods. It emphasizes the importance of navigation for mobile robots, autonomous vehicles, and unmanned aerial vehicles, while also acknowledging the challenges due to environmental complexity, uncertainty, obstacles, dynamic environments, and the need to plan paths for multiple agents. The review highlights the rapid growth of deep learning in engineering data science and its development of innovative navigation methods. It discusses recent interdisciplinary work related to this field and provides a brief perspective on the limitations, challenges, and potential areas of growth for deep learning methods in autonomous navigation. Finally, the paper summarizes the findings and practices at different stages, correlating existing and future methods, their applicability, scalability, and limitations. The review provides a valuable resource for researchers and practitioners working in the field of autonomous navigation and deep learning.

Recent advancements have positioned AI, and particularly Large Language Models (LLMs), as transformative tools for scientific research, capable of addressing complex tasks that require reasoning, problem-solving, and decision-making. Their exceptional capabilities suggest their potential as scientific research assistants but also highlight the need for holistic, rigorous, and domain-specific evaluation to assess effectiveness in real-world scientific applications. This paper describes a multifaceted methodology for Evaluating AI models as scientific Research Assistants (EAIRA) developed at Argonne National Laboratory. This methodology incorporates four primary classes of evaluations. 1) Multiple Choice Questions to assess factual recall; 2) Open Response to evaluate advanced reasoning and problem-solving skills; 3) Lab-Style Experiments involving detailed analysis of capabilities as research assistants in controlled environments; and 4) Field-Style Experiments to capture researcher-LLM interactions at scale in a wide range of scientific domains and applications. These complementary methods enable a comprehensive analysis of LLM strengths and weaknesses with respect to their scientific knowledge, reasoning abilities, and adaptability. Recognizing the rapid pace of LLM advancements, we designed the methodology to evolve and adapt so as to ensure its continued relevance and applicability. This paper describes the methodology state at the end of February 2025. Although developed within a subset of scientific domains, the methodology is designed to be generalizable to a wide range of scientific domains.

Rapid advancements in large language models (LLMs) have the potential to assist in scientific progress. A critical capability toward this endeavor is the ability to reproduce existing work. To evaluate the ability of AI agents to reproduce results in an active research area, we introduce the Automated LLM Speedrunning Benchmark, leveraging the research community contributions on the NanoGPT speedrun, a competition to train a GPT-2 model in the shortest time. Each of the 19 speedrun tasks provides the agent with the previous records training script, optionally paired with one of three hint formats, ranging from pseudocode to paper-like descriptions of the new records improvements. Records execute quickly by design and speedrun improvements encompass diverse code-level changes, ranging from high-level algorithmic advancements to hardware-aware optimizations. These features make the benchmark both accessible and realistic for the frontier problem of improving LLM training. We find that recent reasoning LLMs combined with SoTA scaffolds struggle to reimplement already-known innovations in our benchmark, even when given detailed hints. Our benchmark thus provides a simple, non-saturated measure of an LLMs ability to automate scientific reproduction, a necessary (but not sufficient) skill for an autonomous research agent.

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.

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

Large-scale datasets have fueled recent advancements in AI-based autonomous vehicle research. However, these datasets are usually collected from a single vehicle's one-time pass of a certain location, lacking multiagent interactions or repeated traversals of the same place. Such information could lead to transformative enhancements in autonomous vehicles' perception, prediction, and planning capabilities. To bridge this gap, in collaboration with the self-driving company May Mobility, we present the MARS dataset which unifies scenarios that enable MultiAgent, multitraveRSal, and multimodal autonomous vehicle research. More specifically, MARS is collected with a fleet of autonomous vehicles driving within a certain geographical area. Each vehicle has its own route and different vehicles may appear at nearby locations. Each vehicle is equipped with a LiDAR and surround-view RGB cameras. We curate two subsets in MARS: one facilitates collaborative driving with multiple vehicles simultaneously present at the same location, and the other enables memory retrospection through asynchronous traversals of the same location by multiple vehicles. We conduct experiments in place recognition and neural reconstruction. More importantly, MARS introduces new research opportunities and challenges such as multitraversal 3D reconstruction, multiagent perception, and unsupervised object discovery. Our data and codes can be found at https://ai4ce.github.io/MARS/.

OpenAI o1 and DeepSeek R1 achieve or even surpass human expert-level performance in complex domains like mathematics and science, with reinforcement learning (RL) and reasoning playing a crucial role. In autonomous driving, recent end-to-end models have greatly improved planning performance but still struggle with long-tailed problems due to limited common sense and reasoning abilities. Some studies integrate vision-language models (VLMs) into autonomous driving, but they typically rely on pre-trained models with simple supervised fine-tuning (SFT) on driving data, without further exploration of training strategies or optimizations specifically tailored for planning. In this paper, we propose AlphaDrive, a RL and reasoning framework for VLMs in autonomous driving. AlphaDrive introduces four GRPO-based RL rewards tailored for planning and employs a two-stage planning reasoning training strategy that combines SFT with RL. As a result, AlphaDrive significantly improves both planning performance and training efficiency compared to using only SFT or without reasoning. Moreover, we are also excited to discover that, following RL training, AlphaDrive exhibits some emergent multimodal planning capabilities, which is critical for improving driving safety and efficiency. To the best of our knowledge, AlphaDrive is the first to integrate GRPO-based RL with planning reasoning into autonomous driving. Code will be released to facilitate future research.

This review presents a comprehensive analysis of two emerging paradigms in AI-assisted software development: vibe coding and agentic coding. While both leverage large language models (LLMs), they differ fundamentally in autonomy, architectural design, and the role of the developer. Vibe coding emphasizes intuitive, human-in-the-loop interaction through prompt-based, conversational workflows that support ideation, experimentation, and creative exploration. In contrast, agentic coding enables autonomous software development through goal-driven agents capable of planning, executing, testing, and iterating tasks with minimal human intervention. We propose a detailed taxonomy spanning conceptual foundations, execution models, feedback loops, safety mechanisms, debugging strategies, and real-world tool ecosystems. Through comparative workflow analysis and 20 detailed use cases, we illustrate how vibe systems thrive in early-stage prototyping and education, while agentic systems excel in enterprise-grade automation, codebase refactoring, and CI/CD integration. We further examine emerging trends in hybrid architectures, where natural language interfaces are coupled with autonomous execution pipelines. Finally, we articulate a future roadmap for agentic AI, outlining the infrastructure needed for trustworthy, explainable, and collaborative systems. Our findings suggest that successful AI software engineering will rely not on choosing one paradigm, but on harmonizing their strengths within a unified, human-centered development lifecycle.

Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality constraints. This often leads to aimless hypothesizing and a failure to consistently link hypotheses with evidence, thereby hindering systematic uncertainty reduction. Overcoming these limitations fundamentally requires systematic uncertainty reduction. We introduce PiFlow, an information-theoretical framework, treating automated scientific discovery as a structured uncertainty reduction problem guided by principles (e.g., scientific laws). In evaluations across three distinct scientific domains -- discovering nanomaterial structures, bio-molecules, and superconductor candidates with targeted properties -- our method significantly improves discovery efficiency, reflected by a 73.55\% increase in the Area Under the Curve (AUC) of property values versus exploration steps, and enhances solution quality by 94.06\% compared to a vanilla agent system. Overall, PiFlow serves as a Plug-and-Play method, establishing a novel paradigm shift in highly efficient automated scientific discovery, paving the way for more robust and accelerated AI-driven research. Code is publicly available at our https://github.com/amair-lab/PiFlow{GitHub}.

We introduce tulip agent, an architecture for autonomous LLM-based agents with Create, Read, Update, and Delete access to a tool library containing a potentially large number of tools. In contrast to state-of-the-art implementations, tulip agent does not encode the descriptions of all available tools in the system prompt, which counts against the model's context window, or embed the entire prompt for retrieving suitable tools. Instead, the tulip agent can recursively search for suitable tools in its extensible tool library, implemented exemplarily as a vector store. The tulip agent architecture significantly reduces inference costs, allows using even large tool libraries, and enables the agent to adapt and extend its set of tools. We evaluate the architecture with several ablation studies in a mathematics context and demonstrate its generalizability with an application to robotics. A reference implementation and the benchmark are available at github.com/HRI-EU/tulip_agent.

The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with additional tools and resources. Recent LLM-powered frameworks offer promising solutions for handling complex domain-specific tasks, yet their domain-specific implementation limits broader applicability. This highlights the need for LLM-integrated systems that can assist in cross-disciplinary tasks, such as streamlining the research process across science and engineering disciplines. To address this need, we introduce Artificial Research Innovator Assistant (ARIA), a four-agent, multi-LLM framework. By emulating a team of expert assistants, ARIA systematically replicates the human research workflow to autonomously search, retrieve, and filter hundreds of papers, subsequently synthesizing relevant literature into actionable research procedures. In a case study on dropwise condensation enhancement, ARIA demonstrates its capability to streamline research tasks within an hour, maintaining user oversight during execution and ultimately liberating researchers from time-intensive tasks.

Efficient experiment reproduction is critical to accelerating progress in artificial intelligence. However, the inherent complexity of method design and training procedures presents substantial challenges for automation. Notably, reproducing experiments often requires implicit domain-specific knowledge not explicitly documented in the original papers. To address this, we introduce the paper lineage algorithm, which identifies and extracts implicit knowledge from the relevant references cited by the target paper. Building on this idea, we propose AutoReproduce, a multi-agent framework capable of automatically reproducing experiments described in research papers in an end-to-end manner. AutoReproduce enhances code executability by generating unit tests alongside the reproduction process. To evaluate the reproduction capability, we construct ReproduceBench, a benchmark annotated with verified implementations, and introduce novel evaluation metrics to assess both the reproduction and execution fidelity. Experimental results demonstrate that AutoReproduce outperforms the existing strong agent baselines on all five evaluation metrics by a peak margin of over 70%. In particular, compared to the official implementations, AutoReproduce achieves an average performance gap of 22.1% on 89.74% of the executable experiment runs. The code will be available at https://github.com/AI9Stars/AutoReproduce.

Advancements in generative AI have broadened the potential applications of Large Language Models (LLMs) in the development of autonomous agents. Achieving true autonomy requires accumulating and updating knowledge gained from interactions with the environment and effectively utilizing it. Current LLM-based approaches leverage past experiences using a full history of observations, summarization or retrieval augmentation. However, these unstructured memory representations do not facilitate the reasoning and planning essential for complex decision-making. In our study, we introduce AriGraph, a novel method wherein the agent constructs a memory graph that integrates semantic and episodic memories while exploring the environment. This graph structure facilitates efficient associative retrieval of interconnected concepts, relevant to the agent's current state and goals, thus serving as an effective environmental model that enhances the agent's exploratory and planning capabilities. We demonstrate that our Ariadne LLM agent, equipped with this proposed memory architecture augmented with planning and decision-making, effectively handles complex tasks on a zero-shot basis in the TextWorld environment. Our approach markedly outperforms established methods such as full-history, summarization, and Retrieval-Augmented Generation in various tasks, including the cooking challenge from the First TextWorld Problems competition and novel tasks like house cleaning and puzzle Treasure Hunting.

The remarkable capabilities and intricate nature of Artificial Intelligence (AI) have dramatically escalated the imperative for specialized AI accelerators. Nonetheless, designing these accelerators for various AI workloads remains both labor- and time-intensive. While existing design exploration and automation tools can partially alleviate the need for extensive human involvement, they still demand substantial hardware expertise, posing a barrier to non-experts and stifling AI accelerator development. Motivated by the astonishing potential of large language models (LLMs) for generating high-quality content in response to human language instructions, we embark on this work to examine the possibility of harnessing LLMs to automate AI accelerator design. Through this endeavor, we develop GPT4AIGChip, a framework intended to democratize AI accelerator design by leveraging human natural languages instead of domain-specific languages. Specifically, we first perform an in-depth investigation into LLMs' limitations and capabilities for AI accelerator design, thus aiding our understanding of our current position and garnering insights into LLM-powered automated AI accelerator design. Furthermore, drawing inspiration from the above insights, we develop a framework called GPT4AIGChip, which features an automated demo-augmented prompt-generation pipeline utilizing in-context learning to guide LLMs towards creating high-quality AI accelerator design. To our knowledge, this work is the first to demonstrate an effective pipeline for LLM-powered automated AI accelerator generation. Accordingly, we anticipate that our insights and framework can serve as a catalyst for innovations in next-generation LLM-powered design automation tools.

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based scientific agents that automate critical tasks, ranging from hypothesis generation and experiment design to data analysis and simulation. Unlike general-purpose LLMs, these specialized agents integrate domain-specific knowledge, advanced tool sets, and robust validation mechanisms, enabling them to handle complex data types, ensure reproducibility, and drive scientific breakthroughs. This survey provides a focused review of the architectures, design, benchmarks, applications, and ethical considerations surrounding LLM-based scientific agents. We highlight why they differ from general agents and the ways in which they advance research across various scientific fields. By examining their development and challenges, this survey offers a comprehensive roadmap for researchers and practitioners to harness these agents for more efficient, reliable, and ethically sound scientific discovery.

Machine learning research, crucial for technological advancements and innovation, often faces significant challenges due to its inherent complexity, slow pace of experimentation, and the necessity for specialized expertise. Motivated by this, we present a new systematic framework, autonomous Machine Learning Research with large language models (MLR-Copilot), designed to enhance machine learning research productivity through the automatic generation and implementation of research ideas using Large Language Model (LLM) agents. The framework consists of three phases: research idea generation, experiment implementation, and implementation execution. First, existing research papers are used to generate hypotheses and experimental plans vis IdeaAgent powered by LLMs. Next, the implementation generation phase translates these plans into executables with ExperimentAgent. This phase leverages retrieved prototype code and optionally retrieves candidate models and data. Finally, the execution phase, also managed by ExperimentAgent, involves running experiments with mechanisms for human feedback and iterative debugging to enhance the likelihood of achieving executable research outcomes. We evaluate our framework on five machine learning research tasks and the experimental results show the framework's potential to facilitate the research progress and innovations.

Large Language Models (LLMs) have revolutionized various aspects of engineering and science. Their utility is often bottlenecked by the lack of interaction with the external digital environment. To overcome this limitation and achieve integration of LLMs and Artificial Intelligence (AI) into real-world applications, customized AI agents are being constructed. Based on the technological trends and techniques, we extract a high-level approach for constructing these AI agents, focusing on their underlying architecture. This thesis serves as a comprehensive guide that elucidates a multi-faceted approach for empowering LLMs with the capability to leverage Application Programming Interfaces (APIs). We present a 7-step methodology that begins with the selection of suitable LLMs and the task decomposition that is necessary for complex problem-solving. This methodology includes techniques for generating training data for API interactions and heuristics for selecting the appropriate API among a plethora of options. These steps eventually lead to the generation of API calls that are both syntactically and semantically aligned with the LLM's understanding of a given task. Moreover, we review existing frameworks and tools that facilitate these processes and highlight the gaps in current attempts. In this direction, we propose an on-device architecture that aims to exploit the functionality of carry-on devices by using small models from the Hugging Face community. We examine the effectiveness of these approaches on real-world applications of various domains, including the generation of a piano sheet. Through an extensive analysis of the literature and available technologies, this thesis aims to set a compass for researchers and practitioners to harness the full potential of LLMs augmented with external tool capabilities, thus paving the way for more autonomous, robust, and context-aware AI agents.

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up complex tools, which is in general time-consuming and requires a large amount of human effort. Therefore, recent works have started exploiting large language models (LLM) to lessen such burden and increase the usability of AutoML frameworks via a natural language interface, allowing non-expert users to build their data-driven solutions. These methods, however, are usually designed only for a particular process in the AI development pipeline and do not efficiently use the inherent capacity of the LLMs. This paper proposes AutoML-Agent, a novel multi-agent framework tailored for full-pipeline AutoML, i.e., from data retrieval to model deployment. AutoML-Agent takes user's task descriptions, facilitates collaboration between specialized LLM agents, and delivers deployment-ready models. Unlike existing work, instead of devising a single plan, we introduce a retrieval-augmented planning strategy to enhance exploration to search for more optimal plans. We also decompose each plan into sub-tasks (e.g., data preprocessing and neural network design) each of which is solved by a specialized agent we build via prompting executing in parallel, making the search process more efficient. Moreover, we propose a multi-stage verification to verify executed results and guide the code generation LLM in implementing successful solutions. Extensive experiments on seven downstream tasks using fourteen datasets show that AutoML-Agent achieves a higher success rate in automating the full AutoML process, yielding systems with good performance throughout the diverse domains.

Artificial Intelligence (AI) is accelerating the transformation of scientific research paradigms, not only enhancing research efficiency but also driving innovation. We introduce NovelSeek, a unified closed-loop multi-agent framework to conduct Autonomous Scientific Research (ASR) across various scientific research fields, enabling researchers to tackle complicated problems in these fields with unprecedented speed and precision. NovelSeek highlights three key advantages: 1) Scalability: NovelSeek has demonstrated its versatility across 12 scientific research tasks, capable of generating innovative ideas to enhance the performance of baseline code. 2) Interactivity: NovelSeek provides an interface for human expert feedback and multi-agent interaction in automated end-to-end processes, allowing for the seamless integration of domain expert knowledge. 3) Efficiency: NovelSeek has achieved promising performance gains in several scientific fields with significantly less time cost compared to human efforts. For instance, in reaction yield prediction, it increased from 27.6% to 35.4% in just 12 hours; in enhancer activity prediction, accuracy rose from 0.52 to 0.79 with only 4 hours of processing; and in 2D semantic segmentation, precision advanced from 78.8% to 81.0% in a mere 30 hours.

The rapid development and adoption of Generative AI (GAI) technology in the form of chatbots such as ChatGPT and Claude has greatly increased interest in agentic machines. This paper introduces the Autonomous Cognitive Entity (ACE) model, a novel framework for a cognitive architecture, enabling machines and software agents to operate more independently. Drawing inspiration from the OSI model, the ACE framework presents layers of abstraction to conceptualize artificial cognitive architectures. The model is designed to harness the capabilities of the latest generative AI technologies, including large language models (LLMs) and multimodal generative models (MMMs), to build autonomous, agentic systems. The ACE framework comprises six layers: the Aspirational Layer, Global Strategy, Agent Model, Executive Function, Cognitive Control, and Task Prosecution. Each layer plays a distinct role, ranging from setting the moral compass and strategic thinking to task selection and execution. The ACE framework also incorporates mechanisms for handling failures and adapting actions, thereby enhancing the robustness and flexibility of autonomous agents. This paper introduces the conceptual framework and proposes implementation strategies that have been tested and observed in industry. The goal of this paper is to formalize this framework so as to be more accessible.

Autonomous driving promises transformative improvements to transportation, but building systems capable of safely navigating the unstructured complexity of real-world scenarios remains challenging. A critical problem lies in effectively predicting the various potential outcomes that may emerge in response to the vehicle's actions as the world evolves. To address this challenge, we introduce GAIA-1 ('Generative AI for Autonomy'), a generative world model that leverages video, text, and action inputs to generate realistic driving scenarios while offering fine-grained control over ego-vehicle behavior and scene features. Our approach casts world modeling as an unsupervised sequence modeling problem by mapping the inputs to discrete tokens, and predicting the next token in the sequence. Emerging properties from our model include learning high-level structures and scene dynamics, contextual awareness, generalization, and understanding of geometry. The power of GAIA-1's learned representation that captures expectations of future events, combined with its ability to generate realistic samples, provides new possibilities for innovation in the field of autonomy, enabling enhanced and accelerated training of autonomous driving technology.

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.

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential to accelerate scientific discovery through automation. We also review LLM-based autonomous agents: LLMs with a broader set of tools to interact with their surrounding environment. These agents perform diverse tasks such as paper scraping, interfacing with automated laboratories, and synthesis planning. As agents are an emerging topic, we extend the scope of our review of agents beyond chemistry and discuss across any scientific domains. This review covers the recent history, current capabilities, and design of LLMs and autonomous agents, addressing specific challenges, opportunities, and future directions in chemistry. Key challenges include data quality and integration, model interpretability, and the need for standard benchmarks, while future directions point towards more sophisticated multi-modal agents and enhanced collaboration between agents and experimental methods. Due to the quick pace of this field, a repository has been built to keep track of the latest studies: https://github.com/ur-whitelab/LLMs-in-science.

Autonomous systems (AS) are systems that can adapt and change their behavior in response to unanticipated events and include systems such as aerial drones, autonomous vehicles, and ground/aquatic robots. AS require a wide array of sensors, deep-learning models, and powerful hardware platforms to perceive and safely operate in real-time. However, in many contexts, some sensing modalities negatively impact perception while increasing the system's overall energy consumption. Since AS are often energy-constrained edge devices, energy-efficient sensor fusion methods have been proposed. However, existing methods either fail to adapt to changing scenario conditions or to optimize energy efficiency system-wide. We propose CARMA: a context-aware sensor fusion approach that uses context to dynamically reconfigure the computation flow on a Field-Programmable Gate Array (FPGA) at runtime. By clock-gating unused sensors and model sub-components, CARMA significantly reduces the energy used by a multi-sensory object detector without compromising performance. We use a Deep-learning Processor Unit (DPU) based reconfiguration approach to minimize the latency of model reconfiguration. We evaluate multiple context-identification strategies, propose a novel system-wide energy-performance joint optimization, and evaluate scenario-specific perception performance. Across challenging real-world sensing contexts, CARMA outperforms state-of-the-art methods with up to 1.3x speedup and 73% lower energy consumption.

This Perspective explores the transformative potential of Multi-Agent Systems (MAS) powered by Large Language Models (LLMs) in the geosciences. Users of geoscientific data repositories face challenges due to the complexity and diversity of data formats, inconsistent metadata practices, and a considerable number of unprocessed datasets. MAS possesses transformative potential for improving scientists' interaction with geoscientific data by enabling intelligent data processing, natural language interfaces, and collaborative problem-solving capabilities. We illustrate this approach with "PANGAEA GPT", a specialized MAS pipeline integrated with the diverse PANGAEA database for Earth and Environmental Science, demonstrating how MAS-driven workflows can effectively manage complex datasets and accelerate scientific discovery. We discuss how MAS can address current data challenges in geosciences, highlight advancements in other scientific fields, and propose future directions for integrating MAS into geoscientific data processing pipelines. In this Perspective, we show how MAS can fundamentally improve data accessibility, promote cross-disciplinary collaboration, and accelerate geoscientific discoveries.

The advent of large language models (LLMs) has catalyzed a transformative shift in artificial intelligence, paving the way for advanced intelligent agents capable of sophisticated reasoning, robust perception, and versatile action across diverse domains. As these agents increasingly drive AI research and practical applications, their design, evaluation, and continuous improvement present intricate, multifaceted challenges. This survey provides a comprehensive overview, framing intelligent agents within a modular, brain-inspired architecture that integrates principles from cognitive science, neuroscience, and computational research. We structure our exploration into four interconnected parts. First, we delve into the modular foundation of intelligent agents, systematically mapping their cognitive, perceptual, and operational modules onto analogous human brain functionalities, and elucidating core components such as memory, world modeling, reward processing, and emotion-like systems. Second, we discuss self-enhancement and adaptive evolution mechanisms, exploring how agents autonomously refine their capabilities, adapt to dynamic environments, and achieve continual learning through automated optimization paradigms, including emerging AutoML and LLM-driven optimization strategies. Third, we examine collaborative and evolutionary multi-agent systems, investigating the collective intelligence emerging from agent interactions, cooperation, and societal structures, highlighting parallels to human social dynamics. Finally, we address the critical imperative of building safe, secure, and beneficial AI systems, emphasizing intrinsic and extrinsic security threats, ethical alignment, robustness, and practical mitigation strategies necessary for trustworthy real-world deployment.

While the exploration for embodied AI has spanned multiple decades, it remains a persistent challenge to endow agents with human-level intelligence, including perception, learning, reasoning, decision-making, control, and generalization capabilities, so that they can perform general-purpose tasks in open, unstructured, and dynamic environments. Recent advances in computer vision, natural language processing, and multi-modality learning have shown that the foundation models have superhuman capabilities for specific tasks. They not only provide a solid cornerstone for integrating basic modules into embodied AI systems but also shed light on how to scale up robot learning from a methodological perspective. This survey aims to provide a comprehensive and up-to-date overview of foundation models in robotics, focusing on autonomous manipulation and encompassing high-level planning and low-level control. Moreover, we showcase their commonly used datasets, simulators, and benchmarks. Importantly, we emphasize the critical challenges intrinsic to this field and delineate potential avenues for future research, contributing to advancing the frontier of academic and industrial discourse.

The rapid advancement of Generative AI has catalyzed the emergence of autonomous AI agents, presenting unprecedented challenges for enterprise computing infrastructures. Current enterprise API architectures are predominantly designed for human-driven, predefined interaction patterns, rendering them ill-equipped to support intelligent agents' dynamic, goal-oriented behaviors. This research systematically examines the architectural adaptations for enterprise APIs to support AI agentic workflows effectively. Through a comprehensive analysis of existing API design paradigms, agent interaction models, and emerging technological constraints, the paper develops a strategic framework for API transformation. The study employs a mixed-method approach, combining theoretical modeling, comparative analysis, and exploratory design principles to address critical challenges in standardization, performance, and intelligent interaction. The proposed research contributes a conceptual model for next-generation enterprise APIs that can seamlessly integrate with autonomous AI agent ecosystems, offering significant implications for future enterprise computing architectures.

Solving mechanics problems using numerical methods requires comprehensive intelligent capability of retrieving relevant knowledge and theory, constructing and executing codes, analyzing the results, a task that has thus far mainly been reserved for humans. While emerging AI methods can provide effective approaches to solve end-to-end problems, for instance via the use of deep surrogate models or various data analytics strategies, they often lack physical intuition since knowledge is baked into the parametric complement through training, offering less flexibility when it comes to incorporating mathematical or physical insights. By leveraging diverse capabilities of multiple dynamically interacting large language models (LLMs), we can overcome the limitations of conventional approaches and develop a new class of physics-inspired generative machine learning platform, here referred to as MechAgents. A set of AI agents can solve mechanics tasks, here demonstrated for elasticity problems, via autonomous collaborations. A two-agent team can effectively write, execute and self-correct code, in order to apply finite element methods to solve classical elasticity problems in various flavors (different boundary conditions, domain geometries, meshes, small/finite deformation and linear/hyper-elastic constitutive laws, and others). For more complex tasks, we construct a larger group of agents with enhanced division of labor among planning, formulating, coding, executing and criticizing the process and results. The agents mutually correct each other to improve the overall team-work performance in understanding, formulating and validating the solution. Our framework shows the potential of synergizing the intelligence of language models, the reliability of physics-based modeling, and the dynamic collaborations among diverse agents, opening novel avenues for automation of solving engineering problems.

The landscape of software development has witnessed a paradigm shift with the advent of AI-powered assistants, exemplified by GitHub Copilot. However, existing solutions are not leveraging all the potential capabilities available in an IDE such as building, testing, executing code, git operations, etc. Therefore, they are constrained by their limited capabilities, primarily focusing on suggesting code snippets and file manipulation within a chat-based interface. To fill this gap, we present AutoDev, a fully automated AI-driven software development framework, designed for autonomous planning and execution of intricate software engineering tasks. AutoDev enables users to define complex software engineering objectives, which are assigned to AutoDev's autonomous AI Agents to achieve. These AI agents can perform diverse operations on a codebase, including file editing, retrieval, build processes, execution, testing, and git operations. They also have access to files, compiler output, build and testing logs, static analysis tools, and more. This enables the AI Agents to execute tasks in a fully automated manner with a comprehensive understanding of the contextual information required. Furthermore, AutoDev establishes a secure development environment by confining all operations within Docker containers. This framework incorporates guardrails to ensure user privacy and file security, allowing users to define specific permitted or restricted commands and operations within AutoDev. In our evaluation, we tested AutoDev on the HumanEval dataset, obtaining promising results with 91.5% and 87.8% of Pass@1 for code generation and test generation respectively, demonstrating its effectiveness in automating software engineering tasks while maintaining a secure and user-controlled development environment.

Machine learning has emerged as a powerful tool for scientific discovery, enabling researchers to extract meaningful insights from complex datasets. For instance, it has facilitated the identification of disease-predictive genes from gene expression data, significantly advancing healthcare. However, the traditional process for analyzing such datasets demands substantial human effort and expertise for the data selection, processing, and analysis. To address this challenge, we introduce a novel framework, a Team of AI-made Scientists (TAIS), designed to streamline the scientific discovery pipeline. TAIS comprises simulated roles, including a project manager, data engineer, and domain expert, each represented by a Large Language Model (LLM). These roles collaborate to replicate the tasks typically performed by data scientists, with a specific focus on identifying disease-predictive genes. Furthermore, we have curated a benchmark dataset to assess TAIS's effectiveness in gene identification, demonstrating our system's potential to significantly enhance the efficiency and scope of scientific exploration. Our findings represent a solid step towards automating scientific discovery through large language models.

Autonomous edge computing in robotics, smart cities, and autonomous vehicles relies on the seamless integration of sensing, processing, and actuation for real-time decision-making in dynamic environments. At its core is the sensing-to-action loop, which iteratively aligns sensor inputs with computational models to drive adaptive control strategies. These loops can adapt to hyper-local conditions, enhancing resource efficiency and responsiveness, but also face challenges such as resource constraints, synchronization delays in multi-modal data fusion, and the risk of cascading errors in feedback loops. This article explores how proactive, context-aware sensing-to-action and action-to-sensing adaptations can enhance efficiency by dynamically adjusting sensing and computation based on task demands, such as sensing a very limited part of the environment and predicting the rest. By guiding sensing through control actions, action-to-sensing pathways can improve task relevance and resource use, but they also require robust monitoring to prevent cascading errors and maintain reliability. Multi-agent sensing-action loops further extend these capabilities through coordinated sensing and actions across distributed agents, optimizing resource use via collaboration. Additionally, neuromorphic computing, inspired by biological systems, provides an efficient framework for spike-based, event-driven processing that conserves energy, reduces latency, and supports hierarchical control--making it ideal for multi-agent optimization. This article highlights the importance of end-to-end co-design strategies that align algorithmic models with hardware and environmental dynamics and improve cross-layer interdependencies to improve throughput, precision, and adaptability for energy-efficient edge autonomy in complex environments.

The rapid progress of foundation models has led to the prosperity of autonomous agents, which leverage the universal capabilities of foundation models to conduct reasoning, decision-making, and environmental interaction. However, the efficacy of agents remains limited when operating in intricate, realistic environments. In this work, we introduce the principles of Unified Alignment for Agents (UA^2), which advocate for the simultaneous alignment of agents with human intentions, environmental dynamics, and self-constraints such as the limitation of monetary budgets. From the perspective of UA^2, we review the current agent research and highlight the neglected factors in existing agent benchmarks and method candidates. We also conduct proof-of-concept studies by introducing realistic features to WebShop, including user profiles to demonstrate intentions, personalized reranking for complex environmental dynamics, and runtime cost statistics to reflect self-constraints. We then follow the principles of UA^2 to propose an initial design of our agent, and benchmark its performance with several candidate baselines in the retrofitted WebShop. The extensive experimental results further prove the importance of the principles of UA^2. Our research sheds light on the next steps of autonomous agent research with improved general problem-solving abilities.

Robotic agents that operate autonomously in the real world need to continuously explore their environment and learn from the data collected, with minimal human supervision. While it is possible to build agents that can learn in such a manner without supervision, current methods struggle to scale to the real world. Thus, we propose ALAN, an autonomously exploring robotic agent, that can perform tasks in the real world with little training and interaction time. This is enabled by measuring environment change, which reflects object movement and ignores changes in the robot position. We use this metric directly as an environment-centric signal, and also maximize the uncertainty of predicted environment change, which provides agent-centric exploration signal. We evaluate our approach on two different real-world play kitchen settings, enabling a robot to efficiently explore and discover manipulation skills, and perform tasks specified via goal images. Website at https://robo-explorer.github.io/

Large language models (LLMs) have enabled remarkable advances in automated task-solving with multi-agent systems. However, most existing LLM-based multi-agent approaches rely on predefined agents to handle simple tasks, limiting the adaptability of multi-agent collaboration to different scenarios. Therefore, we introduce AutoAgents, an innovative framework that adaptively generates and coordinates multiple specialized agents to build an AI team according to different tasks. Specifically, AutoAgents couples the relationship between tasks and roles by dynamically generating multiple required agents based on task content and planning solutions for the current task based on the generated expert agents. Multiple specialized agents collaborate with each other to efficiently accomplish tasks. Concurrently, an observer role is incorporated into the framework to reflect on the designated plans and agents' responses and improve upon them. Our experiments on various benchmarks demonstrate that AutoAgents generates more coherent and accurate solutions than the existing multi-agent methods. This underscores the significance of assigning different roles to different tasks and of team cooperation, offering new perspectives for tackling complex tasks. The repository of this project is available at https://github.com/Link-AGI/AutoAgents.

Research on autonomous surgery has largely focused on simple task automation in controlled environments. However, real-world surgical applications demand dexterous manipulation over extended durations and generalization to the inherent variability of human tissue. These challenges remain difficult to address using existing logic-based or conventional end-to-end learning approaches. To address this gap, we propose a hierarchical framework for performing dexterous, long-horizon surgical steps. Our approach utilizes a high-level policy for task planning and a low-level policy for generating robot trajectories. The high-level planner plans in language space, generating task-level or corrective instructions that guide the robot through the long-horizon steps and correct for the low-level policy's errors. We validate our framework through ex vivo experiments on cholecystectomy, a commonly-practiced minimally invasive procedure, and conduct ablation studies to evaluate key components of the system. Our method achieves a 100\% success rate across eight unseen ex vivo gallbladders, operating fully autonomously without human intervention. This work demonstrates step-level autonomy in a surgical procedure, marking a milestone toward clinical deployment of autonomous surgical systems.

The future of software engineering--SE 3.0--is unfolding with the rise of AI teammates: autonomous, goal-driven systems collaborating with human developers. Among these, autonomous coding agents are especially transformative, now actively initiating, reviewing, and evolving code at scale. This paper introduces AIDev, the first large-scale dataset capturing how such agents operate in the wild. Spanning over 456,000 pull requests by five leading agents--OpenAI Codex, Devin, GitHub Copilot, Cursor, and Claude Code--across 61,000 repositories and 47,000 developers, AIDev provides an unprecedented empirical foundation for studying autonomous teammates in software development. Unlike prior work that has largely theorized the rise of AI-native software engineering, AIDev offers structured, open data to support research in benchmarking, agent readiness, optimization, collaboration modeling, and AI governance. The dataset includes rich metadata on PRs, authorship, review timelines, code changes, and integration outcomes--enabling exploration beyond synthetic benchmarks like SWE-bench. For instance, although agents often outperform humans in speed, their PRs are accepted less frequently, revealing a trust and utility gap. Furthermore, while agents accelerate code submission--one developer submitted as many PRs in three days as they had in three years--these are structurally simpler (via code complexity metrics). We envision AIDev as a living resource: extensible, analyzable, and ready for the SE and AI communities. Grounding SE 3.0 in real-world evidence, AIDev enables a new generation of research into AI-native workflows and supports building the next wave of symbiotic human-AI collaboration. The dataset is publicly available at https://github.com/SAILResearch/AI_Teammates_in_SE3. > AI Agent, Agentic AI, Coding Agent, Agentic Coding, Software Engineering Agent

The evolution of Artificial Intelligence (AI) has been significantly accelerated by advancements in Large Language Models (LLMs) and Large Multimodal Models (LMMs), gradually showcasing potential cognitive reasoning abilities in problem-solving and scientific discovery (i.e., AI4Science) once exclusive to human intellect. To comprehensively evaluate current models' performance in cognitive reasoning abilities, we introduce OlympicArena, which includes 11,163 bilingual problems across both text-only and interleaved text-image modalities. These challenges encompass a wide range of disciplines spanning seven fields and 62 international Olympic competitions, rigorously examined for data leakage. We argue that the challenges in Olympic competition problems are ideal for evaluating AI's cognitive reasoning due to their complexity and interdisciplinary nature, which are essential for tackling complex scientific challenges and facilitating discoveries. Beyond evaluating performance across various disciplines using answer-only criteria, we conduct detailed experiments and analyses from multiple perspectives. We delve into the models' cognitive reasoning abilities, their performance across different modalities, and their outcomes in process-level evaluations, which are vital for tasks requiring complex reasoning with lengthy solutions. Our extensive evaluations reveal that even advanced models like GPT-4o only achieve a 39.97% overall accuracy, illustrating current AI limitations in complex reasoning and multimodal integration. Through the OlympicArena, we aim to advance AI towards superintelligence, equipping it to address more complex challenges in science and beyond. We also provide a comprehensive set of resources to support AI research, including a benchmark dataset, an open-source annotation platform, a detailed evaluation tool, and a leaderboard with automatic submission features.

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.

Human-level driving is an ultimate goal of autonomous driving. Conventional approaches formulate autonomous driving as a perception-prediction-planning framework, yet their systems do not capitalize on the inherent reasoning ability and experiential knowledge of humans. In this paper, we propose a fundamental paradigm shift from current pipelines, exploiting Large Language Models (LLMs) as a cognitive agent to integrate human-like intelligence into autonomous driving systems. Our approach, termed Agent-Driver, transforms the traditional autonomous driving pipeline by introducing a versatile tool library accessible via function calls, a cognitive memory of common sense and experiential knowledge for decision-making, and a reasoning engine capable of chain-of-thought reasoning, task planning, motion planning, and self-reflection. Powered by LLMs, our Agent-Driver is endowed with intuitive common sense and robust reasoning capabilities, thus enabling a more nuanced, human-like approach to autonomous driving. We evaluate our approach on the large-scale nuScenes benchmark, and extensive experiments substantiate that our Agent-Driver significantly outperforms the state-of-the-art driving methods by a large margin. Our approach also demonstrates superior interpretability and few-shot learning ability to these methods. Code will be released.

The emergence of LLM-based agents represents a paradigm shift in AI, enabling autonomous systems to plan, reason, use tools, and maintain memory while interacting with dynamic environments. This paper provides the first comprehensive survey of evaluation methodologies for these increasingly capable agents. We systematically analyze evaluation benchmarks and frameworks across four critical dimensions: (1) fundamental agent capabilities, including planning, tool use, self-reflection, and memory; (2) application-specific benchmarks for web, software engineering, scientific, and conversational agents; (3) benchmarks for generalist agents; and (4) frameworks for evaluating agents. Our analysis reveals emerging trends, including a shift toward more realistic, challenging evaluations with continuously updated benchmarks. We also identify critical gaps that future research must address-particularly in assessing cost-efficiency, safety, and robustness, and in developing fine-grained, and scalable evaluation methods. This survey maps the rapidly evolving landscape of agent evaluation, reveals the emerging trends in the field, identifies current limitations, and proposes directions for future research.

This technical brief introduces Deep Agent, an advanced autonomous AI system designed to manage complex multi-phase tasks through a novel hierarchical task management architecture. The system's foundation is built on our Hierarchical Task DAG (HTDAG) framework, which dynamically decomposes high-level objectives into manageable sub-tasks while rigorously maintaining dependencies and execution coherence. Deep Agent advances beyond traditional agent systems through three key innovations: First, it implements a recursive two-stage planner-executor architecture that enables continuous task refinement and adaptation as circumstances change. Second, it features an Autonomous API & Tool Creation (AATC) system that automatically generates reusable components from UI interactions, substantially reducing operational costs for similar tasks. Third, it incorporates Prompt Tweaking Engine and Autonomous Prompt Feedback Learning components that optimize Large Language Model prompts for specific scenarios, enhancing both inference accuracy and operational stability. These components are integrated to form a service infrastructure that manages user contexts, handles complex task dependencies, and orchestrates end-to-end agentic workflow execution. Through this sophisticated architecture, Deep Agent establishes a novel paradigm in self-governing AI systems, demonstrating robust capability to independently handle intricate, multi-step tasks while maintaining consistent efficiency and reliability through continuous self-optimization.

Foundation models that incorporate language, vision, and more recently actions have revolutionized the ability to harness internet scale data to reason about useful tasks. However, one of the key challenges of training embodied foundation models is the lack of data grounded in the physical world. In this paper, we propose AutoRT, a system that leverages existing foundation models to scale up the deployment of operational robots in completely unseen scenarios with minimal human supervision. AutoRT leverages vision-language models (VLMs) for scene understanding and grounding, and further uses large language models (LLMs) for proposing diverse and novel instructions to be performed by a fleet of robots. Guiding data collection by tapping into the knowledge of foundation models enables AutoRT to effectively reason about autonomy tradeoffs and safety while significantly scaling up data collection for robot learning. We demonstrate AutoRT proposing instructions to over 20 robots across multiple buildings and collecting 77k real robot episodes via both teleoperation and autonomous robot policies. We experimentally show that such "in-the-wild" data collected by AutoRT is significantly more diverse, and that AutoRT's use of LLMs allows for instruction following data collection robots that can align to human preferences.

Recent advances in large language models (LLMs) have enabled the development of AI agents that exhibit increasingly human-like behaviors, including planning, adaptation, and social dynamics across diverse, interactive, and open-ended scenarios. These behaviors are not solely the product of the internal architectures of the underlying models, but emerge from their integration into agentic systems operating within specific contexts, where environmental factors, social cues, and interaction feedbacks shape behavior over time. This evolution necessitates a new scientific perspective: AI Agent Behavioral Science. Rather than focusing only on internal mechanisms, this perspective emphasizes the systematic observation of behavior, design of interventions to test hypotheses, and theory-guided interpretation of how AI agents act, adapt, and interact over time. We systematize a growing body of research across individual agent, multi-agent, and human-agent interaction settings, and further demonstrate how this perspective informs responsible AI by treating fairness, safety, interpretability, accountability, and privacy as behavioral properties. By unifying recent findings and laying out future directions, we position AI Agent Behavioral Science as a necessary complement to traditional model-centric approaches, providing essential tools for understanding, evaluating, and governing the real-world behavior of increasingly autonomous AI systems.

Research is a fundamental process driving the advancement of human civilization, yet it demands substantial time and effort from researchers. In recent years, the rapid development of artificial intelligence (AI) technologies has inspired researchers to explore how AI can accelerate and enhance research. To monitor relevant advancements, this paper presents a systematic review of the progress in this domain. Specifically, we organize the relevant studies into three main categories: hypothesis formulation, hypothesis validation, and manuscript publication. Hypothesis formulation involves knowledge synthesis and hypothesis generation. Hypothesis validation includes the verification of scientific claims, theorem proving, and experiment validation. Manuscript publication encompasses manuscript writing and the peer review process. Furthermore, we identify and discuss the current challenges faced in these areas, as well as potential future directions for research. Finally, we also offer a comprehensive overview of existing benchmarks and tools across various domains that support the integration of AI into the research process. We hope this paper serves as an introduction for beginners and fosters future research. Resources have been made publicly available at https://github.com/zkzhou126/AI-for-Research.

Neural Networks (NNs) trained through supervised learning struggle with managing edge-case scenarios common in real-world driving due to the intractability of exhaustive datasets covering all edge-cases, making knowledge-driven approaches, akin to how humans intuitively detect unexpected driving behavior, a suitable complement to data-driven methods. This work proposes a hybrid architecture combining low-level Model Predictive Controller (MPC) with locally deployed Large Language Models (LLMs) to enhance decision-making and Human Machine Interaction (HMI). The DecisionxLLM module evaluates robotic state information against natural language instructions to ensure adherence to desired driving behavior. The MPCxLLM module then adjusts MPC parameters based on LLM-generated insights, achieving control adaptability while preserving the safety and constraint guarantees of traditional MPC systems. Further, to enable efficient on-board deployment and to eliminate dependency on cloud connectivity, we shift processing to the on-board computing platform: We propose an approach that exploits Retrieval Augmented Generation (RAG), Low Rank Adaptation (LoRA) fine-tuning, and quantization. Experimental results demonstrate that these enhancements yield significant improvements in reasoning accuracy by up to 10.45%, control adaptability by as much as 52.2%, and up to 10.5x increase in computational efficiency (tokens/s), validating the proposed framework's practicality for real-time deployment even on down-scaled robotic platforms. This work bridges high-level decision-making with low-level control adaptability, offering a synergistic framework for knowledge-driven and adaptive Autonomous Driving Systems (ADS).

The Game of Life (Life), a well known algorithm within the broader class of cellular automata (CA), exhibits complex emergent dynamics, with extreme sensitivity to initial conditions. Modeling and predicting such intricate behavior without explicit knowledge of the system's underlying topology presents a significant challenge, motivating the development of algorithms that can generalize across various grid configurations and boundary conditions. We develop a decoder-only generative pretrained transformer model to solve this problem, showing that our model can simulate Life on a toroidal grid with no prior knowledge on the size of the grid, or its periodic boundary conditions (LifeGPT). LifeGPT is topology-agnostic with respect to its training data and our results show that a GPT model is capable of capturing the deterministic rules of a Turing-complete system with near-perfect accuracy, given sufficiently diverse training data. We also introduce the idea of an `autoregressive autoregressor' to recursively implement Life using LifeGPT. Our results pave the path towards true universal computation within a large language model (LLM) framework, synthesizing of mathematical analysis with natural language processing, and probing AI systems for situational awareness about the evolution of such algorithms without ever having to compute them. Similar GPTs could potentially solve inverse problems in multicellular self-assembly by extracting CA-compatible rulesets from real-world biological systems to create new predictive models, which would have significant consequences for the fields of bioinspired materials, tissue engineering, and architected materials design.

The rapid advancement in capabilities of large language models (LLMs) raises a pivotal question: How can LLMs accelerate scientific discovery? This work tackles the crucial first stage of research, generating novel hypotheses. While recent work on automated hypothesis generation focuses on multi-agent frameworks and extending test-time compute, none of the approaches effectively incorporate transparency and steerability through a synergistic Human-in-the-loop (HITL) approach. To address this gap, we introduce IRIS: Interactive Research Ideation System, an open-source platform designed for researchers to leverage LLM-assisted scientific ideation. IRIS incorporates innovative features to enhance ideation, including adaptive test-time compute expansion via Monte Carlo Tree Search (MCTS), fine-grained feedback mechanism, and query-based literature synthesis. Designed to empower researchers with greater control and insight throughout the ideation process. We additionally conduct a user study with researchers across diverse disciplines, validating the effectiveness of our system in enhancing ideation. We open-source our code at https://github.com/Anikethh/IRIS-Interactive-Research-Ideation-System

Constructing real-world data-to-insight pipelines often involves data extraction from data lakes, data integration across heterogeneous data sources, and diverse operations from data cleaning to analysis. The design and implementation of data science pipelines require domain knowledge, technical expertise, and even project-specific insights. AI systems have shown remarkable reasoning, coding, and understanding capabilities. However, it remains unclear to what extent these capabilities translate into successful design and execution of such complex pipelines. We introduce KRAMABENCH: a benchmark composed of 104 manually-curated real-world data science pipelines spanning 1700 data files from 24 data sources in 6 different domains. We show that these pipelines test the end-to-end capabilities of AI systems on data processing, requiring data discovery, wrangling and cleaning, efficient processing, statistical reasoning, and orchestrating data processing steps given a high-level task. Our evaluation tests 5 general models and 3 code generation models using our reference framework, DS-GURU, which instructs the AI model to decompose a question into a sequence of subtasks, reason through each step, and synthesize Python code that implements the proposed design. Our results on KRAMABENCH show that, although the models are sufficiently capable of solving well-specified data science code generation tasks, when extensive data processing and domain knowledge are required to construct real-world data science pipelines, existing out-of-box models fall short. Progress on KramaBench represents crucial steps towards developing autonomous data science agents for real-world applications. Our code, reference framework, and data are available at https://github.com/mitdbg/KramaBench.

Language agents have achieved considerable performance on various complex tasks. Despite the incessant exploration in this field, existing language agent systems still struggle with costly, non-reproducible data reliance and face the challenge of compelling a single model for multiple functions. To this end, we introduce AutoAct, an automatic agent learning framework that does not rely on large-scale annotated data and synthetic trajectories from closed-source models (e.g., GPT-4). Given limited data with a tool library, AutoAct first automatically synthesizes planning trajectories without any assistance from humans or strong closed-source models. Then, AutoAct leverages a division-of-labor strategy to automatically differentiate based on the target task information and synthesized trajectories, producing a sub-agent group to complete the task. We conduct comprehensive experiments with different LLMs, which demonstrates that AutoAct yields better or parallel performance compared to various strong baselines. We even notice that AutoAct, when using the Llama-2-13b model, can achieve performance comparable to that of the GPT-3.5-Turbo agent. Code will be available at https://github.com/zjunlp/AutoAct.

We introduce Agent K v1.0, an end-to-end autonomous data science agent designed to automate, optimise, and generalise across diverse data science tasks. Fully automated, Agent K v1.0 manages the entire data science life cycle by learning from experience. It leverages a highly flexible structured reasoning framework to enable it to dynamically process memory in a nested structure, effectively learning from accumulated experience stored to handle complex reasoning tasks. It optimises long- and short-term memory by selectively storing and retrieving key information, guiding future decisions based on environmental rewards. This iterative approach allows it to refine decisions without fine-tuning or backpropagation, achieving continuous improvement through experiential learning. We evaluate our agent's apabilities using Kaggle competitions as a case study. Following a fully automated protocol, Agent K v1.0 systematically addresses complex and multimodal data science tasks, employing Bayesian optimisation for hyperparameter tuning and feature engineering. Our new evaluation framework rigorously assesses Agent K v1.0's end-to-end capabilities to generate and send submissions starting from a Kaggle competition URL. Results demonstrate that Agent K v1.0 achieves a 92.5\% success rate across tasks, spanning tabular, computer vision, NLP, and multimodal domains. When benchmarking against 5,856 human Kaggle competitors by calculating Elo-MMR scores for each, Agent K v1.0 ranks in the top 38\%, demonstrating an overall skill level comparable to Expert-level users. Notably, its Elo-MMR score falls between the first and third quartiles of scores achieved by human Grandmasters. Furthermore, our results indicate that Agent K v1.0 has reached a performance level equivalent to Kaggle Grandmaster, with a record of 6 gold, 3 silver, and 7 bronze medals, as defined by Kaggle's progression system.

Autonomous planning has been an ongoing pursuit since the inception of artificial intelligence. Based on curated problem solvers, early planning agents could deliver precise solutions for specific tasks but lacked generalization. The emergence of large language models (LLMs) and their powerful reasoning capabilities has reignited interest in autonomous planning by automatically generating reasonable solutions for given tasks. However, prior research and our experiments show that current language agents still lack human-level planning abilities. Even the state-of-the-art reasoning model, OpenAI o1, achieves only 15.6% on one of the complex real-world planning benchmarks. This highlights a critical question: What hinders language agents from achieving human-level planning? Although existing studies have highlighted weak performance in agent planning, the deeper underlying issues and the mechanisms and limitations of the strategies proposed to address them remain insufficiently understood. In this work, we apply the feature attribution study and identify two key factors that hinder agent planning: the limited role of constraints and the diminishing influence of questions. We also find that although current strategies help mitigate these challenges, they do not fully resolve them, indicating that agents still have a long way to go before reaching human-level intelligence.

Agentic Artificial Intelligence (AI) builds upon Generative AI (GenAI). It constitutes the next major step in the evolution of AI with much stronger reasoning and interaction capabilities that enable more autonomous behavior to tackle complex tasks. Since the initial release of ChatGPT (3.5), Generative AI has seen widespread adoption, giving users firsthand experience. However, the distinction between Agentic AI and GenAI remains less well understood. To address this gap, our survey is structured in two parts. In the first part, we compare GenAI and Agentic AI using existing literature, discussing their key characteristics, how Agentic AI remedies limitations of GenAI, and the major steps in GenAI's evolution toward Agentic AI. This section is intended for a broad audience, including academics in both social sciences and engineering, as well as industry professionals. It provides the necessary insights to comprehend novel applications that are possible with Agentic AI but not with GenAI. In the second part, we deep dive into novel aspects of Agentic AI, including recent developments and practical concerns such as defining agents. Finally, we discuss several challenges that could serve as a future research agenda, while cautioning against risks that can emerge when exceeding human intelligence.

Although pre-trained language models encode generic knowledge beneficial for planning and control, they may fail to generate appropriate control policies for domain-specific tasks. Existing fine-tuning methods use human feedback to address this limitation, however, sourcing human feedback is labor intensive and costly. We present a fully automated approach to fine-tune pre-trained language models for applications in autonomous systems, bridging the gap between generic knowledge and domain-specific requirements while reducing cost. The method synthesizes automaton-based controllers from pre-trained models guided by natural language task descriptions. These controllers are verifiable against independently provided specifications within a world model, which can be abstract or obtained from a high-fidelity simulator. Controllers with high compliance with the desired specifications receive higher ranks, guiding the iterative fine-tuning process. We provide quantitative evidences, primarily in autonomous driving, to demonstrate the method's effectiveness across multiple tasks. The results indicate an improvement in percentage of specifications satisfied by the controller from 60% to 90%.

Recent advances in large language models (LLMs) have sparked growing interest in building fully autonomous agents. However, fully autonomous LLM-based agents still face significant challenges, including limited reliability due to hallucinations, difficulty in handling complex tasks, and substantial safety and ethical risks, all of which limit their feasibility and trustworthiness in real-world applications. To overcome these limitations, LLM-based human-agent systems (LLM-HAS) incorporate human-provided information, feedback, or control into the agent system to enhance system performance, reliability and safety. This paper provides the first comprehensive and structured survey of LLM-HAS. It clarifies fundamental concepts, systematically presents core components shaping these systems, including environment & profiling, human feedback, interaction types, orchestration and communication, explores emerging applications, and discusses unique challenges and opportunities. By consolidating current knowledge and offering a structured overview, we aim to foster further research and innovation in this rapidly evolving interdisciplinary field. Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-LLM-Based-Human-Agent-Systems.

Leveraging large language models (LLMs), autonomous agents have significantly improved, gaining the ability to handle a variety of tasks. In open-ended settings, optimizing collaboration for efficiency and effectiveness demands flexible adjustments. Despite this, current research mainly emphasizes fixed, task-oriented workflows and overlooks agent-centric organizational structures. Drawing inspiration from human organizational behavior, we introduce a self-organizing agent system (S-Agents) with a "tree of agents" structure for dynamic workflow, an "hourglass agent architecture" for balancing information priorities, and a "non-obstructive collaboration" method to allow asynchronous task execution among agents. This structure can autonomously coordinate a group of agents, efficiently addressing the challenges of an open and dynamic environment without human intervention. Our experiments demonstrate that S-Agents proficiently execute collaborative building tasks and resource collection in the Minecraft environment, validating their effectiveness.

Autonomous agents powered by language models (LMs) have demonstrated promise in their ability to perform decision-making tasks such as web automation. However, a key limitation remains: LMs, primarily optimized for natural language understanding and generation, struggle with multi-step reasoning, planning, and using environmental feedback when attempting to solve realistic computer tasks. Towards addressing this, we propose an inference-time search algorithm for LM agents to explicitly perform exploration and multi-step planning in interactive web environments. Our approach is a form of best-first tree search that operates within the actual environment space, and is complementary with most existing state-of-the-art agents. It is the first tree search algorithm for LM agents that shows effectiveness on realistic web tasks. On the challenging VisualWebArena benchmark, applying our search algorithm on top of a GPT-4o agent yields a 39.7% relative increase in success rate compared to the same baseline without search, setting a state-of-the-art success rate of 26.4%. On WebArena, search also yields a 28.0% relative improvement over a baseline agent, setting a competitive success rate of 19.2%. Our experiments highlight the effectiveness of search for web agents, and we demonstrate that performance scales with increased test-time compute. We conduct a thorough analysis of our results to highlight improvements from search, limitations, and promising directions for future work. Our code and models are publicly released at https://jykoh.com/search-agents.

We propose a framework for classifying the capabilities and behavior of Artificial General Intelligence (AGI) models and their precursors. This framework introduces levels of AGI performance, generality, and autonomy, providing a common language to compare models, assess risks, and measure progress along the path to AGI. To develop our framework, we analyze existing definitions of AGI, and distill six principles that a useful ontology for AGI should satisfy. With these principles in mind, we propose "Levels of AGI" based on depth (performance) and breadth (generality) of capabilities, and reflect on how current systems fit into this ontology. We discuss the challenging requirements for future benchmarks that quantify the behavior and capabilities of AGI models against these levels. Finally, we discuss how these levels of AGI interact with deployment considerations such as autonomy and risk, and emphasize the importance of carefully selecting Human-AI Interaction paradigms for responsible and safe deployment of highly capable AI systems.

Scientific experimentation, a cornerstone of human progress, demands rigor in reliability, methodical control, and interpretability to yield meaningful results. Despite the growing capabilities of large language models (LLMs) in automating different aspects of the scientific process, automating rigorous experimentation remains a significant challenge. To address this gap, we propose Curie, an AI agent framework designed to embed rigor into the experimentation process through three key components: an intra-agent rigor module to enhance reliability, an inter-agent rigor module to maintain methodical control, and an experiment knowledge module to enhance interpretability. To evaluate Curie, we design a novel experimental benchmark composed of 46 questions across four computer science domains, derived from influential research papers, and widely adopted open-source projects. Compared to the strongest baseline tested, we achieve a 3.4times improvement in correctly answering experimental questions.Curie is open-sourced at https://github.com/Just-Curieous/Curie.

Recent advancements in large foundation models have remarkably enhanced our understanding of sensory information in open-world environments. In leveraging the power of foundation models, it is crucial for AI research to pivot away from excessive reductionism and toward an emphasis on systems that function as cohesive wholes. Specifically, we emphasize developing Agent AI -- an embodied system that integrates large foundation models into agent actions. The emerging field of Agent AI spans a wide range of existing embodied and agent-based multimodal interactions, including robotics, gaming, and healthcare systems, etc. In this paper, we propose a novel large action model to achieve embodied intelligent behavior, the Agent Foundation Model. On top of this idea, we discuss how agent AI exhibits remarkable capabilities across a variety of domains and tasks, challenging our understanding of learning and cognition. Furthermore, we discuss the potential of Agent AI from an interdisciplinary perspective, underscoring AI cognition and consciousness within scientific discourse. We believe that those discussions serve as a basis for future research directions and encourage broader societal engagement.

Large Language Models (LLMs) have demonstrated strong capabilities but remain fundamentally static, unable to adapt their internal parameters to novel tasks, evolving knowledge domains, or dynamic interaction contexts. As LLMs are increasingly deployed in open-ended, interactive environments, this static nature has become a critical bottleneck, necessitating agents that can adaptively reason, act, and evolve in real time. This paradigm shift -- from scaling static models to developing self-evolving agents -- has sparked growing interest in architectures and methods enabling continual learning and adaptation from data, interactions, and experiences. This survey provides the first systematic and comprehensive review of self-evolving agents, organized around three foundational dimensions -- what to evolve, when to evolve, and how to evolve. We examine evolutionary mechanisms across agent components (e.g., models, memory, tools, architecture), categorize adaptation methods by stages (e.g., intra-test-time, inter-test-time), and analyze the algorithmic and architectural designs that guide evolutionary adaptation (e.g., scalar rewards, textual feedback, single-agent and multi-agent systems). Additionally, we analyze evaluation metrics and benchmarks tailored for self-evolving agents, highlight applications in domains such as coding, education, and healthcare, and identify critical challenges and research directions in safety, scalability, and co-evolutionary dynamics. By providing a structured framework for understanding and designing self-evolving agents, this survey establishes a roadmap for advancing adaptive agentic systems in both research and real-world deployments, ultimately shedding lights to pave the way for the realization of Artificial Super Intelligence (ASI), where agents evolve autonomously, performing at or beyond human-level intelligence across a wide array of tasks.

Autonomous systems, such as self-driving cars and drones, have made significant strides in recent years by leveraging visual inputs and machine learning for decision-making and control. Despite their impressive performance, these vision-based controllers can make erroneous predictions when faced with novel or out-of-distribution inputs. Such errors can cascade into catastrophic system failures and compromise system safety. In this work, we compute Neural Reachable Tubes, which act as parameterized approximations of Backward Reachable Tubes to stress-test the vision-based controllers and mine their failure modes. The identified failures are then used to enhance the system safety through both offline and online methods. The online approach involves training a classifier as a run-time failure monitor to detect closed-loop, system-level failures, subsequently triggering a fallback controller that robustly handles these detected failures to preserve system safety. For the offline approach, we improve the original controller via incremental training using a carefully augmented failure dataset, resulting in a more robust controller that is resistant to the known failure modes. In either approach, the system is safeguarded against shortcomings that transcend the vision-based controller and pertain to the closed-loop safety of the overall system. We validate the proposed approaches on an autonomous aircraft taxiing task that involves using a vision-based controller to guide the aircraft towards the centerline of the runway. Our results show the efficacy of the proposed algorithms in identifying and handling system-level failures, outperforming methods that rely on controller prediction error or uncertainty quantification for identifying system failures.

Deep learning (DL) has proven to be a highly effective approach for developing models in diverse contexts, including visual perception, speech recognition, and machine translation. However, the end-to-end process for applying DL is not trivial. It requires grappling with problem formulation and context understanding, data engineering, model development, deployment, continuous monitoring and maintenance, and so on. Moreover, each of these steps typically relies heavily on humans, in terms of both knowledge and interactions, which impedes the further advancement and democratization of DL. Consequently, in response to these issues, a new field has emerged over the last few years: automated deep learning (AutoDL). This endeavor seeks to minimize the need for human involvement and is best known for its achievements in neural architecture search (NAS), a topic that has been the focus of several surveys. That stated, NAS is not the be-all and end-all of AutoDL. Accordingly, this review adopts an overarching perspective, examining research efforts into automation across the entirety of an archetypal DL workflow. In so doing, this work also proposes a comprehensive set of ten criteria by which to assess existing work in both individual publications and broader research areas. These criteria are: novelty, solution quality, efficiency, stability, interpretability, reproducibility, engineering quality, scalability, generalizability, and eco-friendliness. Thus, ultimately, this review provides an evaluative overview of AutoDL in the early 2020s, identifying where future opportunities for progress may exist.

Multi-agent AI systems powered by large language models (LLMs) are increasingly applied to solve complex tasks. However, these systems often rely on fragile, manually designed prompts and heuristics, making optimization difficult. A key challenge in optimizing multi-agent systems is acquiring suitable training data for specialized agents. We introduce SiriuS, a self-improving, reasoning-driven optimization framework for multi-agent systems. Central to our approach is the construction of an experience library: a repository of high-quality reasoning trajectories. The library is built by retaining reasoning steps that lead to successful outcomes, providing a robust training set for optimizing multi-agent system. Additionally, we introduce a library augmentation procedure that refines unsuccessful trajectories, further enriching the library. SiriuS boosts performance by 2.86\% to 21.88\% on reasoning and biomedical QA and enhances agent negotiation in competitive settings. Our results show that SiriuS enhances multi-agent performance while generating reusable data for self-correction and self-play enhancement in the future.

Multi-agent systems (MAS) utilizing multiple Large Language Model agents with Retrieval Augmented Generation and that can execute code locally may become beneficial in cosmological data analysis. Here, we illustrate a first small step towards AI-assisted analyses and a glimpse of the potential of MAS to automate and optimize scientific workflows in Cosmology. The system architecture of our example package, that builds upon the autogen/ag2 framework, can be applied to MAS in any area of quantitative scientific research. The particular task we apply our methods to is the cosmological parameter analysis of the Atacama Cosmology Telescope lensing power spectrum likelihood using Monte Carlo Markov Chains. Our work-in-progress code is open source and available at https://github.com/CMBAgents/cmbagent.

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.

This article conducts a literature review of current and future challenges in the use of artificial intelligence (AI) in cyber physical systems. The literature review is focused on identifying a conceptual framework for increasing resilience with AI through automation supporting both, a technical and human level. The methodology applied resembled a literature review and taxonomic analysis of complex internet of things (IoT) interconnected and coupled cyber physical systems. There is an increased attention on propositions on models, infrastructures and frameworks of IoT in both academic and technical papers. These reports and publications frequently represent a juxtaposition of other related systems and technologies (e.g. Industrial Internet of Things, Cyber Physical Systems, Industry 4.0 etc.). We review academic and industry papers published between 2010 and 2020. The results determine a new hierarchical cascading conceptual framework for analysing the evolution of AI decision-making in cyber physical systems. We argue that such evolution is inevitable and autonomous because of the increased integration of connected devices (IoT) in cyber physical systems. To support this argument, taxonomic methodology is adapted and applied for transparency and justifications of concepts selection decisions through building summary maps that are applied for designing the hierarchical cascading conceptual framework.

Recent advances in large-scale machine learning have produced high-capacity foundation models capable of adapting to a broad array of downstream tasks. While such models hold great promise for robotics, the prevailing paradigm still portrays robots as single, autonomous decision-makers, performing tasks like manipulation and navigation, with limited human involvement. However, a large class of real-world robotic systems, including wearable robotics (e.g., prostheses, orthoses, exoskeletons), teleoperation, and neural interfaces, are semiautonomous, and require ongoing interactive coordination with human partners, challenging single-agent assumptions. In this position paper, we argue that robot foundation models must evolve to an interactive multi-agent perspective in order to handle the complexities of real-time human-robot co-adaptation. We propose a generalizable, neuroscience-inspired architecture encompassing four modules: (1) a multimodal sensing module informed by sensorimotor integration principles, (2) an ad-hoc teamwork model reminiscent of joint-action frameworks in cognitive science, (3) a predictive world belief model grounded in internal model theories of motor control, and (4) a memory/feedback mechanism that echoes concepts of Hebbian and reinforcement-based plasticity. Although illustrated through the lens of cyborg systems, where wearable devices and human physiology are inseparably intertwined, the proposed framework is broadly applicable to robots operating in semi-autonomous or interactive contexts. By moving beyond single-agent designs, our position emphasizes how foundation models in robotics can achieve a more robust, personalized, and anticipatory level of performance.

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.

Autonomous user interface (UI) agents aim to facilitate task automation by interacting with the user interface without manual intervention. Recent studies have investigated eliciting the capabilities of large language models (LLMs) for effective engagement in diverse environments. To align with the input-output requirement of LLMs, existing approaches are developed under a sandbox setting where they rely on external tools and application-specific APIs to parse the environment into textual elements and interpret the predicted actions. Consequently, those approaches often grapple with inference inefficiency and error propagation risks. To mitigate the challenges, we introduce Auto-UI, a multimodal solution that directly interacts with the interface, bypassing the need for environment parsing or reliance on application-dependent APIs. Moreover, we propose a chain-of-action technique -- leveraging a series of intermediate previous action histories and future action plans -- to help the agent decide what action to execute. We evaluate our approach on a new device-control benchmark AITW with 30K unique instructions, spanning multi-step tasks such as application operation, web searching, and web shopping. Experimental results show that Auto-UI achieves state-of-the-art performance with an action type prediction accuracy of 90% and an overall action success rate of 74%. Code is publicly available at https://github.com/cooelf/Auto-UI.

This paper introduces a pioneering approach to artificial intelligence research, embodied in our O1 Replication Journey. In response to the announcement of OpenAI's groundbreaking O1 model, we embark on a transparent, real-time exploration to replicate its capabilities while reimagining the process of conducting and communicating AI research. Our methodology addresses critical challenges in modern AI research, including the insularity of prolonged team-based projects, delayed information sharing, and the lack of recognition for diverse contributions. By providing comprehensive, real-time documentation of our replication efforts, including both successes and failures, we aim to foster open science, accelerate collective advancement, and lay the groundwork for AI-driven scientific discovery. Our research progress report diverges significantly from traditional research papers, offering continuous updates, full process transparency, and active community engagement throughout the research journey. Technologically, we proposed the journey learning paradigm, which encourages models to learn not just shortcuts, but the complete exploration process, including trial and error, reflection, and backtracking. With only 327 training samples and without any additional tricks, journey learning outperformed conventional supervised learning by over 8\% on the MATH dataset, demonstrating its extremely powerful potential. We believe this to be the most crucial component of O1 technology that we have successfully decoded. We share valuable resources including technical hypotheses and insights, cognitive exploration maps, custom-developed tools, etc at https://github.com/GAIR-NLP/O1-Journey.

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

Complex chemical space and limited knowledge scope with biases holds immense challenge for human scientists, yet in automated materials discovery. Existing intelligent methods relies more on numerical computation, leading to inefficient exploration and results with hard-interpretability. To bridge this gap, we introduce a principles-guided material discovery system powered by language inferential multi-agent system (MAS), namely PriM. Our framework integrates automated hypothesis generation with experimental validation in a roundtable system of MAS, enabling systematic exploration while maintaining scientific rigor. Based on our framework, the case study of nano helix demonstrates higher materials exploration rate and property value while providing transparent reasoning pathways. This approach develops an automated-and-transparent paradigm for material discovery, with broad implications for rational design of functional materials. Code is publicly available at our https://github.com/amair-lab/PriM{GitHub}.

Modern science emerged from reasoning over repeatedly-observed planetary motions. We present Gravity-Bench-v1, an environment-based benchmark that challenges AI agents on tasks that parallel this historical development. Gravity-Bench-v1 evaluates agents on the discovery of physics concealed within a dynamic environment, using rigorous gravitational dynamics simulations. Gravity-Bench includes out-of-distribution cases, i.e. with physics that deviates from the real world, to evaluate true scientific generalization capabilities. Agents must plan to collect data within an experimental budget and must perform a dynamic form of data analysis and reasoning to solve tasks efficiently. Our benchmark admits an open-ended space of solutions. PhD-level solutions for each task are provided, to calibrate AI performance against human expertise. Technically at an upper-undergraduate level, our benchmark proves challenging to baseline AI agents. Gravity-Bench-v1 and planned extensions should help map out AI progress towards scientific discovery capabilities.

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and rich resource of such data. However, manual dataset creation from these resources is challenging due to issues in maintaining quality and consistency, scalability limitations, and the risk of human error and bias. Therefore, in this work, we develop a chemist AI agent, powered by large language models (LLMs), to overcome these challenges by autonomously creating structured datasets from natural language text, ranging from sentences and paragraphs to extensive scientific research articles. Our chemist AI agent, Eunomia, can plan and execute actions by leveraging the existing knowledge from decades of scientific research articles, scientists, the Internet and other tools altogether. We benchmark the performance of our approach in three different information extraction tasks with various levels of complexity, including solid-state impurity doping, metal-organic framework (MOF) chemical formula, and property relations. Our results demonstrate that our zero-shot agent, with the appropriate tools, is capable of attaining performance that is either superior or comparable to the state-of-the-art fine-tuned materials information extraction methods. This approach simplifies compilation of machine learning-ready datasets for various materials discovery applications, and significantly ease the accessibility of advanced natural language processing tools for novice users in natural language. The methodology in this work is developed as an open-source software on https://github.com/AI4ChemS/Eunomia.

This position paper argues that the image processing community should broaden its focus from purely model-centric development to include agentic system design as an essential complementary paradigm. While deep learning has significantly advanced capabilities for specific image processing tasks, current approaches face critical limitations in generalization, adaptability, and real-world problem-solving flexibility. We propose that developing intelligent agentic systems, capable of dynamically selecting, combining, and optimizing existing image processing tools, represents the next evolutionary step for the field. Such systems would emulate human experts' ability to strategically orchestrate different tools to solve complex problems, overcoming the brittleness of monolithic models. The paper analyzes key limitations of model-centric paradigms, establishes design principles for agentic image processing systems, and outlines different capability levels for such agents.

The integration of Large Language Models (LLMs) and knowledge graphs (KGs) has achieved remarkable success in various natural language processing tasks. However, existing methodologies that integrate LLMs and KGs often navigate the task-solving process solely based on the LLM's analysis of the question, overlooking the rich cognitive potential inherent in the vast knowledge encapsulated in KGs. To address this, we introduce Observation-Driven Agent (ODA), a novel AI agent framework tailored for tasks involving KGs. ODA incorporates KG reasoning abilities via global observation that enhances reasoning capabilities through a cyclical paradigm of observation, action, and reflection. Confronting the exponential explosion of knowledge during observation, we innovatively design a recursive observation mechanism. Subsequently, we integrate the observed knowledge into the action and reflection modules. Through extensive experiments, ODA demonstrates state-of-the-art performance on several datasets, notably achieving accuracy improvements of 12.87% and 8.9%.

Artificial intelligence commonly refers to the science and engineering of artificial systems that can carry out tasks generally associated with requiring aspects of human intelligence, such as playing games, translating languages, and driving cars. In recent years, there have been exciting advances in learning-based, data-driven approaches towards AI, and machine learning and deep learning have enabled computer systems to perceive the world in unprecedented ways. Reinforcement learning has enabled breakthroughs in complex games such as Go and challenging robotics tasks such as quadrupedal locomotion. A key aspect of intelligence is to not only make predictions, but reason about the uncertainty in these predictions, and to consider this uncertainty when making decisions. This is what this manuscript on "Probabilistic Artificial Intelligence" is about. The first part covers probabilistic approaches to machine learning. We discuss the differentiation between "epistemic" uncertainty due to lack of data and "aleatoric" uncertainty, which is irreducible and stems, e.g., from noisy observations and outcomes. We discuss concrete approaches towards probabilistic inference and modern approaches to efficient approximate inference. The second part of the manuscript is about taking uncertainty into account in sequential decision tasks. We consider active learning and Bayesian optimization -- approaches that collect data by proposing experiments that are informative for reducing the epistemic uncertainty. We then consider reinforcement learning and modern deep RL approaches that use neural network function approximation. We close by discussing modern approaches in model-based RL, which harness epistemic and aleatoric uncertainty to guide exploration, while also reasoning about safety.

Large language models (LLMs) like GPTs, trained on vast datasets, have demonstrated impressive capabilities in language understanding, reasoning, and planning, achieving human-level performance in various tasks. Most studies focus on enhancing these models by training on ever-larger datasets to build more powerful foundation models. While training stronger models is important, enabling models to evolve during inference is equally crucial, a process we refer to as AI self-evolution. Unlike large-scale training, self-evolution may rely on limited data or interactions. Inspired by the columnar organization of the human cerebral cortex, we hypothesize that AI models could develop cognitive abilities and build internal representations through iterative interactions with their environment. To achieve this, models need long-term memory (LTM) to store and manage processed interaction data. LTM supports self-evolution by representing diverse experiences across environments and agents. In this report, we explore AI self-evolution and its potential to enhance models during inference. We examine LTM's role in lifelong learning, allowing models to evolve based on accumulated interactions. We outline the structure of LTM and the systems needed for effective data retention and representation. We also classify approaches for building personalized models with LTM data and show how these models achieve self-evolution through interaction. Using LTM, our multi-agent framework OMNE achieved first place on the GAIA benchmark, demonstrating LTM's potential for AI self-evolution. Finally, we present a roadmap for future research, emphasizing the importance of LTM for advancing AI technology and its practical applications.

In this paper, we introduce the AI Search Paradigm, a comprehensive blueprint for next-generation search systems capable of emulating human information processing and decision-making. The paradigm employs a modular architecture of four LLM-powered agents (Master, Planner, Executor and Writer) that dynamically adapt to the full spectrum of information needs, from simple factual queries to complex multi-stage reasoning tasks. These agents collaborate dynamically through coordinated workflows to evaluate query complexity, decompose problems into executable plans, and orchestrate tool usage, task execution, and content synthesis. We systematically present key methodologies for realizing this paradigm, including task planning and tool integration, execution strategies, aligned and robust retrieval-augmented generation, and efficient LLM inference, spanning both algorithmic techniques and infrastructure-level optimizations. By providing an in-depth guide to these foundational components, this work aims to inform the development of trustworthy, adaptive, and scalable AI search systems.

Autonomous agent applications powered by large language models (LLMs) have recently risen to prominence as effective tools for addressing complex real-world tasks. At their core, agentic workflows rely on LLMs to plan and execute the use of tools and external Application Programming Interfaces (APIs) in sequence to arrive at the answer to a user's request. Various benchmarks and leaderboards have emerged to evaluate an LLM's capabilities for tool and API use; however, most of these evaluations only track single or multiple isolated API calling capabilities. In this paper, we present NESTFUL, a benchmark to evaluate LLMs on nested sequences of API calls, i.e., sequences where the output of one API call is passed as input to a subsequent call. NESTFUL has a total of 300 human annotated samples divided into two types - executable and non-executable. The executable samples are curated manually by crawling Rapid-APIs whereas the non-executable samples are hand picked by human annotators from data synthetically generated using an LLM. We evaluate state-of-the-art LLMs with function calling abilities on NESTFUL. Our results show that most models do not perform well on nested APIs in NESTFUL as compared to their performance on the simpler problem settings available in existing benchmarks.

AI agents have the potential to aid users on a variety of consequential tasks, including conducting scientific research. To spur the development of useful agents, we need benchmarks that are challenging, but more crucially, directly correspond to real-world tasks of interest. This paper introduces such a benchmark, designed to measure the accuracy of AI agents in tackling a crucial yet surprisingly challenging aspect of scientific research: computational reproducibility. This task, fundamental to the scientific process, involves reproducing the results of a study using the provided code and data. We introduce CORE-Bench (Computational Reproducibility Agent Benchmark), a benchmark consisting of 270 tasks based on 90 scientific papers across three disciplines (computer science, social science, and medicine). Tasks in CORE-Bench consist of three difficulty levels and include both language-only and vision-language tasks. We provide an evaluation system to measure the accuracy of agents in a fast and parallelizable way, saving days of evaluation time for each run compared to a sequential implementation. We evaluated two baseline agents: the general-purpose AutoGPT and a task-specific agent called CORE-Agent. We tested both variants using two underlying language models: GPT-4o and GPT-4o-mini. The best agent achieved an accuracy of 21% on the hardest task, showing the vast scope for improvement in automating routine scientific tasks. Having agents that can reproduce existing work is a necessary step towards building agents that can conduct novel research and could verify and improve the performance of other research agents. We hope that CORE-Bench can improve the state of reproducibility and spur the development of future research agents.