Autonomous Scientific Discovery

Overview

The field studies how AI can move beyond answering questions to uncovering patterns, mechanisms, equations, and useful experiments across mathematics, physics, biology, and materials science. Approaches include symbolic regression and sparse equation identification, active learning and Bayesian experiment selection, and LLM-based agents that coordinate coding, simulation, literature review, or laboratory work. Evaluation increasingly uses executable benchmarks, held-out data, formal proofs, and experimental validation to check both results and the evidence behind them. Systems can handle well-specified workflows, but open-ended insight, reliable mechanism claims, identifiability, and reproducibility remain difficult, motivating stronger verification and human oversight.

Latest papers

128 papers22 papers in the last four weeks, up 47% on the four weeks before. 0.1% of all new papers.

May 20, 2026

EvoSci: A Bio-Inspired Multi-Agent Framework for the Evolution of Scientific Discovery

Large language models (LLMs), have shown strong potential in scientific discovery, yet existing methods still face substantial challenges in the design of research workflows and multi-role collaboration mechanisms. To mitigate these issues, we propose EvoSci, a multi-agent scientific collaboration framework, which integrates bio-inspired evolution with knowledge graph modeling. To iteratively generate, evaluate, and refine research ideas, EvoSci incorporates multiple role-based agents, including mentor, researcher, and reviewer. By combining collaborative reasoning, shared memory, and evolutionary feedback, EvoSci significantly enhances the coherence and creativity of scientific exploration. Experiments on real-world research topics demonstrate that EvoSci significantly outperforms strong baselines in LLM-based structured peer-review and comparative ranking evaluations, achieving the highest overall peer-review score (ICLR 4.90) and top ranking (Top-10 = 54). These results suggest its superiority in both scientific idea generation and continuous discovery.
May 19, 2026

AutoResearchClaw: Self-Reinforcing Autonomous Research with Human-AI Collaboration

Automating scientific discovery requires more than generating papers from ideas. Real research is iterative: hypotheses are challenged from multiple perspectives, experiments fail and inform the next attempt, and lessons accumulate across cycles. Existing autonomous research systems often model this process as a linear pipeline: they rely on single-agent reasoning, stop when execution fails, and do not carry experience across runs. We present AutoResearchClaw, a multi-agent autonomous research pipeline built on five mechanisms: structured multi-agent debate for hypothesis generation and result analysis, a self-healing executor with a Pivot/Refine decision loop that transforms failures into information, verifiable result reporting that prevents fabricated numbers and hallucinated citations, human-in-the-loop collaboration with seven intervention modes spanning full autonomy to step-by-step oversight, and cross-run evolution that converts past mistakes into future safeguards. On ARC-Bench, a 25-topic experiment-stage benchmark, AutoResearchClaw outperforms AI Scientist v2 by 54.7%. A human-in-the-loop ablation across seven intervention modes reveals that precise, targeted collaboration at high-leverage decision points consistently outperforms both full autonomy and exhaustive step-by-step oversight. We position AutoResearchClaw as a research amplifier that augments rather than replaces human scientific judgment. Code is available at https://github.com/aiming-lab/AutoResearchClaw.
May 18, 2026

Real-time Multi-instrument Autonomous Discovery of Novel Phase-change Memory Materials

Autonomous labs enable the integration of automated experiment execution, data analysis and decision making. The main challenge remains the integration of diverse data streams from multiple instruments, where the data is often heterogeneous and unsynchronized. The standard learning process of undetermined synthesis-process-structure-property relationships (SPSPR) usually relies on post-experiment analysis after data is fully collected, not during live experiments, and decision making is carried out independently across characterization equipment. Here, we demonstrate the Multi-instrument Autonomous Discovery (MAD) framework -- combining structural property mapping and functional property optimization simultaneously in a closed-loop manner. As an example, we applied MAD to phase change memory (PCM) materials, and, in particular on the Mn-Sb-Te ternary, a previously unexplored materials system for PCM. A multi-output model is employed to merge data from x-ray diffraction (XRD) and electrical resistance measurements simultaneously through a co-regionalization kernel that models the relationship between them. The output probabilistic posterior and uncertainty quantification facilitate decision making with shared knowledge, while the goals are different across tasks. We aimed to maximize the knowledge of crystal structure distribution using non-negative matrix factorization (NMF), while in parallel, we find the composition with the maximum resistance value, an important figure of merit for PCM. Leveraging MAD, we found promising electrical PCMs and identified the SPSPR within 25 closed-loop iterations, corresponding to a seven-fold speed-up. The framework opens a new path of study in large-scale autonomous facilities, where future experiments can be run in parallel together, not independently.
May 14, 2026

Beyond AI as Assistants: Toward Autonomous Discovery in Cosmology

Recent advances in artificial intelligence (AI) agents are pushing AI beyond tools toward autonomous scientific discovery. We discuss two complementary agentic systems for cosmology: CMBEvolve, which targets tasks with explicit quantitative objectives through LLM-guided code evolution and tree search, and CosmoEvolve, which targets open-ended scientific workflows through a virtual multi-agent research laboratory. As preliminary demonstrations, we apply CMBEvolve to out-of-distribution detection in weak-lensing maps, where it iteratively improves the benchmark score through code evolution, and CosmoEvolve to autonomous ACT DR6 data analysis, where it identifies non-trivial pair- and scale-dependent behaviour and produces analysis-grade diagnostics. These examples show how cosmology can provide both controlled benchmark tasks and realistic open-ended research problems for the development of AI scientist systems.
May 13, 2026

Evaluating Memory Condensation Strategies for Coding Agents in Data-Driven Scientific Discovery

Coding agents accumulate extensive context during long-running tasks, yet fixed context windows force practitioners to choose between truncation and task failure. While numerous memory condensation strategies have been proposed, from simple sliding windows to LLM-generated summaries, no systematic comparison exists to guide strategy selection, especially in scientific discovery tasks. We evaluate eight memory condensation strategies using GPT-4o on sixty DiscoveryBench tasks spanning six scientific domains (480 total evaluations). We find that no condenser significantly alters hypothesis quality, while LLM-based condensers increase token costs by 24-94 percent, and masking tool-call outputs achieves an 8.6 percent net savings. We also observe that the optimal condenser for data-driven scientific discovery varies by scientific domain and task length.
May 13, 2026

Formal Conjectures: An Open and Evolving Benchmark for Verified Discovery in Mathematics

As automated reasoning systems advance rapidly, there is a growing need for research-level formal mathematical problems to accurately evaluate their capabilities. To address this, we present Formal Conjectures, an evolving benchmark of currently 2615 mathematical problem statements formalized in Lean 4. Sourced from areas of active mathematical research, the dataset features 1029 open research conjectures providing a zero-contamination benchmark for mathematical proof discovery, and 836 solved problems for proof autoformalization. Notably, the repository provides a structured interface connecting mathematicians who formalize and clarify problems with the AI systems and humans attempting to solve them. Demonstrating its immediate utility, the benchmark has already been leveraged to make new mathematical discoveries, including the resolution of open research conjectures. We describe our approach to ensuring the correctness of these formalizations in a collaborative open-source project where contributions stem from an active community. In this framework, AI-generated proofs and disproofs serve as a valuable auditing mechanism to iteratively improve the fidelity of the benchmark. Finally, we provide a standardized evaluation setup and report baseline results on frozen evaluation subsets, demonstrating a climbable signal that measures the current frontier of automated reasoning on research-level mathematics.
May 12, 2026

NOVA: Fundamental Limits of Knowledge Discovery Through AI

Can AI systems discover genuinely new knowledge through iterative self improvement, and if so, at what cost? We introduce the NOVA framework, which models the common ``generate, verify, accumulate, retrain'' loop as an adaptive sampling process over a knowledge space. We identify sufficient conditions under which accumulated genuine knowledge eventually covers a finite domain, and show how their violations produce distinct failure modes: contamination, forgetting, exploration failure, and acceptance failure. We then analyze imperfect verification and identify a contamination trap: as easy-to-find knowledge is exhausted, the model mass assigned to new valid artifacts shrinks, so even small false-positive rates can cause invalid artifacts to enter the knowledge base faster than genuine discoveries. We clarify that Good--Turing estimation is a local batch-diversity diagnostic, not an estimator of the historically undiscovered valid mass that governs long-term discovery. Under a separate tail-equivalence assumption relating the model's effective discovery distribution to a Zipf law with exponent α>1α>1, we prove that the cumulative generation cost required to obtain DD distinct genuine discoveries satisfies Rcum(D)=Θ(cgenDα)R_{\mathrm{cum}}(D)=Θ(c_{\mathrm{gen}}D^α), where cgenc_{\mathrm{gen}} is the per-candidate generation cost. This scaling law quantifies asymptotic diminishing returns as the discovery frontier advances. Finally, we formalize human amplification through guidance, generation, and verification, explaining why expert input is most valuable near autonomous exploration barriers.
May 12, 2026

CVEvolve: Autonomous Algorithm Discovery for Unstructured Scientific Data Processing

Scientific data processing often requires task-specific algorithms or AI models, creating a barrier for domain scientists who need to analyze their data but may not have extensive computing or image-processing expertise. This barrier is especially pronounced when data are noisy, have a high dynamic range, are sparsely labeled, or are only loosely specified. We introduce CVEvolve, an autonomous agentic harness with a zero-code interface for scientific data-processing algorithm discovery. CVEvolve combines a multi-round search strategy with tools for code execution, evaluation implementation, history management, holdout testing, and optional inspection of scientific data and visual outputs. The search alternates between discovery and improvement actions, and uses lineage-aware stochastic candidate sampling to balance exploration and exploitation. We demonstrate CVEvolve on X-ray fluorescence microscopy image registration, Bragg peak detection, high-energy diffraction microscopy image segmentation, and hybrid analytical-learning-based affine registration. Across these tasks, CVEvolve discovers algorithms that improve over baseline methods, while holdout test tracking helps identify candidates that generalize better than later over-optimized alternatives. These results show that zero-code, autonomous LLM-powered algorithm development can help domain scientists turn unstructured scientific image data into practical algorithms and downstream scientific discoveries.
May 10, 2026

Discovery of Nonlinear Dynamics with Automated Basis Function Generation

Discovering governing equations from observational data remains a fundamental challenge in scientific modeling, particularly when the underlying mathematical structure is unknown. Traditional sparse identification methods like SINDy excel at discovering parsimonious models but require researchers to specify candidate basis functions a priori, a limitation that often leads to model failure when critical terms are omitted or when systems exhibit unconventional dynamics. Purely symbolic regression approaches offer unlimited flexibility but struggle with noise sensitivity and frequently produce overly complex, unstable equations. We present AutoSINDy, a hybrid Discovery-then-Solve framework that combines the exploratory power of symbolic regression with the robust sparsity-promoting capabilities of SINDy. Our method operates in three stages: (1) PySR-based symbolic regression discovers candidate functional forms from bootstrapped data chunks; (2) a curation pipeline decomposes, expands, and filters these expressions using collinearity analysis to construct a minimal yet comprehensive library; and (3) SINDy identifies sparse governing equations from this custom-tailored library. Extensive experiments across canonical nonlinear systems demonstrate that AutoSINDy consistently recovers ground-truth equations even under high observational noise, achieving a ground-truth recovery rate of 92.8% across all trials. Compared with standard SINDy using enriched libraries and standalone symbolic regression, AutoSINDy achieves higher predictive accuracy, superior generalization to unseen trajectories, and substantially lower symbolic complexity.
May 9, 2026

Agentic AI Scientists Are Not Built For Autonomous Scientific Discovery

A growing body of work pursues AI scientists capable of end-to-end autonomous scientific discovery. This position paper argues that although they already function as co-scientists, agentic AI scientists are not built for autonomous scientific discovery. We identify the following challenges in building and deploying autonomous AI scientists: (1) Problem selection is influenced by the McNamara fallacy; (2) Agents are built on large language models (LLMs) whose training corpora omit tacit procedural and failure knowledge of laboratory practice; (3) Preference optimisation during post-training compresses output diversity toward consensus; and (4) Most scientific benchmarks measure single-turn prediction accuracy and lack feedback from physical experiments back to the computational model. These challenges are not just questions of scale and scaffolding; they require revisiting fundamental design choices. To build truly autonomous AI scientists, we recommend the use of scientific simulations as verifiers for training, the design of persistent world models that represent the shifting objectives governing real investigations, the establishment of a centralized preregistration repository for all AI-generated hypotheses, and application driven by scientific need rather than tool affordance.
May 8, 2026

Discovering Ordinary Differential Equations with LLM-Based Qualitative and Quantitative Evaluation

Discovering governing differential equations from observational data is a fundamental challenge in scientific machine learning. Existing symbolic regression approaches rely primarily on quantitative metrics; however, real-world differential equation modeling also requires incorporating domain knowledge to ensure physical plausibility. To address this gap, we propose DoLQ, a method for discovering ordinary differential equations with LLM-based qualitative and quantitative evaluation. DoLQ employs a multi-agent architecture: a Sampler Agent proposes dynamic system candidates, a Parameter Optimizer refines equations for accuracy, and a Scientist Agent leverages an LLM to conduct both qualitative and quantitative evaluations and synthesize their results to iteratively guide the search. Experiments on multi-dimensional ordinary differential equation benchmarks demonstrate that DoLQ achieves superior performance compared to existing methods, not only attaining higher success rates but also more accurately recovering the correct symbolic terms of ground truth equations. Our code is available at https://github.com/Bon99yun/DoLQ.
May 7, 2026

AI CFD Scientist: Toward Open-Ended Computational Fluid Dynamics Discovery with Physics-Aware AI Agents

Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning research, in chemistry, and in biology. Extending the same loop to high-fidelity physical simulators is harder, because solver completion does not imply physical validity and many failure modes appear only in field-level imagery rather than in solver logs. We present AI CFD Scientist, an open-source AI scientist for computational fluid dynamics (CFD) that, to our knowledge, is the first to span literature-grounded ideation, validated execution, vision-based physics verification, source-code modification, and figure-grounded writing within a single inspectable workflow. Three coupled pathways cover parameter sweeps within a fixed solver, case-local C++ library compilation for new physical models, and open-ended hypothesis search against a reference comparator, all running on OpenFOAM through Foam-Agent. At the center of the framework is a vision-language physics-verification gate that inspects rendered flow fields before any result is accepted, rerun, or written into a manuscript. On five tasks under a shared GPT-5.5 backbone, AI CFD Scientist autonomously discovers a Spalart-Allmaras runtime correction that reduces lower-wall Cf RMSE against DNS by 7.89% on the periodic hill at Reh=5600; under matched LLM cost, two strong general AI-scientist baselines (ARIS, DeepScientist) execute partial CFD workflows but lack the domain-specific validity gates needed to convert runs into defensible scientific claims; and a controlled planted-failure ablation shows that the vision-language gate detects 14 of 16 silent failures missed by solver-level checks. Code, prompts, and run artifacts are released at https://github.com/csml-rpi/cfd-scientist.
May 7, 2026

PyCC.id: A package for hypothesis-driven equation discovery with structural identifiability

Data-driven equation discovery is fundamentally an inverse problem that seeks to infer the governing differential equations of a system directly from time-series measurements. A known issue is the ill-conditioned nature of the inverse problem, which frequently produces multiple mathematical models that fit the data similarly well. One path to address this issue is by incorporating known hypotheses and constraints into the training phase beforehand. While this approach effectively reduces the search space, it still results in multiple candidate models, forcing practitioners to rely on post-hoc manual filtering based on their own domain expertise. A recent approach incorporates structural `skeletons' inspired by characteristic curves (CCs), defining a hypothesis-driven methodology. In this methodology, practitioners define a skeleton, which is associated with a family of ordinary differential equations (ODEs), and then add their hypotheses and priors based on their domain knowledge to refine the obtained model iteratively. An important advantage of this approach is that some skeletons have demonstrable structural identifiability properties, which are useful for checking whether the skeleton is correct or should be discarded. Furthermore, this formalism enables the use of multiple equation discovery paradigms due to its modularity (such as neural networks, symbolic regression, and sparse regression). In this work, we present the Python library PyCC, which condenses these efforts into a flexible tool that allows researchers and engineers to seamlessly define their skeletons and hypotheses to discover ODEs from time-dependent data.
May 1, 2026

Born-Qualified: An Autonomous Framework for Deploying Advanced Energy and Electronic Materials

Autonomous science is transforming how we discover materials and chemical systems for advanced energy technologies. However, many initially promising systems never reach deployment. This "valley of death" stems from optimization that prioritizes laboratory metrics over industrial viability. We propose a new strategy: "born-qualified" autonomous development, which embeds manufacturability, cost, and durability constraints from the outset. This approach is enabled by four pillars, including the development of multi-objective metrics, causal models, a modular infrastructure, and embedding manufacturing in the discovery loop. Realizing this vision will require sustained, community-wide commitment, but the potential return on that investment is commensurate with the scale of the challenge.
Apr 30, 2026

D3-Gym: Constructing Real-World Verifiable Environments for Data-Driven Discovery

Despite recent progress in language models and agents for scientific data-driven discovery, advancing their capabilities is held back by the absence of verifiable environments representing real-world scientific tasks. To fill this gap, we introduce D3-Gym, the first automatically constructed dataset with verifiable environments for scientific Data-Driven Discovery. D3-Gym comprises 565 tasks from 239 real scientific repositories across four disciplines, each with a natural language instruction, an executable environment with pre-installed dependencies, dataset previews, a reference solution, and an automatically synthesized evaluation script. Our evaluation scripts achieve 87.5% agreement with human-annotated gold standards and strong alignment in domain-specific evaluation logic. Training on trajectories sampled from D3-Gym yields consistent gains across Qwen3 models on ScienceAgentBench, boosting Qwen3-32B by 7.8 absolute points and shrinking the gap with strong proprietary models. We further illustrate, through case studies, how D3-Gym environments can serve as a testbed for studying agentic optimization loops such as Autoresearch on real scientific workflows. We open-source D3-Gym, its creation workflow, sampled trajectories, and training scripts at https://github.com/OSU-NLP-Group/D3-Gym.
Apr 30, 2026

Machine Collective Intelligence for Explainable Scientific Discovery

Deriving governing equations from empirical observations is a longstanding challenge in science. Although artificial intelligence (AI) has demonstrated substantial capabilities in function approximation, the discovery of explainable and extrapolatable equations remains a fundamental limitation of modern AI, posing a central bottleneck for AI-driven scientific discovery. Here, we present machine collective intelligence, a unified paradigm that integrates two fundamental yet distinct traditions in computational intelligence--symbolism and metaheuristics--to enable autonomous and evolutionary discovery of governing equations. It orchestrates multiple reasoning agents to evolve their symbolic hypotheses through coordinated generation, evaluation, critique, and consolidation, enabling scientific discovery beyond single-agent inference. Across scientific systems governed by deterministic, stochastic, or previously uncharacterized dynamics, machine collective intelligence autonomously recovered the underlying governing equations without relying on hand-crafted domain knowledge. Furthermore, the resulting equations reduced extrapolation error by up to six orders of magnitude relative to deep neural networks, while condensing 0.5-1 million model parameters into just 5-40 interpretable parameters. This study marks an important shift in AI toward the autonomous discovery of principled scientific equations.
Apr 29, 2026

End-to-end autonomous scientific discovery on a real optical platform

Scientific research has long been human-led, driving new knowledge and transformative technologies through the continual revision of questions, methods and claims as evidence accumulates. Although large language model (LLM)-based agents are beginning to move beyond assisting predefined research workflows, none has yet demonstrated end-to-end autonomous discovery in a real physical system that produces a nontrivial result supported by experimental evidence. Here we introduce Qiushi Discovery Engine, an LLM-based agentic system for end-to-end autonomous scientific discovery on a real optical platform. Qiushi Engine combines nonlinear research phases, Meta-Trace memory and a dual-layer architecture to maintain adaptive and stable research trajectories across long-horizon investigations involving thousands of LLM-mediated reasoning, measurement and revision actions. It autonomously reproduces a published transmission-matrix experiment on a non-original platform and converts an abstract coherence-order theory into experimental observables, providing, to our knowledge, the first observation of this class of coherence-order structure. More importantly, in an open-ended study involving 145.9 million tokens, 3,242 LLM calls, 1,242 tool calls, 163 research notes and 44 scripts, Qiushi Engine proposes and experimentally validates optical bilinear interaction, a physical mechanism structurally analogous to a core operation in Transformer attention. This AI-discovered mechanism suggests a route towards high-speed, energy-efficient optical hardware for pairwise computation. To our knowledge, this is the first demonstration of an AI agentic system autonomously identifying and experimentally validating a nontrivial, previously unreported physical mechanism, marking a milestone for research-level autonomous agents.
Apr 20, 2026

AI scientists produce results without reasoning scientifically

Large language model (LLM)-based systems are increasingly deployed to conduct scientific research autonomously, yet whether their reasoning adheres to the epistemic norms that make scientific inquiry self-correcting is poorly understood. Here, we evaluate LLM-based scientific agents across eight domains, spanning workflow execution to hypothesis-driven inquiry, through more than 25,000 agent runs and two complementary lenses: (i) a systematic performance analysis that decomposes the contributions of the base model and the agent scaffold, and (ii) a behavioral analysis of the epistemological structure of agent reasoning. We observe that the base model is the primary determinant of both performance and behavior, accounting for 41.4% of explained variance versus 1.5% for the scaffold. Across all configurations, evidence is ignored in 68% of traces, refutation-driven belief revision occurs in 26%, and convergent multi-test evidence is rare. The same reasoning pattern appears whether the agent executes a computational workflow or conducts hypothesis-driven inquiry. They persist even when agents receive near-complete successful reasoning trajectories as context, and the resulting unreliability compounds across repeated trials in epistemically demanding domains. Thus, current LLM-based agents execute scientific workflows but do not exhibit the epistemic patterns that characterize scientific reasoning. Outcome-based evaluation cannot detect these failures, and scaffold engineering alone cannot repair them. Until reasoning itself becomes a training target, the scientific knowledge produced by such agents cannot be justified by the process that generated it.
Apr 17, 2026

Neuro-Symbolic ODE Discovery with Latent Grammar Flow

Understanding natural and engineered systems often relies on symbolic formulations, such as differential equations, which provide interpretability and transferability beyond black-box models. We introduce Latent Grammar Flow (LGF), a neuro-symbolic generative framework for discovering ordinary differential equations from data. LGF embeds equations as grammar-based representations into a discrete latent space and forces semantically similar equations to be positioned closer together with a behavioural loss. Then, a discrete flow model guides the sampling process to recursively generate candidate equations that best fit the observed data. Domain knowledge and constraints, such as stability, can be either embedded into the rules or used as conditional predictors.
Apr 8, 2026

kk-server-bench: Automating Potential Discovery for the kk-Server Conjecture

We introduce a code-based challenge for automated, open-ended mathematical discovery based on the kk-server conjecture, a central open problem in competitive analysis. The task is to discover a potential function satisfying a large graph-structured system of simple linear inequalities. The resulting evaluation procedure is sound but incomplete: any violated inequality definitively refutes a candidate, whereas satisfying all inequalities does not by itself constitute a proof of the corresponding conjecture's special case. Nevertheless, a candidate that passes all constraints would be strong evidence toward a valid proof and, to the best of our knowledge, no currently known potential achieves this under our formulation in the open k=4k=4 circle case. As such, a successful candidate would already be an interesting contribution to the kk-server conjecture, and could become a substantial theoretical result when paired with a full proof. Experiments on the resolved k=3k=3 regime show that current agentic methods can solve nontrivial instances, and in the open k=4k=4 regime they reduce the number of violations relative to existing potentials without fully resolving the task. Taken together, these results suggest that the task is challenging but plausibly within reach of current methods. Beyond its relevance to the kk-server community, where the developed tooling enables researchers to test new hypotheses and potentially improve on the current record, the task also serves as a useful benchmark for developing code-based discovery agents. In particular, our k=3k=3 results show that it mitigates important limitations of existing open-ended code-based benchmarks, including early saturation and the weak separation between naive random baselines and more sophisticated methods.
Apr 2, 2026

CORAL: Towards Autonomous Multi-Agent Evolution for Open-Ended Discovery

Large language model (LLM)-based evolution is a promising approach for open-ended discovery, where progress requires sustained search and knowledge accumulation. Existing methods still rely heavily on fixed heuristics and hard-coded exploration rules, which limit the autonomy of LLM agents. We present CORAL, the first framework for autonomous multi-agent evolution on open-ended problems. CORAL replaces rigid control with long-running agents that explore, reflect, and collaborate through shared persistent memory, asynchronous multi-agent execution, and heartbeat-based interventions. It also provides practical safeguards, including isolated workspaces, evaluator separation, resource management, and agent session and health management. Evaluated on diverse mathematical, algorithmic, and systems optimization tasks, CORAL sets new state-of-the-art results on 10 tasks, achieving 3-10 times higher improvement rates with far fewer evaluations than fixed evolutionary search baselines across tasks. On Anthropic's kernel engineering task, four co-evolving agents improve the best known score from 1363 to 1103 cycles. Mechanistic analyses further show how these gains arise from knowledge reuse and multi-agent exploration and communication. Together, these results suggest that greater agent autonomy and multi-agent evolution can substantially improve open-ended discovery. Code is available at https://github.com/Human-Agent-Society/CORAL.
Mar 31, 2026

Nomad: Autonomous Exploration and Discovery

We introduce Nomad, a system for autonomous data exploration and insight discovery. Given a corpus of documents, databases, or other data sources, users rarely know the full set of questions, hypotheses, or connections that could be explored. As a result, query-driven question answering and prompt-driven deep-research systems remain limited by human framing and often fail to cover the broader insight space. Nomad addresses this problem with an exploration-first architecture. It constructs an explicit Exploration Map over the domain and systematically traverses it to balance breadth and depth. It generates and selects hypotheses and investigates them with an explorer agent that can use document search, web search, and database tools. Candidate insights are then checked by an independent verifier before entering a reporting pipeline that produces cited reports and higher-level meta-reports. We also present a comprehensive evaluation framework for autonomous discovery systems that measures trustworthiness, report quality, and diversity. Using corpora of selected UN and WHO reports and arXiv papers on LLM agents, we show that Nomad produces reports with strong numeric grounding, higher overall quality and actionability than baselines, and more diverse insights over several runs. Nomad is a step toward autonomous systems that not only answer user questions or conduct directed research, but also discover which questions, research directions, and insights are worth surfacing in the first place.
Mar 31, 2026

Towards End-to-End Automation of AI Research

The automation of science is a long-standing ambition in the field of AI. While the community has made significant progress in automating individual components of the scientific process, a system that autonomously navigates the entire research lifecycle -- from conception to publication -- has remained out of reach. Here, we present the strongest demonstration to date toward automating the entire process end-to-end. We present The AI Scientist, which creates research ideas, writes code, runs experiments, plots and analyzes data, writes the entire scientific manuscript and performs its own peer review. Its ideas, execution, and presentation are of sufficient quality to produce a manuscript generated by an AI system that passes the first round of peer review at a major machine learning conference workshop. The workshop has an acceptance rate of 70 percent. Our system leverages modern foundation models within a complex agentic system. We evaluate The AI Scientist in two settings: a focused mode using human-provided code templates as an initial scaffold to conduct research on a specific topic, and a template-free, open-ended mode that leverages agentic search for wider scientific exploration. Both settings produce diverse ideas and automatically test, report on, and evaluate them. This achievement demonstrates AI's growing capacity for scientific contribution and signifies a potential paradigm shift in how research is conducted. As with any impactful new technology, there could be significant risks, including taxing overwhelmed review systems and adding noise to scientific literature. However, if developed responsibly, such autonomous systems could greatly accelerate scientific discovery.
Mar 30, 2026

Let the Abyss Stare Back Adaptive Falsification for Autonomous Scientific Discovery

Autonomous scientific discovery is entering a more dangerous regime: once the evaluator is frozen, a sufficiently strong search process can learn to win the exam without learning the mechanism the task was meant to reveal. This is the idea behind our title. To let the abyss stare back is to make evaluation actively push against the candidate through adaptive falsification, rather than passively certify it through static validation. We introduce DASES, a falsification-driven framework in which an Innovator, an Abyss Falsifier, and a Mechanistic Causal Extractor co-evolve executable scientific artifacts and scientifically admissible counterexample environments under a fixed scientific contract. In a controlled loss-discovery problem with a single editable locus, DASES rejects artifacts that static validation would have accepted, identifies the first candidate that survives the admissible falsification frontier, and discovers FNG-CE, a loss that transfers beyond the synthetic discovery environment and consistently outperforms CE and CE+L2 under controlled comparisons across standard benchmarks, including ImageNet.
Mar 29, 2026

TianJi:An autonomous AI meteorologist for discovering physical mechanisms in atmospheric science

Artificial intelligence (AI) has achieved breakthroughs comparable to traditional numerical models in data-driven weather forecasting, yet it remains essentially statistical fitting and struggles to uncover the physical causal mechanisms of the atmosphere. Physics-oriented mechanism research still heavily relies on domain knowledge and cumbersome engineering operations of human scientists, becoming a bottleneck restricting the efficiency of Earth system science exploration. Here, we propose TianJi - the first "AI meteorologist" system capable of autonomously driving complex numerical models to verify physical mechanisms. Powered by a large language model-driven multi-agent architecture, TianJi can autonomously conduct literature research and generate scientific hypotheses. We further decouple scientific research into cognitive planning and engineering execution: the meta-planner interprets hypotheses and devises experimental roadmaps, while a cohort of specialized worker agents collaboratively complete data preparation, model configuration, and multi-dimensional result analysis. In two classic atmospheric dynamic scenarios (squall-line cold pools and typhoon track deflections), TianJi accomplishes expert-level end-to-end experimental operations with zero human intervention, compressing the research cycle to a few hours. It also delivers detailed result analyses and autonomously judges and explains the validity of the hypotheses from outputs. TianJi reveals that the role of AI in Earth system science is transitioning from a "black-box predictor" to an "interpretable scientific collaborator", offering a new paradigm for high-throughput exploration of scientific mechanisms.
Mar 22, 2026

The AI Scientific Community: Agentic Virtual Lab Swarms

In this short note we propose using agentic swarms of virtual labs as a model of an AI Science Community. In this paradigm, each particle in the swarm represents a complete virtual laboratory instance, enabling collective scientific exploration that mirrors real-world research communities. The framework leverages the inherent properties of swarm intelligence - decentralized coordination, balanced exploration-exploitation trade-offs, and emergent collective behavior - to simulate the behavior of a scientific community and potentially accelerate scientific discovery. We discuss architectural considerations, inter-laboratory communication and influence mechanisms including citation-analogous voting systems, fitness function design for quantifying scientific success, anticipated emergent behaviors, mechanisms for preventing lab dominance and preserving diversity, and computational efficiency strategies to enable large swarms exhibiting complex emergent behavior analogous to real-world scientific communities. A working instance of the AI Science Community is currently under development.
Mar 22, 2026

Toward an automated science of the mind

Artificial Intelligence is starting to automate scientific discovery, raising the prospect of an automated science of the mind. We chart this field around four challenges: representing experiments, generating synthetic behavior, synthesizing models, and closing the loop to discover psychological theories.
Mar 20, 2026

Revisiting Gene Ontology Knowledge Discovery with Hierarchical Feature Selection and Virtual Study Group of AI Agents

Large language models have achieved great success in multiple challenging tasks, and their capacity can be further boosted by the emerging agentic AI techniques. This new computing paradigm has already started revolutionising the traditional scientific discovery pipelines. In this work, we propose a novel agentic AI-based knowledge discovery-oriented virtual study group that aims to extract meaningful ageing-related biological knowledge considering highly ageing-related Gene Ontology terms that are selected by hierarchical feature selection methods. We investigate the performance of the proposed agentic AI framework by considering four different model organisms' ageing-related Gene Ontology terms and validate the biological findings by reviewing existing research articles. It is found that the majority of the AI agent-generated scientific claims can be supported by existing literatures and the proposed internal mechanisms of the virtual study group also play an important role in the designed agentic AI-based knowledge discovery framework.
Mar 15, 2026

Autonomous Agents Coordinating Distributed Discovery Through Emergent Artifact Exchange

We present ScienceClaw + Infinite, a framework for autonomous scientific investigation in which independent agents conduct research without central coordination, and any contributor can deploy new agents into a shared ecosystem. The system is built around three components: an extensible registry of over 300 interoperable scientific skills, an artifact layer that preserves full computational lineage as a directed acyclic graph (DAG), and a structured platform for agent-based scientific discourse with provenance-aware governance. Agents select and chain tools based on their scientific profiles, produce immutable artifacts with typed metadata and parent lineage, and broadcast unsatisfied information needs to a shared global index. The ArtifactReactor enables plannerless coordination: peer agents discover and fulfill open needs through pressure-based scoring, while schema-overlap matching triggers multi-parent synthesis across independent analyses. An autonomous mutation layer actively prunes the expanding artifact DAG to resolve conflicting or redundant workflows, while persistent memory allows agents to continuously build upon complex epistemic states across multiple cycles. Infinite converts these outputs into auditable scientific records through structured posts, provenance views, and machine-readable discourse relations, with community feedback steering subsequent investigation cycles. Across four autonomous investigations, peptide design for the somatostatin receptor SSTR2, lightweight impact-resistant ceramic screening, cross-domain resonance bridging biology, materials, and music, and formal analogy construction between urban morphology and grain-boundary evolution, the framework demonstrates heterogeneous tool chaining, emergent convergence among independently operating agents, and traceable reasoning from raw computation to published finding.
Mar 6, 2026

Symmetry-Constrained Language-Guided Program Synthesis for Discovering Governing Equations from Noisy and Partial Observations

Discovering compact governing equations from experimental observations is one of the defining objectives of quantitative science, yet practical discovery pipelines routinely fail when measurements are noisy, relevant state variables are unobserved, or multiple symbolic structures explain the data equally well within statistical uncertainty. Here we introduce SymLang (Symmetry-constrained Language-guided equation discovery), a unified framework that brings together three previously separate ideas: (i) typed symmetry-constrained grammars that encode dimensional analysis, group-theoretic invariance, and parity constraints as hard production rules, eliminating on average 71.3% of candidate expression trees before any fitting; (ii) language-model-guided program synthesis in which a fine-tuned 7B-parameter proposer, conditioned on interpretable data descriptors, efficiently navigates the constrained search space; and (iii) MDL-regularized Bayesian model selection coupled with block-bootstrap stability analysis that quantifies structural uncertainty rather than committing to a single best equation. Across 133 dynamical systems spanning classical mechanics, electrodynamics, thermodynamics, population dynamics, and nonlinear oscillators, SymLang achieves an exact structural recovery rate of 83.7% under 10% observational noise - a 22.4 percentage-point improvement over the next-best baseline - while reducing out-of-distribution extrapolation error by 61% and near-eliminating conservation-law violations (3.1 x 10-3 vs. 187.3 x 10-3 physical drift for the closest competitor). In all tested regimes the framework correctly identifies structural degeneracy, reporting it explicitly rather than returning a confidently wrong single equation. The framework is fully open-source and reproducible, providing a principled pathway from raw data to interpretable, physically auditable symbolic laws.