Daily Papers

RLVR improves reasoning in large language models, but its effectiveness is often limited by severe reward sparsity on hard problems. Recent hint-based RL methods mitigate sparsity by injecting partial solutions or abstract templates, yet they typically scale guidance by adding more tokens, which introduce redundancy, inconsistency, and extra training overhead. We propose KnowRL (Knowledge-Guided Reinforcement Learning), an RL training framework that treats hint design as a minimal-sufficient guidance problem. During RL training, KnowRL decomposes guidance into atomic knowledge points (KPs) and uses Constrained Subset Search (CSS) to construct compact, interaction-aware subsets for training. We further identify a pruning interaction paradox -- removing one KP may help while removing multiple such KPs can hurt -- and explicitly optimize for robust subset curation under this dependency structure. We train KnowRL-Nemotron-1.5B from OpenMath-Nemotron-1.5B. Across eight reasoning benchmarks at the 1.5B scale, KnowRL-Nemotron-1.5B consistently outperforms strong RL and hinting baselines. Without KP hints at inference, KnowRL-Nemotron-1.5B reaches 70.08 average accuracy, already surpassing Nemotron-1.5B by +9.63 points; with selected KPs, performance improves to 74.16, establishing a new state of the art at this scale. The model, curated training data, and code are publicly available at https://github.com/Hasuer/KnowRL.

Recent years have brought about a renewed interest in commonsense representation and reasoning in the field of natural language understanding. The development of new commonsense knowledge graphs (CSKG) has been central to these advances as their diverse facts can be used and referenced by machine learning models for tackling new and challenging tasks. At the same time, there remain questions about the quality and coverage of these resources due to the massive scale required to comprehensively encompass general commonsense knowledge. In this work, we posit that manually constructed CSKGs will never achieve the coverage necessary to be applicable in all situations encountered by NLP agents. Therefore, we propose a new evaluation framework for testing the utility of KGs based on how effectively implicit knowledge representations can be learned from them. With this new goal, we propose ATOMIC 2020, a new CSKG of general-purpose commonsense knowledge containing knowledge that is not readily available in pretrained language models. We evaluate its properties in comparison with other leading CSKGs, performing the first large-scale pairwise study of commonsense knowledge resources. Next, we show that ATOMIC 2020 is better suited for training knowledge models that can generate accurate, representative knowledge for new, unseen entities and events. Finally, through human evaluation, we show that the few-shot performance of GPT-3 (175B parameters), while impressive, remains ~12 absolute points lower than a BART-based knowledge model trained on ATOMIC 2020 despite using over 430x fewer parameters.

While LLMs exhibit remarkable fluency, their utility is often compromised by factual hallucinations and a lack of traceable provenance. Existing resources for grounding mitigate this but typically enforce a dichotomy: they offer either structured knowledge without textual context (e.g., knowledge bases) or grounded text with limited scale and linguistic coverage. To bridge this gap, we introduce FactNet, a massive, open-source resource designed to unify 1.7 billion atomic assertions with 3.01 billion auditable evidence pointers derived exclusively from 316 Wikipedia editions. Unlike recent synthetic approaches, FactNet employs a strictly deterministic construction pipeline, ensuring that every evidence unit is recoverable with byte-level precision. Extensive auditing confirms a high grounding precision of 92.1%, even in long-tail languages. Furthermore, we establish FactNet-Bench, a comprehensive evaluation suite for Knowledge Graph Completion, Question Answering, and Fact Checking. FactNet provides the community with a foundational, reproducible resource for training and evaluating trustworthy, verifiable multilingual systems.

With recent advances, neural models can achieve human-level performance on various natural language tasks. However, there are no guarantees that any explanations from these models are faithful, i.e. that they reflect the inner workings of the model. Atomic inference overcomes this issue, providing interpretable and faithful model decisions. This approach involves making predictions for different components (or atoms) of an instance, before using interpretable and deterministic rules to derive the overall prediction based on the individual atom-level predictions. We investigate the effectiveness of using LLM-generated facts as atoms, decomposing Natural Language Inference premises into lists of facts. While directly using generated facts in atomic inference systems can result in worse performance, with 1) a multi-stage fact generation process, and 2) a training regime that incorporates the facts, our fact-based method outperforms other approaches.

We define an atomic generation fact f=(u,tau,omega,z;rho), recording the origin, realized transformation, concrete occurrence, generated result and relation role. Compiled into a Generation-Fact Graph (GFG), these facts provide an AI-native, compilable scientific fact substrate preserving generation histories. We establish a GFG-based recursive scientific process in which analysis, intervention, replay and validation form facts for later cycles. Using nanoGPT, we establish unified training-learning dynamics. Training is the evolution of a parameter-optimizer system with state and memory: each actual training action enters the receiving state and produces a finite-amplitude nonlinear functional response conditioned by that state and target-specific update geometry. Learning is the persistent reorganization of distributed functional support by these responses; capability formation, maintenance, decline or recovery becomes observable when target-specific states are evaluated against their readout boundaries. Three primary coordinates - target-boundary state, target-specific update geometry and parameter-Adam receiving state - yield a second-order predictor operating before post-update outputs are read. On held-out runs, it achieved 91.43% accuracy and 91.49% macro-averaged recall across four transitions. We further establish inference as a frozen projection of training-learning dynamics. Component gating and rollback show causal recruitment and non-additive combination of query-conditioned support formed during training, deriving organizational conditions realized by Attention. Controlled feedback indicates possible double-edged reinforcement effects. ResNet/CIFAR-100 and diffusion/CIFAR-10 experiments confirm receiving-state-conditioned responses, persistent support reorganization and frozen inference projection beyond nanoGPT.

We present ATOMIC, an atlas of everyday commonsense reasoning, organized through 877k textual descriptions of inferential knowledge. Compared to existing resources that center around taxonomic knowledge, ATOMIC focuses on inferential knowledge organized as typed if-then relations with variables (e.g., "if X pays Y a compliment, then Y will likely return the compliment"). We propose nine if-then relation types to distinguish causes vs. effects, agents vs. themes, voluntary vs. involuntary events, and actions vs. mental states. By generatively training on the rich inferential knowledge described in ATOMIC, we show that neural models can acquire simple commonsense capabilities and reason about previously unseen events. Experimental results demonstrate that multitask models that incorporate the hierarchical structure of if-then relation types lead to more accurate inference compared to models trained in isolation, as measured by both automatic and human evaluation.

In today's rapidly expanding data landscape, knowledge extraction from unstructured text is vital for real-time analytics, temporal inference, and dynamic memory frameworks. However, traditional static knowledge graph (KG) construction often overlooks the dynamic and time-sensitive nature of real-world data, limiting adaptability to continuous changes. Moreover, recent zero- or few-shot approaches that avoid domain-specific fine-tuning or reliance on prebuilt ontologies often suffer from instability across multiple runs, as well as incomplete coverage of key facts. To address these challenges, we introduce ATOM (AdapTive and OptiMized), a few-shot and scalable approach that builds and continuously updates Temporal Knowledge Graphs (TKGs) from unstructured texts. ATOM splits input documents into minimal, self-contained "atomic" facts, improving extraction exhaustivity and stability. Then, it constructs atomic TKGs from these facts while employing a dual-time modeling that distinguishes when information is observed from when it is valid. The resulting atomic TKGs are subsequently merged in parallel. Empirical evaluations demonstrate that ATOM achieves ~18% higher exhaustivity, ~17% better stability, and over 90% latency reduction compared to baseline methods, demonstrating a strong scalability potential for dynamic TKG construction.

There has recently been considerable interest in incorporating information retrieval into large language models (LLMs). Retrieval from a dynamically expanding external corpus of text allows a model to incorporate current events and can be viewed as a form of episodic memory. Here we demonstrate that pre-processing the external corpus into semi-structured ''atomic facts'' makes retrieval more efficient. More specifically, we demonstrate that our particular form of atomic facts improves performance on various question answering tasks when the amount of retrieved text is limited. Limiting the amount of retrieval reduces the size of the context and improves inference efficiency.

The sequential process of conceptualization and instantiation is essential to generalizable commonsense reasoning as it allows the application of existing knowledge to unfamiliar scenarios. However, existing works tend to undervalue the step of instantiation and heavily rely on pre-built concept taxonomies and human annotations to collect both types of knowledge, resulting in a lack of instantiated knowledge to complete reasoning, high cost, and limited scalability. To tackle these challenges, we introduce CANDLE, a distillation framework that iteratively performs contextualized conceptualization and instantiation over commonsense knowledge bases by instructing large language models to generate both types of knowledge with critic filtering. By applying CANDLE to ATOMIC, we construct a comprehensive knowledge base comprising six million conceptualizations and instantiated commonsense knowledge triples. Both types of knowledge are firmly rooted in the original ATOMIC dataset, and intrinsic evaluations demonstrate their exceptional quality and diversity. Empirical results indicate that distilling CANDLE on student models provides benefits across four downstream tasks. Our code, data, and models are publicly available at https://github.com/HKUST-KnowComp/CANDLE.

Recent GraphRAG methods integrate graph structures into text indexing and retrieval, using knowledge graph triples to connect text chunks, thereby improving retrieval coverage and precision. However, we observe that treating text chunks as the basic unit of knowledge representation rigidly groups multiple atomic facts together, limiting the flexibility and adaptability needed to support diverse retrieval scenarios. Additionally, triple-based entity linking is sensitive to relation-extraction errors, which can lead to missing or incorrect reasoning paths and ultimately hurt retrieval accuracy. To address these issues, we propose the Atom-Entity Graph, a more precise and reliable architecture for knowledge representation and indexing. In our approach, knowledge is stored as knowledge atoms, namely individual, self-contained units of factual information, rather than coarse-grained text chunks. This allows knowledge elements to be flexibly reassembled without mutual interference, thereby enabling seamless alignment with diverse query perspectives. Edges between entities simply indicate whether a relationship exists. By combining personalized PageRank with relevance-based filtering, we maintain accurate entity connections and improve the reliability of reasoning. Theoretical analysis and experiments on five public benchmarks show that the proposed AtomicRAG algorithm outperforms strong RAG baselines in retrieval accuracy and reasoning robustness. Code: https://github.com/7HHHHH/AtomicRAG.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of ``slow thinking" into multimodal large language models (MLLMs). Contrary to existing methods that rely on direct or fast thinking, our key idea is to construct long chains of thought (CoT) consisting of atomic actions in a step-by-step manner, guiding MLLMs to perform complex reasoning. To this end, we design a novel AtomThink framework composed of three key modules: (i) a CoT annotation engine that automatically generates high-quality CoT annotations to address the lack of high-quality visual mathematical data; (ii) an atomic step fine-tuning strategy that jointly optimizes an MLLM and a policy reward model (PRM) for step-wise reasoning; and (iii) four different search strategies that can be applied with the PRM to complete reasoning. Additionally, we propose AtomMATH, a large-scale multimodal dataset of long CoTs, and an atomic capability evaluation metric for mathematical tasks. Extensive experimental results show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving approximately 50\% relative accuracy gains on MathVista and 120\% on MathVerse. To support the advancement of multimodal slow-thinking models, we will make our code and dataset publicly available on https://github.com/Quinn777/AtomThink.

The mechanism by which RL contributes to reasoning capabilities-whether it incentivizes the synthesis of new skills or merely amplifies existing behaviors-remains a subject of intense debate. In this work, we investigate this question through the lens of Complementary Reasoning, a complex task that requires integrating internal parametric knowledge with external contextual information. Using a controlled synthetic dataset of human biographies, we strictly decouple this ability into two atomic skills: Parametric Reasoning (relying on internal knowledge) and Contextual Reasoning (depending on external information). To rigorously assess capability boundaries, we evaluate generalization across three distinct levels of difficulty: I.I.D., Composition, and Zero-shot settings. We find that while SFT is sufficient for in-distribution performance, it struggles with O.O.D. generalization, particularly in Zero-shot settings where relational combinations are novel. Crucially, we identify the SFT Generalization Paradox: Models supervised solely on the composite task achieve near-perfect in-distribution accuracy but collapse on out-of-distribution generalization, indicating their reliance on rote memorization of path shortcuts. In contrast, we find that RL acts as a reasoning synthesizer rather than a probability amplifier. However, we uncover a strict atomic prerequisite: RL can only synthesize these complex strategies if the base model has first mastered the independent atomic skills (Parametric and Contextual) via SFT. These findings challenge the view of RL as a mere amplifier, suggesting that given sufficient atomic foundations, RL can actively synthesize complex reasoning strategies from learned primitives without explicit supervision on such complex strategies. This indicates that decoupled atomic training followed by RL offers a scalable path to generalization for complex reasoning tasks.

Large language models (LLMs) exhibit remarkable problem-solving abilities, but struggle with complex tasks due to static internal knowledge. Retrieval-Augmented Generation (RAG) enhances access to external information, yet remains limited in multi-hop reasoning and strategic search due to rigid workflows. Recent advancements in agentic deep research empower LLMs to autonomously reason, search, and synthesize information. However, current approaches relying on outcome-based reinforcement learning (RL) face critical issues such as conflicting gradients and reward sparsity, limiting performance gains and training efficiency. To address these, we first propose Atomic Thought, a novel LLM thinking paradigm that decomposes reasoning into fine-grained functional units. These units are supervised by Reasoning Reward Models (RRMs), which provide Atomic Thought Rewards (ATR) for fine-grained guidance. Building on this, we propose Atom-Searcher, a novel RL framework for agentic deep research that integrates Atomic Thought and ATR. Atom-Searcher uses a curriculum-inspired reward schedule, prioritizing process-level ATR early and transitioning to outcome rewards, accelerating convergence on effective reasoning paths. Experiments on seven benchmarks show consistent improvements over the state-of-the-art. Key advantages include: (1) Atom-Searcher scales computation at test-time. (2) Atomic Thought provides supervision anchors for RRMs, bridging deep research tasks and RRMs. (3) Atom-Searcher exhibits more interpretable, human-like reasoning patterns.

Large Language Models (LLMs) achieve superior performance through training-time scaling, and test-time scaling further enhances their capabilities by conducting effective reasoning during inference. However, as the scale of reasoning increases, existing test-time scaling methods suffer from accumulated historical information, which not only wastes computational resources but also interferes with effective reasoning. To address this issue, we observe that complex reasoning progress is often achieved by solving a sequence of independent subquestions, each being self-contained and verifiable. These subquestions are essentially atomic questions, relying primarily on their current state rather than accumulated history, similar to the memoryless transitions in a Markov process. Based on this observation, we propose Atom of Thoughts (AoT), where each state transition in the reasoning process consists of decomposing the current question into a dependency-based directed acyclic graph and contracting its subquestions, forming a new atomic question state. This iterative decomposition-contraction process continues until reaching directly solvable atomic questions, naturally realizing Markov transitions between question states. Furthermore, these atomic questions can be seamlessly integrated into existing test-time scaling methods, enabling AoT to serve as a plug-in enhancement for improving reasoning capabilities. Experiments across six benchmarks demonstrate the effectiveness of AoT both as a standalone framework and a plug-in enhancement. Notably, on HotpotQA, when applied to gpt-4o-mini, AoT achieves an 80.6% F1 score, surpassing o3-mini by 3.4% and DeepSeek-R1 by 10.6%. The code will be available at https://github.com/qixucen/atom.

We provide here a dataset for tasks related to natural language understanding and natural language inference. The dataset contains logical puzzles in natural language from three domains: comparing puzzles, knighs and knaves, and zebra puzzles. Each puzzle is associated with the entire set of atomic questions that can be generated based on the relations and individuals occurring in the text. For each question we provide the correct answer: entailment, contradiction or ambiguity. The answer's correctness is verified against theorem provers. Good puzzles have two properties: (i) each piece of information is necessary and (ii) no unnecessary information is provided. These properties make puzzles interesting candidates for machine comprehension tasks.

We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering near SoTA performance across a range of evaluations with a >10x reduction in latency and > 8x reduction in memory. Our experiments systematically traverse this frontier, charting the trade-off induced by roto-equivariance, conservatism and graph sparsity. Contrary to recent literature, we find that non-equivariant, non-conservative architectures can accurately model physical properties, including those which require higher-order derivatives of the potential energy surface. This model release is guided by the principle that the most valuable foundation models for atomic simulation will excel on all fronts: accuracy, latency and system size scalability. The reward for doing so is a new era of computational chemistry driven by high-throughput and mesoscale all-atom simulations.

Agent skills adapt frozen models through editable external instructions. Revising several rules at once makes changes difficult to inspect, while judging each local edit only by its immediate score can discard useful intermediate states. We introduce AtomSearch, which keeps revision actions local while using subsequent skill states to guide search. Contrastive atomic editing links each primitive rule edit to failed and successful executions, a behavioral hypothesis, and an intended scope. Skill-State Tree Search (STS) evaluates short edit compositions and selectively retains them as executable states that can be revisited and extended. Outcome memory supplies later proposals with observed repair and regression statistics. We evaluate AtomSearch across four tasks and five target models. With deepseek-v4-flash, it exceeds SkillOpt on three of four tasks, including a 9.68-percentage-point gain on LiveMathematicianBench, and SkillOpt's final skills contain 2.3-19.7 times as many characters. In 67% of completed searches, the best validation state passes through an ancestor that was not highest-scoring at its depth. These results show how local rule edits can support the exploration of useful revision paths and yield compact skills, with additional offline evaluations used to explore alternative states.

Machine intelligence is often evaluated through abstract reasoning problems, yet many real-world problems are visual, such as arranging objects, repairing layouts, or tracing routes. Solving these problems requires understanding a scene, inferring what must change to achieve a goal, and realizing that change without disturbing unrelated content. However, existing benchmarks mainly evaluate perception, generation, or explicitly specified transformations, leaving goal-driven visual problem solving underexplored. To bridge this gap, we introduce SolveEpIT, a benchmark for visual problem solving through scene transformation. Given an image and a goal, a model must infer a valid transformation from the request, the scene, or a visually expressed rule, then execute it while preserving unrelated content. SoLvEEDrr contains 2,728 cases. Atomic transition contracts specify required and protected conditions, enabling SoLvEScoRE to measure completion and unintended changes without a single reference output. The strongest evaluated model achieves only57.0% SolvEScore. We further introduce SolveEdiT-PLAN, a two-stage visual planner that instantiates the transition before generation. Under matched single-generation evaluation, it improves SoLvEScoRE by 9.1 points on average across three tested generators, including a gain from 57.0% to 71.6% for GPT-Image-2, without modifying the editor.

Long-context reasoning is essential for complex real-world applications, yet remains a significant challenge for Large Language Models (LLMs). Despite the rapid evolution in long-context reasoning, current research often overlooks the internal complexity of the long-context reasoning task itself. In this paper, we move beyond this holistic view and decompose long-context reasoning into a set of fundamental atomic skills, and we then automatically synthesize a suite of pseudo datasets, each explicitly targeting a specific atomic skill. Our empirical analysis confirms that proficiency in these atomic skills is strongly correlated with general long-text reasoning performance. Building on this insight, we employ reinforcement learning on these pseudo datasets to sharpen the model's atomic skills, in the hope of boosting its general long-context reasoning ability. Extensive experiments across multiple benchmarks demonstrate the effectiveness of our approach: it outperforms a strong baseline by an average margin of 7.7\% (improving from 46.3\% to 54.0\%) across Loogle, Loong, LongBench-v2, BrowscompLong, Ruler-qa2, and MRCR.

Scientific texts often convey authority due to their technical language and complex data. However, this complexity can sometimes lead to the spread of misinformation. Non-experts are particularly susceptible to misleading claims based on scientific tables due to their high information density and perceived credibility. Existing table claim verification models, including state-of-the-art large language models (LLMs), often struggle with precise fine-grained reasoning, resulting in errors and a lack of precision in verifying scientific claims. Inspired by Cognitive Load Theory, we propose that enhancing a model's ability to interpret table-based claims involves reducing cognitive load by developing modular, reusable reasoning components (i.e., atomic skills). We introduce a skill-chaining schema that dynamically composes these skills to facilitate more accurate and generalizable reasoning with a reduced cognitive load. To evaluate this, we create SciAtomicBench, a cross-domain benchmark with fine-grained reasoning annotations. With only 350 fine-tuning examples, our model trained by atomic reasoning outperforms GPT-4o's chain-of-thought method, achieving state-of-the-art results with far less training data.

We introduce PHYSICS, a comprehensive benchmark for university-level physics problem solving. It contains 1297 expert-annotated problems covering six core areas: classical mechanics, quantum mechanics, thermodynamics and statistical mechanics, electromagnetism, atomic physics, and optics. Each problem requires advanced physics knowledge and mathematical reasoning. We develop a robust automated evaluation system for precise and reliable validation. Our evaluation of leading foundation models reveals substantial limitations. Even the most advanced model, o3-mini, achieves only 59.9% accuracy, highlighting significant challenges in solving high-level scientific problems. Through comprehensive error analysis, exploration of diverse prompting strategies, and Retrieval-Augmented Generation (RAG)-based knowledge augmentation, we identify key areas for improvement, laying the foundation for future advancements.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of "slow thinking" into multimodal large language models (MLLMs). Our core idea is that different levels of reasoning abilities can be combined dynamically to tackle questions with different complexity. To this end, we propose a paradigm of Self-structured Chain of Thought (SCoT), which is composed of minimal semantic atomic steps. Different from existing methods that rely on structured templates or free-form paradigms, our method can not only generate cognitive CoT structures for various complex tasks but also mitigates the phenomenon of overthinking. To introduce structured reasoning capabilities into visual understanding models, we further design a novel AtomThink framework with four key modules, including (i) a data engine to generate high-quality multimodal reasoning paths; (ii) a supervised fine-tuning process with serialized inference data; (iii) a policy-guided multi-turn inference method; and (iv) an atomic capability metric to evaluate the single step utilization rate. We conduct extensive experiments to show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving more than 10\% average accuracy gains on MathVista and MathVerse. Compared to state-of-the-art structured CoT approaches, our method not only achieves higher accuracy but also improves data utilization by 5 times and boosts inference efficiency by 85.3\%. Our code is now public available in https://github.com/Quinn777/AtomThink.

Recent advancements in large language models (LLMs) have led to significant improvements in various natural language processing tasks, but it is still challenging for LLMs to perform knowledge-intensive complex question answering due to LLMs' inefficacy in reasoning planning and the hallucination problem. A typical solution is to employ retrieval-augmented generation (RAG) coupled with chain-of-thought (CoT) reasoning, which decomposes complex questions into chain-like sub-questions and applies iterative RAG at each sub-question. However, prior works exhibit sub-optimal reasoning planning and overlook dynamic knowledge retrieval from heterogeneous sources. In this paper, we propose AtomR, a novel heterogeneous knowledge reasoning framework that conducts multi-source reasoning at the atomic level. Drawing inspiration from the graph modeling of knowledge, AtomR leverages large language models (LLMs) to decompose complex questions into combinations of three atomic knowledge operators, significantly enhancing the reasoning process at both the planning and execution stages. We also introduce BlendQA, a novel evaluation benchmark tailored to assess complex heterogeneous knowledge reasoning. Experiments show that AtomR significantly outperforms state-of-the-art baselines across three single-source and two multi-source reasoning benchmarks, with notable performance gains of 9.4% on 2WikiMultihop and 9.5% on BlendQA.

The two most influential cognitive architecture frameworks for AI agents, CoALA [21] and JEPA [12], both lack an explicit Knowledge layer with its own persistence semantics. This gap produces a category error: systems apply cognitive decay to factual claims, or treat facts and experiences with identical update mechanics. We survey persistence semantics across existing memory systems and identify eight convergence points, from Karpathy's LLM Knowledge Base [10] to the BEAM benchmark's near-zero contradiction-resolution scores [22], all pointing to related architectural gaps. We propose a four-layer decom position (Knowledge, Memory, Wisdom, Intelligence) where each layer has fundamentally different persistence semantics: indefinite supersession, Ebbinghaus decay, evidence-gated revision, and ephemeral inference respectively. Companion implementations in Python and Rust demonstrate the architectural separation is feasible. We borrow terminology from cognitive science as a useful analogy (the Knowledge/Memory distinction echoes Tulving's trichotomy), but our layers are engineering constructs justified by persistence-semantics requirements, not by neural architecture. We argue that these distinctions demand distinct persistence semantics in engineering implementations, and that no current framework or system provides this.

Evaluating the factuality of long-form text generated by large language models (LMs) is non-trivial because (1) generations often contain a mixture of supported and unsupported pieces of information, making binary judgments of quality inadequate, and (2) human evaluation is time-consuming and costly. In this paper, we introduce FActScore (Factual precision in Atomicity Score), a new evaluation that breaks a generation into a series of atomic facts and computes the percentage of atomic facts supported by a reliable knowledge source. We conduct an extensive human evaluation to obtain FActScores of people biographies generated by several state-of-the-art commercial LMs -- InstructGPT, ChatGPT, and the retrieval-augmented PerplexityAI -- and report new analysis demonstrating the need for such a fine-grained score (e.g., ChatGPT only achieves 58%). Since human evaluation is costly, we also introduce an automated model that estimates FActScore, using retrieval and a strong language model, with less than a 2% error rate. Finally, we use this automated metric to evaluate 6,500 generations from a new set of 13 recent LMs that would have cost $26K if evaluated by humans, with various findings: GPT-4 and ChatGPT are more factual than public models, and Vicuna and Alpaca are some of the best public models.

Conversational agents are increasingly deployed in knowledge-intensive settings, where correct behavior depends on retrieving and applying domain-specific knowledge from large, proprietary, and unstructured corpora during live interactions with users. Yet most existing benchmarks evaluate retrieval or tool use independently of each other, creating a gap in realistic, fully agentic evaluation over unstructured data in long-horizon interactions. We introduce τ-Knowledge, an extension of τ-Bench for evaluating agents in environments where success depends on coordinating external, natural-language knowledge with tool outputs to produce verifiable, policy-compliant state changes. Our new domain, τ-Banking, models realistic fintech customer support workflows in which agents must navigate roughly 700 interconnected knowledge documents while executing tool-mediated account updates. Across embedding-based retrieval and terminal-based search, even frontier models with high reasoning budgets achieve only sim25.5% pass^1, with reliability degrading sharply over repeated trials. Agents struggle to retrieve the correct documents from densely interlinked knowledge bases and to reason accurately over complex internal policies. Overall, τ-Knowledge provides a realistic testbed for developing agents that integrate unstructured knowledge in human-facing deployments.

Integrating web search tools has significantly extended the capability of LLMs to address open-world, real-time, and long-tail problems. However, evaluating these Search Agents presents formidable challenges. First, constructing high-quality deep search benchmarks is prohibitively expensive, while unverified synthetic data often suffers from unreliable sources. Second, static benchmarks face dynamic obsolescence: as internet information evolves, complex queries requiring deep research often degrade into simple retrieval tasks due to increased popularity, and ground truths become outdated due to temporal shifts. Third, attribution ambiguity confounds evaluation, as an agent's performance is often dominated by its parametric memory rather than its actual search and reasoning capabilities. Finally, reliance on specific commercial search engines introduces variability that hampers reproducibility. To address these issues, we propose a novel framework, Mind-ParaWorld, for evaluating Search Agents in a Parallel World. Specifically, MPW samples real-world entity names to synthesize future scenarios and questions situated beyond the model's knowledge cutoff. A ParaWorld Law Model then constructs a set of indivisible Atomic Facts and a unique ground-truth for each question. During evaluation, instead of retrieving real-world results, the agent interacts with a ParaWorld Engine Model that dynamically generates SERPs grounded in these inviolable Atomic Facts. We release MPW-Bench, an interactive benchmark spanning 19 domains with 1,608 instances. Experiments across three evaluation settings show that, while search agents are strong at evidence synthesis given complete information, their performance is limited not only by evidence collection and coverage in unfamiliar search environments, but also by unreliable evidence sufficiency judgment and when-to-stop decisions-bottlenecks.

Knowledge editing techniques promise to implant new factual knowledge into large language models (LLMs). But do LLMs really believe these facts? We develop a framework to measure belief depth and use it to evaluate the success of knowledge editing techniques. We operationalize belief depth as the extent to which implanted knowledge 1) generalizes to related contexts (e.g. Fermi estimates several logical steps removed), 2) is robust to self-scrutiny and direct challenge, and 3) is represented similarly to genuine knowledge (as measured by linear probes). Our evaluations show that simple prompting and mechanistic editing techniques fail to implant knowledge deeply. In contrast, Synthetic Document Finetuning (SDF) - where models are trained on LLM-generated documents consistent with a fact - often succeeds at implanting beliefs that behave similarly to genuine knowledge. However, SDF's success is not universal, as implanted beliefs that contradict basic world knowledge are brittle and representationally distinct from genuine knowledge. Overall, our work introduces measurable criteria for belief depth and enables the rigorous evaluation necessary for deploying knowledge editing in real-world applications.

Continual learning treats degradation on previously seen data as evidence of failure, a convention inherited from settings with a stationary prediction target, where a correct label remains correct indefinitely. World models do not satisfy this condition. Their prediction target is the environment, which changes, so knowledge that was accurate when acquired may later become false, and discarding it is required behavior rather than a defect. Non-stationary ground truth is well studied in the concept drift literature and in the temporal factuality of language models, but has not been formulated for world models, which are distinctive in that they also encode knowledge that must never be revised. We argue that continual world models require retention stratified by invariance timescale, separating invariants such as physics and object permanence, which must never be revised, from instance-level facts that should be revised as soon as the environment changes. Standard forgetting metrics cannot distinguish a world model that has correctly revised outdated knowledge from one that has suffered catastrophic forgetting, and consequently rank a frozen model highest, while existing physical-reasoning benchmarks evaluate only frozen checkpoints. We propose differential retention, which reports invariant regression testing across the adaptation stream jointly with revision latency, without aggregation.

Can AI agents organize scientific investigations that lead to well-supported conclusions? To evaluate this capability, we introduce PhysClosureBench, a benchmark of 50 expert-verified, goal-specified research tasks spanning strong-field, attosecond, and neighboring physics areas. Each task specifies the research objective and essential scientific constraints, while leaving the agent to organize the investigation and determine how to generate and validate the evidence needed to answer the question. A 20-criterion Atomic Score measures local scientific accomplishment, while Research Closure (RC0--RC4) assesses how fully the investigation resolves the specified research question based on whether its indispensable evidence requirements and applicable scope conditions are satisfied. We evaluate seven frontier LLMs, where Claude-Opus-5 achieves the highest mean Atomic Score (6.29/10) but reaches RC4 in only 32.7% of attempts. Across the benchmark, 36.2% of attempts scoring at least 8/10 still fall short of RC4, while all seven models reach RC4 on substantially fewer tasks in all three runs than in at least one. Case-level analysis further illustrates how misinterpretation of generated results and unresolved physical applicability limits can lead to incomplete closure. Together, these results reveal a persistent gap between AI agents' local scientific accomplishments and their ability to achieve complete research closure.

We present the first comprehensive study on automatic knowledge base construction for two prevalent commonsense knowledge graphs: ATOMIC (Sap et al., 2019) and ConceptNet (Speer et al., 2017). Contrary to many conventional KBs that store knowledge with canonical templates, commonsense KBs only store loosely structured open-text descriptions of knowledge. We posit that an important step toward automatic commonsense completion is the development of generative models of commonsense knowledge, and propose COMmonsEnse Transformers (COMET) that learn to generate rich and diverse commonsense descriptions in natural language. Despite the challenges of commonsense modeling, our investigation reveals promising results when implicit knowledge from deep pre-trained language models is transferred to generate explicit knowledge in commonsense knowledge graphs. Empirical results demonstrate that COMET is able to generate novel knowledge that humans rate as high quality, with up to 77.5% (ATOMIC) and 91.7% (ConceptNet) precision at top 1, which approaches human performance for these resources. Our findings suggest that using generative commonsense models for automatic commonsense KB completion could soon be a plausible alternative to extractive methods.

Current LLM coding agents are predominantly trained on composite benchmarks (e.g., bug fixing), which often leads to task-specific overfitting and limited generalization. To address this, we propose a novel scaling paradigm that shifts the focus from task-level optimization to atomic skill mastery. We first formalize five fundamental atomic skills, code localization, code editing, unit-test generation, issue reproduction, and code review, that serve as the basis vectors for complex software engineering tasks. Compared with composite coding tasks, these atomic skills are more generalizable and composable. Then, we scale coding agents by performing joint RL over atomic skills. In this manner, atomic skills are consistently improved without negative interference or trade-offs between them. Notably, we observe that improvements in these atomic skills generalize well to other unseen composite coding tasks, such as bug-fixing, code refactoring, machine learning engineering, and code security. The observation motivates a new scaling paradigm for coding agents by training with atomic skills. Extensive experiments demonstrate the effectiveness of our proposed paradigm. Notably, our joint RL improves average performance by 18.7% on 5 atomic skills and 5 composite tasks.

We present a suite of 50 unpublished research-level theoretical physics problems with verifiable answers. Without AI assistance, a typical problem in our collection could be solved by a world expert in about a day or less but would take considerably longer for experts in adjacent specialties. We test the ability of off-the-shelf AI agents to tackle these problems autonomously, without human hints. When given access to tools available in a realistic setting, including the ability to search the literature and write scripts for numerical and symbolic work, the best-performing agent, GPT-6-Astra harnessed in Codex, obtains the final answers with a near-perfect accuracy of 98% at an average cost under USD 3 per problem. On average, agents show only small changes in accuracy when denied web search and access to background research papers, suggesting significant memorization of the literature. These results suggest that state-of-the-art agents can accurately perform concrete calculations required across theoretical physics research. We comment on the broader implications of these findings and discuss possible explanations for the current lack of agent-led breakthroughs in theoretical physics despite their outstanding problem-solving abilities.

Molecular representation learning contributes to multiple downstream tasks such as molecular property prediction and drug design. To properly represent molecules, graph contrastive learning is a promising paradigm as it utilizes self-supervision signals and has no requirements for human annotations. However, prior works fail to incorporate fundamental domain knowledge into graph semantics and thus ignore the correlations between atoms that have common attributes but are not directly connected by bonds. To address these issues, we construct a Chemical Element Knowledge Graph (KG) to summarize microscopic associations between elements and propose a novel Knowledge-enhanced Contrastive Learning (KCL) framework for molecular representation learning. KCL framework consists of three modules. The first module, knowledge-guided graph augmentation, augments the original molecular graph based on the Chemical Element KG. The second module, knowledge-aware graph representation, extracts molecular representations with a common graph encoder for the original molecular graph and a Knowledge-aware Message Passing Neural Network (KMPNN) to encode complex information in the augmented molecular graph. The final module is a contrastive objective, where we maximize agreement between these two views of molecular graphs. Extensive experiments demonstrated that KCL obtained superior performances against state-of-the-art baselines on eight molecular datasets. Visualization experiments properly interpret what KCL has learned from atoms and attributes in the augmented molecular graphs. Our codes and data are available at https://github.com/ZJU-Fangyin/KCL.

Large language models (LLMs) have shown promising potential in scientific research, enabling tasks ranging from knowledge retrieval to property prediction. Existing science benchmarks mainly focus on perceptual or knowledge-based tasks, largely ignoring the modelling tasks, a fundamental starting point for any real scientific research. For materials science, constructing and manipulating atomic structures is one of the most creative and least automated steps. In this work, we introduce AtomWorld, a benchmark designed to evaluate the abilities of LLMs on structure modifications. The benchmark includes ten fundamental actions under four widely used modelling categories, enabling verifiable evaluation metrics. We find that Claude Opus 4.6 generally performs the best. While the success rate decreases markedly with increasing modelling complexity, with particularly low success rates (below 12\% for rotation) for operations involving complex spatial relations. Our results suggest that contemporary LLMs are better suited as copilots for materials structure modelling rather than fully unsupervised autonomous scientific agents. Beyond evaluation, AtomWorld also serves as a testbed and playground for developing future structure-aware models, including reinforcement learning and agentic approaches.

Retrieval augmented generation (RAG) reduces hallucinations and factual errors in large language models (LLMs) by conditioning generation on retrieved external knowledge. Recent search agents further cast RAG as an autonomous, multi-turn information-seeking process. However, existing methods often accumulate irrelevant or noisy documents and rely on sparse reinforcement learning signals. We propose Self-Evolving Search, a Self-Evolving Search agent that improves online search behavior through three components, memory purification, atomic query training, and dense rewards. SE-Search follows a Think-Search-Memorize strategy that retains salient evidence while filtering irrelevant content. Atomic query training promotes shorter and more diverse queries, improving evidence acquisition. Dense rewards provide fine-grained feedback that speeds training. Experiments on single-hop and multi-hop question answering benchmarks show that SE-Search-3B outperforms strong baselines, yielding a 10.8 point absolute improvement and a 33.8% relative gain over Search-R1.We will make the code and model weights publicly available upon acceptance.

Large language models (LLMs) demonstrate strong reasoning and generation abilities, but their fixed context windows limit long-term information accumulation and reuse across multi-session interactions. Existing memory-augmented systems often construct memory in a coarse and unstable manner, relying on inefficient memory representations or unstable unconstrained updates. To address these challenges, we propose AtomMem, a long-term memory system designed for value-dense storage and stable memory evolution. AtomMem introduces a Fact Executor, which selectively extracts high value atomic facts from long form interactions to serve as highly efficient memory representations. Subsequently, AtomMem organizes these facts into hierarchical event structures and temporal profiles, capturing coherent episodic contexts and tracking dynamically evolving user attributes over time. During retrieval, the system activates an associative memory graph to connect fragmented memories. Experiments on the LoCoMo benchmark confirm that AtomMem achieves state-of-the-art performance across various reasoning tasks, offering a scalable and economically viable solution for deploying intelligent personalized agents.

Making analogies is fundamental to cognition. Proportional analogies, which consist of four terms, are often used to assess linguistic and cognitive abilities. For instance, completing analogies like "Oxygen is to Gas as <blank> is to <blank>" requires identifying the semantic relationship (e.g., "type of") between the first pair of terms ("Oxygen" and "Gas") and finding a second pair that shares the same relationship (e.g., "Aluminum" and "Metal"). In this work, we introduce a 15K Multiple-Choice Question Answering (MCQA) dataset for proportional analogy completion and evaluate the performance of contemporary Large Language Models (LLMs) in various knowledge-enhanced prompt settings. Specifically, we augment prompts with three types of knowledge: exemplar, structured, and targeted. Our results show that despite extensive training data, solving proportional analogies remains challenging for current LLMs, with the best model achieving an accuracy of 55%. Notably, we find that providing targeted knowledge can better assist models in completing proportional analogies compared to providing exemplars or collections of structured knowledge.

Multi-turn long-horizon planning is critical for foundation model agents, yet how to fundamentally improve it remains unclear. Existing models are trained on uncontrollable and opaque Internet data, making it difficult to identify how planning ability is acquired, shaped, and integrated. To address this challenge, we introduce a unified and controlled multi-turn environment that enables precise control. It allows systematically study long-horizon planning across three stages. (1) Planning ability acquisition during pre-training. We study data format, distribution, and quality. Explicit world model construction through CoT state transition modeling yields stronger long-horizon generalization. Atomic skills alone are insufficient for compositional generalization, whereas a litte long-horizon data works. Moreover, suboptimal trajectories severely impair performance because errors amplify over long horizons. (2) Planning ability shaping via GRPO and OPD post-training. Through mutual information, we distinguish general planning patterns from task-specific planning knowledge. For planning patterns, we identify three application regions of post-training: unnecessary, effective, and unsupported. OPD has a broader effective region than GRPO under low-quality and long-horizon settings, as it provides more consistent update directions. For planning knowledge, distilling unseen procedures from a teacher with different knowledge may impair student's prior world modeling without fully establishing new knowledge. (3) Planning ability integration through MOPD post-training. We show that multi-teacher on-policy distillation (MOPD) integrates capabilities by converging to shared planning-pattern across environments. Compatible patterns enable cross-environment generalization, partially shared patterns support continual learning, while completely conflicting patterns cause severe interference.

Large language models (LLMs) have demonstrated strong reasoning capabilities. Nevertheless, they still suffer from factual errors when tackling knowledge-intensive tasks. Retrieval-augmented reasoning represents a promising approach. However, significant challenges still persist, including inaccurate and insufficient retrieval for complex questions, as well as difficulty in integrating multi-source knowledge. To address this, we propose Beam Aggregation Reasoning, BeamAggR, a reasoning framework for knowledge-intensive multi-hop QA. BeamAggR explores and prioritizes promising answers at each hop of question. Concretely, we parse the complex questions into trees, which include atom and composite questions, followed by bottom-up reasoning. For atomic questions, the LLM conducts reasoning on multi-source knowledge to get answer candidates. For composite questions, the LLM combines beam candidates, explores multiple reasoning paths through probabilistic aggregation, and prioritizes the most promising trajectory. Extensive experiments on four open-domain multi-hop reasoning datasets show that our method significantly outperforms SOTA methods by 8.5%. Furthermore, our analysis reveals that BeamAggR elicits better knowledge collaboration and answer aggregation.

Retrieval-augmented generation (RAG) gives agents access to accumulated knowledge, but has no model of time. When a fact changes (e.g., a function is renamed or API restructured), RAG retrieves both the stale and current value with near-identical embedding similarity. The agent then either abstains or serves the superseded fact. We show this is a structural problem: on a calibrated dataset, cosine similarity distinguishes a contradicted fact from a duplicated one with AUROC 0.59 (near chance), as contradictions are often more embedding-similar to the original than rephrased duplicates. We present MemStrata, a retrieval memory maintaining temporal validity. It stores facts like RAG, preserving static recall, but when a fact's value is contradicted, a deterministic (subject, relation, object) supersession rule retires the stale value in a bi-temporal ledger - with no similarity threshold and no LLM call. Across six benchmarks run locally with a 7B model, MemStrata ties RAG on static knowledge and reaches 0.95-1.00 accuracy on evolving knowledge (where RAG reaches 0.20-0.47). The central result is the stale-fact-error rate: when required to answer, RAG serves superseded values 15-40% of the time; MemStrata drives this to ~0%, a failure class RAG cannot avoid. MemStrata achieves this at retrieval latency (~2.1s) versus ~16-18s for LLM-reranking baselines. We release the harness, datasets, and a marker-free evaluation protocol for memory under knowledge evolution.

A physically motivated equation that determines the number of electrons of a molecule is proposed based on chemical common sense. It shows that all molecules are entangled in the number of electrons and results in the fundamental assumption of molecular energy convexity that underpins molecular quantum mechanics. The proposed physical principle includes the molecular size consistency principle as a special case. Application of wavefunction theory to the principle shows that an individual molecule with a noninteger number of electrons is locally physical albeit locally unreal. The energy of a molecule is piecewise linear with respect to its continuous number of electrons. The continuity of the number of electrons allows the definition of an electronic chemical potential of a single molecule. A state function equivalent to the energy of a molecule can be defined using the chemical potential as a variable. The aforementioned physical principle can alternatively be expressed as a simple additivity with the new state function. The latter also shows that the quantum entanglement in the number of electrons can be viewed as all molecules sharing the same chemical potential.

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. To address the slow convergence of the kappa=pm1 states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10^{-8} Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schr\"odinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

While large language models (LLMs) with reasoning capabilities are progressing rapidly on high-school math competitions and coding, can they reason effectively through complex, open-ended challenges found in frontier physics research? And crucially, what kinds of reasoning tasks do physicists want LLMs to assist with? To address these questions, we present the CritPt (Complex Research using Integrated Thinking - Physics Test, pronounced "critical point"), the first benchmark designed to test LLMs on unpublished, research-level reasoning tasks that broadly covers modern physics research areas, including condensed matter, quantum physics, atomic, molecular & optical physics, astrophysics, high energy physics, mathematical physics, statistical physics, nuclear physics, nonlinear dynamics, fluid dynamics and biophysics. CritPt consists of 71 composite research challenges designed to simulate full-scale research projects at the entry level, which are also decomposed to 190 simpler checkpoint tasks for more fine-grained insights. All problems are newly created by 50+ active physics researchers based on their own research. Every problem is hand-curated to admit a guess-resistant and machine-verifiable answer and is evaluated by an automated grading pipeline heavily customized for advanced physics-specific output formats. We find that while current state-of-the-art LLMs show early promise on isolated checkpoints, they remain far from being able to reliably solve full research-scale challenges: the best average accuracy among base models is only 4.0% , achieved by GPT-5 (high), moderately rising to around 10% when equipped with coding tools. Through the realistic yet standardized evaluation offered by CritPt, we highlight a large disconnect between current model capabilities and realistic physics research demands, offering a foundation to guide the development of scientifically grounded AI tools.

As LLMs generate increasingly long outputs, effective uncertainty estimation must identify errors at fine-grained levels rather than discard entire responses. While such methods exist, evaluating uncertainty at any resolution (token to an entire generation) is challenging and highly sensitive to label imperfections, making zero-noise benchmarks essential; yet, long-form generation benchmarks tend to rely on fallible labels rather than deterministic ground truth. We introduce Single-answer Atomic Long-form Target (SALT), a benchmark of six procedurally generated tasks with single deterministic long textual ground truths, enabling unit-level evaluation of correctness, calibration, and ranking without external judges. Equipped with SALT, our analysis of 50+ LLMs reveals key insights: We identify which confidence functions dominate each uncertainty aspect and show that confidence ranking largely breaks at atomic resolution, even when clearer separability emerges at coarser line-level units. SALT further enables controlled atom-level interventions throughout generation, revealing two separable drivers of future errors: propagation from corrupted prefixes, dominated by global context correctness, and bounded degradation from increasing answer-context length. Finally, we demonstrate that reasoning, via Chain-of-Thought prompting or internalized through training, introduces a trade-off, improving accuracy while degrading confidence ranking. These findings directly impact risk-critical applications requiring reliable error identification and mitigation.

This article presents a review about the main CERN n\_TOF contributions to the field of neutron-capture experiments of interest for s-process nucleosynthesis studies over the last 25 years, with special focus on the measurement of radioactive isotopes. A few recent capture experiments on stable isotopes of astrophysical interest are also discussed. Results on s-process branching nuclei are appropriate to illustrate how advances in detection systems and upgrades in the facility have enabled increasingly challenging experiments and, as a consequence, have led to a better understanding and modeling of the s-process mechanism of nucleosynthesis. New endeavors combining radioactive-ion beams from ISOLDE for the production of radioisotopically pure samples for activation experiments at the new NEAR facility at n\_TOF are briefly discussed. On the basis of these new exciting results, also current limitations of state-of-the-art TOF and activation techniques will be depicted, thereby showing the pressing need for further upgrades and enhancements on both facilities and detection systems. A brief account of the potential technique based on inverse kinematics for direct neutron-capture measurements is also presented.

We present a new knowledge-base of hasPart relationships, extracted from a large corpus of generic statements. Complementary to other resources available, it is the first which is all three of: accurate (90% precision), salient (covers relationships a person may mention), and has high coverage of common terms (approximated as within a 10 year old's vocabulary), as well as having several times more hasPart entries than in the popular ontologies ConceptNet and WordNet. In addition, it contains information about quantifiers, argument modifiers, and links the entities to appropriate concepts in Wikipedia and WordNet. The knowledge base is available at https://allenai.org/data/haspartkb

Atomic-scale simulations have been transformed by machine-learning models that predict the properties of atomistic structures with the accuracy of quantum calculations, but at a small fraction of the cost. These models have increased dramatically in generality, thanks to the availability of synthetic datasets of ever-increasing size and scope. The proliferation of datasets, with properties often computed using different levels of electronic-structure approximation, is problematic, as there is often overlap between different datasets, and strong correlations between structures obtained with short molecular dynamics trajectories or geometry optimization. To address these problems, we introduce a protocol to stratify a dataset into a hierarchy of nested subsets, subsampling from the coarsest to the finest resolution based on an "ecumetric" built to reflect the latent space representation of several popular universal machine-learning interatomic potentials. We then use this approach to combine most of the open structural datasets currently available, consolidating them into MAD-COSMO, a well-organized collection of almost 1.7 billion structures, whose 2^{24} most diverse members form the MAD-CORE stratified coreset, which can be easily used for all sorts of tasks, from exploratory experiments to the training of foundation models at scale. We envision that this collection will guide and help coordinate future efforts, focusing them on the most relevant and/or undersampled regions of chemical and structural space, and that it will be further extended to incorporate the outcomes of the collective work of this community.

Machine-learned interatomic potentials trained across the periodic table have made atomistic simulation broadly accessible, and specializing them to a single compound class is widely expected to improve accuracy. Yet examples remain scarce, and fewer still surpass universal models in speed or reach a higher level of electronic-structure theory. Here we present a potential that is universal within the class of water-free solid-state hydrogen-bond network mediated proton conductors rather than across chemistry and a database of 4.4 million first-principles configurations spanning 55 materials. It surpasses leading general-purpose potentials across this domain, recovering measured activation energies and the ordering of anion rotational dynamics that those models miss; agreement on static structure does not imply agreement on transport. Accuracy falls for compositions far from the training set but stays competitive for close structural relatives, and a higher level of electronic-structure theory is reached with a few hundred additional configurations per material. We further introduce a compact variant carrying a fifth of the parameters, faster still and yet more accurate than every general-purpose model tested. It sustains more than a quarter of a million atoms on a single graphics processor, placing grain boundaries and the transition into the highly conducting phase within reach, and making a quantum treatment of the protons affordable. Reference accuracy and accessible system size thus become largely independent, offering a template for other compound classes.

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.

Precise control over language model generation is vital for ensuring both safety and reliability. Although prompt engineering and steering are commonly used to intervene in model behaviors, the vast number of parameters in models often results in highly intertwined internal representations. This interdependency can limit control precision and sometimes lead to unintended side effects. Recent research has explored the use of sparse autoencoders (SAE) to disentangle knowledge in high-dimensional spaces for steering. However, these applications have been limited to toy tasks owing to the nontrivial issue of locating atomic knowledge components. In this paper, we propose Steering Target Atoms (STA), a novel method that isolates and manipulates disentangled knowledge components to enhance safety. Comprehensive experiments demonstrate the effectiveness of our approach. Further analysis reveals that steering exhibits superior robustness and flexibility, particularly in adversarial scenarios. We also apply the steering strategy to the large reasoning model, confirming its effectiveness in precise reasoning control.

Long-term memory is essential for persistent LLM agents, yet prevailing architectures store historical interactions as unstructured, flat text. This unconstrained storage induces provenance-role collapse, a critical failure mode where agents suffer from source-monitoring errors. To resolve this cognitive vulnerability at the architectural level, we propose MemIR, a typed Memory Intermediate Representation that operationalizes source monitoring as a structural constraint. MemIR writes long-term memory into grounded atoms that separate raw evidence, retrieval cues, and truth-bearing claims, with factual authorization restricted to supported claim atoms. It then applies multi-route atomic projection and provenance-scoped utilization to transform heterogeneous retrieval hits into claim-centered candidate bundles and a normalized fact interface for answer generation. Experiments on LoCoMo and BEAM-100K demonstrate that MemIR consistently outperforms existing memory baselines, especially on tasks requiring source tracking, temporal grounding, and aggregation of fragmented evidence.

The Shannon entropy in the atomic, molecular and chemical physics context is presented by using as test cases the hydrogenic-like atoms H_c, {He_c}^+ and {Li_c}^{2+} confined by an impenetrable spherical box. Novel expressions for entropic uncertainty relation and Shannon entropies S_r and S_p are proposed to ensure their physical dimensionless characteristic. The electronic ground state energy and the quantities S_r, S_p and S_t are calculated for the hydrogenic-like atoms to different confinement radii by using a variational method. The global behavior of these quantities and different conjectures are analyzed. The results are compared, when available, with those previously published.

Large Multimodal Models (LMMs) encode rich factual knowledge via cross-modal pre-training, yet their static representations struggle to maintain an accurate understanding of time-sensitive factual knowledge. Existing benchmarks remain constrained by static designs, inadequately evaluating LMMs' ability to understand time-sensitive knowledge. To address this gap, we propose MINED, a comprehensive benchmark that evaluates temporal awareness along 6 key dimensions and 11 challenging tasks: cognition, awareness, trustworthiness, understanding, reasoning, and robustness. MINED is constructed from Wikipedia by two professional annotators, containing 2,104 time-sensitive knowledge samples spanning six knowledge types. Evaluating 15 widely used LMMs on MINED shows that Gemini-2.5-Pro achieves the highest average CEM score of 63.07, while most open-source LMMs still lack time understanding ability. Meanwhile, LMMs perform best on organization knowledge, whereas their performance is weakest on sport. To address these challenges, we investigate the feasibility of updating time-sensitive knowledge in LMMs through knowledge editing methods and observe that LMMs can effectively update knowledge via knowledge editing methods in single editing scenarios.

Partition logics -- non-Boolean event structures obtained by pasting Boolean algebras -- provide a natural language for situations in which a system has a definite latent state but can be accessed and resolved only through mutually incompatible coarse-grained modes of observation. We show that this structure arises in a range of social-science settings by constructing six explicit examples from personnel assessment, survey framing, clinical diagnosis, espionage coordination, legal pluralism, and organizational auditing. For each case we identify the latent state space, the observational contexts as partitions, and the shared atoms that intertwine contexts, yielding instances of the L_{12} bowtie, triangle, pentagon, and automaton partition logics. These examples make precise a notion of social complementarity: different modes of inquiry can be incompatible even though the underlying system remains fully value-definite. Complementarity in this sense does not entail contextuality or ontic indeterminacy. We further compare the classical probabilities generated by convex mixtures of dispersion-free states with the quantum-like Born probabilities available when the same exclusivity graph admits a faithful orthogonal representation. The framework thus separates logical structure from probabilistic realization and suggests empirically testable benchmarks for quantum-cognition models.

Human knowledge is inherently structured and interdependent: mastery of a concept requires prior mastery of its prerequisites, a principle formalized by Knowledge Space Theory (KST). While LLMs achieve strong performance on complex reasoning tasks, it remains unclear whether they exhibit coherent, human-like knowledge structure. We introduce a KST-grounded framework for evaluating LLM knowledge structure in mathematical reasoning, using it as a normative framework to analyze whether LLM behavior adheres to principled knowledge dependencies. Evaluating eight open- and closed-source LLMs against real human learners, we find that (1) LLMs do not adhere to human knowledge structure -- they frequently violate knowledge dependencies and fail to leverage related knowledge provided in context to improve performance on dependent questions; (2) LLMs do not share a consistent knowledge structure among themselves, as reflected by low overlap in their knowledge distributions. Furthermore, these structural deficiencies remain largely invisible to accuracy-based and LLM-as-judge evaluations. Together, our results provide behavioral evidence that current LLMs knowledge does not follow a human-like structure.

Self-improving AI systems typically treat the agent as the object that improves, by optimizing prompts, workflows, harnesses, or even the agent's own code. This agent-centric view can make improvements expensive to maintain and difficult to transfer, because gains become tied to a particular agent design, task distribution, or adaptation run. We study a complementary paradigm: knowledge-centric self-improvement, in which agents remain generic and disposable while the persistent object is a curated knowledge base that agents can leverage for future tasks. We conduct controlled case studies to operationalize this idea via a simple protocol. Agents attempt one task, then contribute evidence-grounded insights to a shared knowledge base via task-level and cross-task forums, followed by knowledge distillation. Because self-improvement is contained in the knowledge rather than the agent, improvement can be more inspectable, transferable, and portable. Across abstract reasoning, coding, and terminal benchmarks, this protocol improves solve rates while reducing dollar cost relative to agent-centric baselines. The resulting distilled knowledge also transfers to held-out tasks and across LLM families, indicating that the improvement is not merely an LLM- or run-specific behavior. These results support a new view of self-improving agentic systems: progress can be driven primarily by the curated persistent knowledge. Code is available at https://github.com/recursive-knowledge/KSI.

Retrieval augmented language models have recently become the standard for knowledge intensive tasks. Rather than relying purely on latent semantics within the parameters of large neural models, these methods enlist a semi-parametric memory to encode an index of knowledge for the model to retrieve over. Most prior work has employed text passages as the unit of knowledge, which has high coverage at the cost of interpretability, controllability, and efficiency. The opposite properties arise in other methods which have instead relied on knowledge base (KB) facts. At the same time, more recent work has demonstrated the effectiveness of storing and retrieving from an index of Q-A pairs derived from text lewis2021paq. This approach yields a high coverage knowledge representation that maintains KB-like properties due to its representations being more atomic units of information. In this work we push this line of research further by proposing a question-answer augmented encoder-decoder model and accompanying pretraining strategy. This yields an end-to-end system that not only outperforms prior QA retrieval methods on single-hop QA tasks but also enables compositional reasoning, as demonstrated by strong performance on two multi-hop QA datasets. Together, these methods improve the ability to interpret and control the model while narrowing the performance gap with passage retrieval systems.

As LLMs shift toward autonomous agents, Deep Research has emerged as a pivotal metric. However, existing academic benchmarks like BrowseComp often fail to meet real-world demands for open-ended research, which requires robust skills in intent recognition, long-horizon decision-making, and cross-source verification. To address this, we introduce Step-DeepResearch, a cost-effective, end-to-end agent. We propose a Data Synthesis Strategy Based on Atomic Capabilities to reinforce planning and report writing, combined with a progressive training path from agentic mid-training to SFT and RL. Enhanced by a Checklist-style Judger, this approach significantly improves robustness. Furthermore, to bridge the evaluation gap in the Chinese domain, we establish ADR-Bench for realistic deep research scenarios. Experimental results show that Step-DeepResearch (32B) scores 61.4% on Scale AI Research Rubrics. On ADR-Bench, it significantly outperforms comparable models and rivals SOTA closed-source models like OpenAI and Gemini DeepResearch. These findings prove that refined training enables medium-sized models to achieve expert-level capabilities at industry-leading cost-efficiency.

Closed-source frontier labs do not disclose parameter counts. Storing F facts requires at least F/(bits per parameter) weights, so factual recall lower-bounds parameter count--an intrinsic, serving-independent signal, though (as we show) a coarse one. We introduce Incompressible Knowledge Probes (IKPs), a benchmark of 1,400 factual questions spanning 7 tiers of obscurity, designed to isolate knowledge that cannot be derived by reasoning or compressed by architectural improvements. We score with no hallucination penalty (lambda = 0: IKP accuracy is simply the fraction of probed facts answered correctly), which removes both the penalty hyperparameter and the per-tier flooring choice; a full lambda x flooring ablation shows the calibration is robust across scoring choices while individual estimates are not, motivating the no-penalty default. We calibrate a log-linear mapping from IKP accuracy to parameter count on 93 open-weight models (135M-1,600B) spanning 19 vendors, achieving R^2 = 0.910; leave-one-out cross-validation confirms generalization (median fold error 1.48x, 72% within 2x, 86% within 3x). The instrument is deliberately coarse--its 90% prediction interval spans ~3x in either direction, wider than inference economics--so IKP recovers order-of-magnitude effective capacity and relative rankings, not precise parameter counts. For Mixture-of-Experts models, total parameters predict knowledge (R^2 = 0.67) better than active parameters (R^2 = 0.41). We evaluate 201 models from 27 vendors on a curated probe set (1,311 of 1,400 probes surviving name-collision and label-ambiguity filters) and report effective knowledge capacity for all major proprietary frontier models as prediction bands rather than point estimates; for heavily safety-tuned models these are lower bounds, since refusal policy can suppress tens of percentage points of otherwise-answerable capacity.

Many chemical concepts can be well defined in the context of quantum chemical theories. Examples are the electronegativity scale of Mulliken and Jaffe and the hard and soft acids and bases concept of Pearson. The sound theoretical basis allows for a systematic definition of such concepts. However, while they are often used to describe and compare chemical processes in terms of reactivity, their predictive power remains unclear. In this work, we elaborate on the predictive potential of chemical reactivity concepts, which can be crucial for autonomous reaction exploration protocols to guide them by first-principles heuristics that expoit these concepts.

Are LLM-based search agents genuinely searching, or using the web to verify what they already know? We study this question on BrowseComp with three diagnostics. Our analysis reveals Intrinsic Knowledge Dependence (IKD): even with tool access, agents often rely on intrinsic knowledge -- information encoded in the model before retrieval -- rather than on external evidence. Agents answer up to 44.5% of BrowseComp questions without tools, generate more than half of their search queries from internally produced hypotheses rather than retrieved leads, and perform worse than closed-book baselines when answer-supporting evidence is removed. These results suggest that static search benchmarks can reward memory-backed verification rather than evidence-driven discovery, conflating what agents already know with what they can find. We then introduce LiveBrowseComp, a deep-search benchmark designed to evaluate agents beyond intrinsic coverage. It contains 335 human-authored questions whose answers depend on facts published within the 90 days preceding benchmark construction, drawn from six updated sources and filtered to exclude globally salient events. On LiveBrowseComp, all evaluated agents fall below 2% closed-book accuracy, search-augmented scores drop by 25-40 points relative to BrowseComp, and prior model rankings no longer reliably predict performance. LiveBrowseComp is available at https://huggingface.co/datasets/Forival/LiveBrowseComp.

In this work, we describe strategies and provide case-study activities that can be used to examine the properties of superposition, entanglement, tagging, complementarity, and measurement in quantum curricula geared for teacher training. Having a solid foundation in these conceptual ideas is critical for educators who will be adopting quantum ideas within the classroom. Yet they are some of the most difficult concepts to master. We show how one can systematically develop these conceptual foundations with thought experiments on light and with thought experiments that employ the Stern-Gerlach experiment. We emphasize the importance of computer animations in aiding the instruction on these concepts.

The rapid expansion of scientific literature far outpaces the speed of manual curation, creating a fundamental bottleneck in extracting structured knowledge from scientific texts. To address this, we introduce an agentic, ontology-guided framework for knowledge graph (KG) construction. Our framework utilizes specialized agents for document understanding, information extraction, ontology conformance, and entity linking. First, an LLM extracts factual knowledge in the form of triples with explicit textual evidence from research papers. Then the triplets undergo a multistage verification process to ground the triplets in the ontology. By enforcing schema constraints and requiring evidence in the form of text fragments, we ensure the data is both semantically consistent and traceable. In an agreement study over 1,000 extracted triplets, Gemini-2.5-flash achieves Cohen's κ scores of 0.640--0.700 against three human annotators, matching the human--human agreement range of 0.616--0.689. We applied this framework to 2,000 scientific publications and construct a novel, ontology-grounded KG for climate science with 133,990 nodes and 755,308 relations; of the 23,327 triplets that the publications contribute after validation, 98.96\% are judged correct. The pipeline code and KG is publicly available https://github.com/aayushacharya/climatekg.

Fact-checking long-form text is challenging, and it is therefore common practice to break it down into multiple atomic claims. The typical approach to fact-checking these atomic claims involves retrieving a fixed number of pieces of evidence, followed by a verification step. However, this method is usually not cost-effective, as it underutilizes the verification model's internal knowledge of the claim and fails to replicate the iterative reasoning process in human search strategies. To address these limitations, we propose FIRE, a novel agent-based framework that integrates evidence retrieval and claim verification in an iterative manner. Specifically, FIRE employs a unified mechanism to decide whether to provide a final answer or generate a subsequent search query, based on its confidence in the current judgment. We compare FIRE with other strong fact-checking frameworks and find that it achieves slightly better performance while reducing large language model (LLM) costs by an average of 7.6 times and search costs by 16.5 times. These results indicate that FIRE holds promise for application in large-scale fact-checking operations. Our code is available at https://github.com/mbzuai-nlp/fire.git.

Large language model (LLM) agents increasingly operate over evolving software repositories, where success depends on repository-specific procedural knowledge: which APIs to call, which scripts to run, and which conventions the current release expects. Agent skills externalize this knowledge into reusable units, and prior work shows that they can improve agent performance. What remains unclear is whether that improvement is durable. The same version specificity that makes a skill useful also makes it fragile: after a release, it may become stale without raising any explicit signal, while continuing to provide obsolete guidance. Externalizing knowledge into a skill can therefore make its decay invisible. We study whether agents can keep this externalized knowledge current. Repo2Skill-Evo casts each release transition as a skill-maintenance task: given a V1 skill set and the official V1-to-V2 patch, an agent must update obsolete skill content while preserving guidance that remains valid. Across 57 real-world repositories and 105 selected release transitions, every evaluated transition invalidates part of the V1 skill set. Yet six frontier agents reach only 29.9%-69.7% avg@3 macro F1 under a patch-grounded removal metric that balances stale-content recall against over-editing precision. Across runs, two opposing errors dominate: incomplete coverage of affected files in the skill set leaves stale content untouched, while overbroad editing is associated with higher recall but lower precision. Repository skills go stale in silence, and even frontier agents cannot reliably maintain them.

The common practice for training commonsense models has gone from-human-to-corpus-to-machine: humans author commonsense knowledge graphs in order to train commonsense models. In this work, we investigate an alternative, from-machine-to-corpus-to-machine: general language models author these commonsense knowledge graphs to train commonsense models. Our study leads to a new framework, Symbolic Knowledge Distillation. As with prior art in Knowledge Distillation (Hinton et al., 2015), our approach uses larger models to teach smaller models. A key difference is that we distill knowledge symbolically-as text-in addition to the neural model. We also distill only one aspect-the commonsense of a general language model teacher, allowing the student to be a different type, a commonsense model. Altogether, we show that careful prompt engineering and a separately trained critic model allow us to selectively distill high-quality causal commonsense from GPT-3, a general language model. Empirical results demonstrate that, for the first time, a human-authored commonsense knowledge graph is surpassed by our automatically distilled variant in all three criteria: quantity, quality, and diversity. In addition, it results in a neural commonsense model that surpasses the teacher model's commonsense capabilities despite its 100x smaller size. We apply this to the ATOMIC resource, and share our new symbolic knowledge graph and commonsense models.

Enterprise software organizations accumulate critical institutional knowledge - architectural decisions, deployment procedures, compliance policies, incident playbooks - yet this knowledge remains trapped in formats designed for human interpretation. The bottleneck to effective agentic software development is not model capability but knowledge architecture. When any knowledge consumer - an autonomous AI agent, a newly onboarded engineer, or a senior developer - encounters an enterprise task without institutional context, the result is guesswork, correction cascades, and a disproportionate tax on senior engineers who must manually supply what others cannot infer. This paper introduces Knowledge Activation, a framework that specializes AI Skills - the open standard for agent-consumable knowledge - into structured, governance-aware Atomic Knowledge Units (AKUs) for institutional knowledge delivery. Rather than retrieving documents for interpretation, AKUs deliver action - ready specifications encoding what to do, which tools to use, what constraints to respect, and where to go next - so that agents act correctly and engineers receive institutionally grounded guidance without reconstructing organizational context from scratch. AKUs form a composable knowledge graph that agents traverse at runtime - compressing onboarding, reducing cross - team friction, and eliminating correction cascades. The paper formalizes the resource constraints that make this architecture necessary, specifies the AKU schema and deployment architecture, and grounds long - term maintenance in knowledge commons practice. Organizations that architect their institutional knowledge for the agentic era will outperform those that invest solely in model capability.

System design is often taught through domain-specific solutions specific to particular domains, such as databases, operating systems, or computer architecture, each with its own methods and vocabulary. While this diversity is a strength, it can obscure cross-cutting principles that recur across domains. This paper proposes a preliminary "periodic table" of system design principles distilled from several domains in computer systems. The goal is a shared, concise vocabulary that helps students, researchers, and practitioners reason about structure and trade-offs, compare designs across domains, and communicate choices more clearly. For supporting materials and updates, please refer to the repository at: https://github.com/jarulraj/periodic-table.

Neutral atoms are a promising platform for quantum science, enabling advances in areas ranging from quantum simulations and computation to metrology, atomic clocks and quantum networking. While atom losses typically limit these systems to a pulsed mode, continuous operation could substantially enhance cycle rates, remove bottlenecks in metrology, and enable deep-circuit quantum evolution through quantum error correction. Here we demonstrate an experimental architecture for high-rate reloading and continuous operation of a large-scale atom-array system while realizing coherent storage and manipulation of quantum information. Our approach utilizes a series of two optical lattice conveyor belts to transport atom reservoirs into the science region, where atoms are repeatedly extracted into optical tweezers without affecting the coherence of qubits stored nearby. Using a reloading rate of 300,000 atoms in tweezers per second, we create over 30,000 initialized qubits per second, which we leverage to assemble and maintain an array of over 3,000 atoms for more than 2 hours. Furthermore, we demonstrate persistent refilling of the array with atomic qubits in either a spin-polarized or a coherent superposition state while preserving the quantum state of stored qubits. Our results pave the way for the realization of large-scale continuously operated atomic clocks, sensors, and fault-tolerant quantum computers.

Most scientific materials compress reasoning, presenting conclusions while omitting the derivational chains that justify them. This compression hinders verification by lacking explicit, step-wise justifications and inhibits cross-domain links by collapsing the very pathways that establish the logical and causal connections between concepts. We introduce a scalable framework that decompresses scientific reasoning, constructing a verifiable Long Chain-of-Thought (LCoT) knowledge base and projecting it into an emergent encyclopedia, SciencePedia. Our pipeline operationalizes an endpoint-driven, reductionist strategy: a Socratic agent, guided by a curriculum of around 200 courses, generates approximately 3 million first-principles questions. To ensure high fidelity, multiple independent solver models generate LCoTs, which are then rigorously filtered by prompt sanitization and cross-model answer consensus, retaining only those with verifiable endpoints. This verified corpus powers the Brainstorm Search Engine, which performs inverse knowledge search -- retrieving diverse, first-principles derivations that culminate in a target concept. This engine, in turn, feeds the Plato synthesizer, which narrates these verified chains into coherent articles. The initial SciencePedia comprises approximately 200,000 fine-grained entries spanning mathematics, physics, chemistry, biology, engineering, and computation. In evaluations across six disciplines, Plato-synthesized articles (conditioned on retrieved LCoTs) exhibit substantially higher knowledge-point density and significantly lower factual error rates than an equally-prompted baseline without retrieval (as judged by an external LLM). Built on this verifiable LCoT knowledge base, this reasoning-centric approach enables trustworthy, cross-domain scientific synthesis at scale and establishes the foundation for an ever-expanding encyclopedia.

While accurately detecting and correcting factual contradictions in language model outputs has become increasingly important as their capabilities improve, doing so is highly challenging. We propose a novel method, FACTTRACK, for tracking atomic facts and addressing factual contradictions. Crucially, FACTTRACK also maintains time-aware validity intervals for each fact, allowing for change over time. At a high level, FACTTRACK consists of a four-step pipeline to update a world state data structure for each new event: (1) decompose the event into directional atomic facts; (2) determine the validity interval of each atomic fact using the world state; (3) detect contradictions with existing facts in the world state; and finally (4) add new facts to the world state and update existing atomic facts. When we apply FACTTRACK to contradiction detection on structured story outlines, we find that FACTTRACK using LLaMA2-7B-Chat substantially outperforms a fair baseline using LLaMA2-7B-Chat, and achieves performance comparable to a GPT4 baseline. Moreover, when using GPT4, FACTTRACK significantly outperforms the GPT4 baseline.

Long-term memory systems store what a user says in an external store and retrieve it when a related query arrives. This interface rests on an assumption so natural that it is rarely stated: a memory that is needed will resemble the query that needs it. World knowledge breaks the assumption. A tree-nut allergy should change the answer to a macaron request through their almond-flour ingredient, yet the two texts share no cue a retriever can see. We call this failure mode the implicit-association blind spot and introduce InMind, a 125-task, expert-verified benchmark spanning ten life domains, with 113 tasks grounded in citable public sources. Its paired controls separate three explanations that existing evaluations conflate: the fact was never stored, the model lacks the bridging knowledge, or the fact was stored and never surfaced. The verdict is clean. With the decisive memory placed in context, the backbone answers 84.0 percent of indirect queries; when the same memory must be retrieved, six vector, graph, and agentic memory systems reach at most 14.4 percent, even though they recall the same facts on demand at up to 100 percent. An embedding with eight times the dimensionality raises answer-blind target recall for every system yet leaves the gap essentially intact. A minimal diagnostic probe that keeps memory visible before the query arrives recovers most of the gap, locating the failure in the query-conditioned interface itself and pointing to routing, deciding which facts must stay visible, as the open problem InMind is built to score.

Training multimodal search agents to perform multi-hop reasoning remains challenging due to a fundamental structural disconnect: existing pipelines construct training data, search environments, and reward signals independently, causing synthesized structural metadata to be discarded, environments to rely on irreproducible external engines, and RL rewards to remain sparse at the trajectory level. We present SearchEyes, which uses a typed knowledge graph as the backbone of a simulated search world that unifies all three components. We propose Perception-Knowledge Chains (PKC) to sample constrained multi-hop paths over the visual-knowledge intersection of Wikidata5M, retaining hop-level entity metadata that simultaneously defines a self-contained search world and step-level reward anchors. We further propose Hop-Anchored Policy Optimization (HaPO), which reuses these anchors for step-level credit assignment without a separately trained process reward model. Experiments on six multimodal knowledge-intensive benchmarks show that SearchEyes achieves state-of-the-art performance among open-source multimodal search agents, with SearchEyes-27B improving over the strongest open-source baseline by 6.2 points on average.%

Bold claims about AI's role in science-from "AGI will cure all diseases" to promises of radically accelerated discovery-raise a central epistemic question: do large language models (LLMs) truly generate new knowledge, or do they merely remix memorized fragments? We propose unlearning-as-ablation as a falsifiable probe of constructive scientific discovery. The idea is to systematically remove a target result together with its forget-closure (supporting lemmas, paraphrases, and multi-hop entailments) and then evaluate whether the model can re-derive the result from only permitted axioms and tools. Success would indicate generative capability beyond recall; failure would expose current limits. Unlike prevailing motivations for unlearning-privacy, copyright, or safety-our framing repositions it as an epistemic probe for AI-for-Science. We outline a minimal pilot in mathematics and algorithms to illustrate feasibility, and sketch how the same approach could later be extended to domains such as physics or chemistry. This is a position paper: our contribution is conceptual and methodological, not empirical. We aim to stimulate discussion on how principled ablation tests could help distinguish models that reconstruct knowledge from those that merely retrieve it, and how such probes might guide the next generation of AI-for-Science benchmarks.

Materials research advances through accumulated experience - scripts that work, protocols that are trusted, warnings attached to failed calculations or experiments, and judgement that links a new question to an old result. This experience is essential for reproducibility and knowledge transfer, yet it is usually fragmented across notebooks, repositories, job logs and individual memory, and it is rarely portable across artificial-intelligence agents. Here we argue that a lifelong AI partner for materials science can be designed around persistent memory rather than around a particular agent implementation. We introduce a self-evolving memory framework that stores scientific experience as inspectable facts and executable skills, so that observations, failure boundaries, protocols and validation checks can be retrieved, revised and migrated across models. We evaluate the idea in three computational settings that expose different layers of materials-research competence. In 49 real-world materials-tool-use questions comprising 138 executable subtasks, memory nearly doubles GPT-5.2 task success without model-parameter updates. In elemental-solid equation-of-state calculations, memory converts a wavefunction-initialization failure into a pre-execution guardrail, improving outcomes from 22/1/4 to 25/2/0 Correct/Partial/Error and avoiding 92% of repeated errors. In 13 practical material simulation workflows, remembered skills and failure facts halve the aggregate trace burden (tokens) and reduce tool calls by over a factor of two by the third round, while preserving physically meaningful outputs in band-gap, phonon, vacancy and work-function analyses. These results show that agent memory can serve as a durable scientific asset; a portable, self-improving record of materials-research experience that outlives any single model or agent stack.

One of the main quests in quantum metrology is to attain the ultimate precision limit with given resources, where the resources are not only of the number of queries, but more importantly of the allowed strategies. With the same number of queries, the restrictions on the strategies constrain the achievable precision. In this work, we establish a systematic framework to identify the ultimate precision limit of different families of strategies, including the parallel, the sequential, and the indefinite-causal-order strategies, and provide an efficient algorithm that determines an optimal strategy within the family of strategies under consideration. With our framework, we show there exists a strict hierarchy of the precision limits for different families of strategies.

Knowledge graph engineering often distributes accepted state, observations, constraints, processes, and hypothetical scenarios across artifacts whose combined execution contract remains external. We present PULSE, an Object-Process-Methodology-inspired language that localizes four operational roles and their write effects in one typed runtime. Here, modes denote operational roles rather than modal or deontic logic. The implemented contract fixes evidence non-overwrite, branch isolation, grounded multi-subject timers, guarded state change, and declaration-ranked event ordering over time and space; an external runner still decides whether evidence becomes an authoritative move. GeoSPARQL, SOSA, and SHACL remain generated views. A core calculus gives an effect-confinement lemma and six safety properties. Lean 4 checks kernel analogues for positions, evidence, clocks, monitors, atomicity, and branch source retention; 88 tests, 3,534 bounded checks, and 32 Lean/Python runtime-kernel cases bound the implementation claim to the checked cases. First-author implementations of a standards composition and a separate Sismic statechart reproduce the tested cold-chain trace. Across 37,440 generated temporal traces, PULSE matches a separate workflow and distinguishes ten single-field mutants. On the complete NOAA IBTrACS since1980 subset it agrees with GEOS and an event sweep on 1,476,290 transition-zone pairs, including 4,800 sampled and 12,831 duration-qualified events. Project-specific GeoSPARQL probes measure interface coverage. Overall, the results support contract localization, safety arguments, and trace parity for the tested fragment; language superiority and usability remain outside the evaluation.

Foundational machine learning interatomic potentials that can accurately and efficiently model a vast range of materials are critical for accelerating atomistic discovery. We introduce universal potentials based on the graph atomic cluster expansion (GRACE) framework, trained on several of the largest available materials datasets. Through comprehensive benchmarks, we demonstrate that the GRACE models establish a new Pareto front for accuracy versus efficiency among foundational interatomic potentials. We further showcase their exceptional versatility by adapting them to specialized tasks and simpler architectures via fine-tuning and knowledge distillation, achieving high accuracy while preventing catastrophic forgetting. This work establishes GRACE as a robust and adaptable foundation for the next generation of atomistic modeling, enabling high-fidelity simulations across the periodic table.

This work presents a framework for assessing whether large language models (LLMs) encode more factual knowledge in their parameters than what they express in their outputs. While a few studies hint at this possibility, none has clearly defined or demonstrated this phenomenon. We first propose a formal definition of knowledge, quantifying it for a given question as the fraction of correct-incorrect answer pairs where the correct one is ranked higher. This gives rise to external and internal knowledge, depending on the information used to score individual answer candidates: either the model's observable token-level probabilities or its intermediate computations. Hidden knowledge arises when internal knowledge exceeds external knowledge. We then present a case study, applying this framework to three popular open-weights LLMs in a closed-book QA setup. Our results indicate that: (1) LLMs consistently encode more factual knowledge internally than what they express externally, with an average gap of 40%. (2) Surprisingly, some knowledge is so deeply hidden that a model can internally know an answer perfectly, yet fail to generate it even once, despite large-scale repeated sampling of 1,000 answers. This reveals fundamental limitations in the generation capabilities of LLMs, which (3) puts a practical constraint on scaling test-time compute via repeated answer sampling in closed-book QA: significant performance improvements remain inaccessible because some answers are practically never sampled, yet if they were, we would be guaranteed to rank them first.

Conceptual knowledge is fundamental to human cognition and knowledge bases. However, existing knowledge probing works only focus on evaluating factual knowledge of pre-trained language models (PLMs) and ignore conceptual knowledge. Since conceptual knowledge often appears as implicit commonsense behind texts, designing probes for conceptual knowledge is hard. Inspired by knowledge representation schemata, we comprehensively evaluate conceptual knowledge of PLMs by designing three tasks to probe whether PLMs organize entities by conceptual similarities, learn conceptual properties, and conceptualize entities in contexts, respectively. For the tasks, we collect and annotate 24k data instances covering 393 concepts, which is COPEN, a COnceptual knowledge Probing bENchmark. Extensive experiments on different sizes and types of PLMs show that existing PLMs systematically lack conceptual knowledge and suffer from various spurious correlations. We believe this is a critical bottleneck for realizing human-like cognition in PLMs. COPEN and our codes are publicly released at https://github.com/THU-KEG/COPEN.

Search-augmented language agents should retrieve external information only when necessary and ground their answers in retrieved evidence. Yet terminal correctness assigns equal credit to direct answers from parametric knowledge, evidence-grounded answers, and answers recalled after redundant search. Process supervision and LLM judges provide richer feedback but can require high-cost annotation or inference; low-cost, non-contrastive policy confidence signals do not directly identify whether retrieved evidence changes an answer. We propose Search-G1, a reward framework that couples retrieval necessity with evidence reliance through two intervention-calibrated hidden-state readouts for selective grounded search. A prompt readout predicts closed-book sufficiency, whose complement proxies policy-relative retrieval necessity; an answer-commit readout predicts evidence reliance as sensitivity to evidence deletion conditional on the realized reasoning prefix. A correctness-first reward gates evidence-reliance credit by retrieval necessity, rewards sufficient direct answers, and penalizes repeated search. After calibration, scoring needs neither process annotations nor LLM-judge inference. As policy-relative targets, trajectory distributions, and representations may drift, Search-G1 periodically regenerates targets and refits its readouts. Across four QA benchmarks and two scales, Search-G1 achieves competitive task accuracy, with stronger counterfactual evidence dependence and fewer searches in the main comparisons, complemented by independent human audits of answer support.

Existing LLM-driven knowledge graph (KG) construction methods predominantly employ stateless batch processing pipelines, exhibiting structural deficiencies in cross-chunk semantic relation capture, entity disambiguation, and construction process interpretability. These limitations undermine KG quality, retrieval precision, and deployment trust in high-stakes domains. We propose RAGA (Reading And Graph-building Agent), an LLM-based autonomous KG construction and retrieval fusion framework. RAGA provides an atomic toolset supporting full KG lifecycle CRUD operations and embeds a Read-Search-Verify-Construct cognitive constraint into a ReAct tool loop. A KG-vector synchronization mechanism enables hybrid symbolic-vector retrieval, while evidence-anchored verification links every knowledge entry to its source text for auditable provenance. Preliminary experiments on a subset of the QASPER scientific QA dataset indicate that RAGA's fusion retrieval outperforms zero-shot baselines, with KG integration providing measurable gains in both answer and evidence quality. The framework design and experimental baseline serve as a reference for agent-driven autonomous KG construction.

Large language models (LLMs) have significantly impacted many aspects of our lives. However, assessing and ensuring their chronological knowledge remains challenging. Existing approaches fall short in addressing the accumulative nature of knowledge, often relying on a single time stamp. To overcome this, we introduce ChroKnowBench, a benchmark dataset designed to evaluate chronologically accumulated knowledge across three key aspects: multiple domains, time dependency, temporal state. Our benchmark distinguishes between knowledge that evolves (e.g., scientific discoveries, amended laws) and knowledge that remain constant (e.g., mathematical truths, commonsense facts). Building on this benchmark, we present ChroKnowledge (Chronological Categorization of Knowledge), a novel sampling-based framework for evaluating and updating LLMs' non-parametric chronological knowledge. Our evaluation shows: (1) The ability of eliciting temporal knowledge varies depending on the data format that model was trained on. (2) LLMs partially recall knowledge or show a cut-off at temporal boundaries rather than recalling all aspects of knowledge correctly. Thus, we apply our ChroKnowPrompt, an in-depth prompting to elicit chronological knowledge by traversing step-by-step through the surrounding time spans. We observe that our framework successfully updates the overall knowledge across the entire timeline in both the biomedical domain (+11.9%) and the general domain (+2.8%), demonstrating its effectiveness in refining temporal knowledge. This non-parametric approach also enables knowledge updates not only in open-source models but also in proprietary LLMs, ensuring comprehensive applicability across model types. We perform a comprehensive analysis based on temporal characteristics of ChroKnowPrompt and validate the potential of various models to elicit intrinsic temporal knowledge through our method.

Large language model (LLM) agents are evolving from conversational assistants into autonomous systems that execute long-horizon tasks through reasoning, tool use, code generation, and workspace manipulation. As agents increasingly operate over persistent environments and multi-step workflows, they face challenges analogous to those addressed by transactional database systems: reliable execution, consistent outcomes, safe concurrency, and durable state management. We introduce the concept of an agentic transaction and propose an ACID-compliant agent system framework that reinterprets the classical ACID properties for agent execution through four semantic guarantees: Semantic Atomicity, Semantic Consistency, Semantic Isolation, and Semantic Durability. Together, these properties provide a principled foundation for building reliable agent systems despite model uncertainty and dynamic execution environments. To instantiate this framework, we develop an ACID-compliant data agent that realizes these guarantees through transactional exploration-execution-validation cycles, transactional skill hubs, confidence divergence-based validation, semantic dependency-aware isolation, and transaction-aware semantic state management. Experimental results on widely used benchmarks show that our system achieves a 10.6% improvement over state-of-the-art agents, including Claude Code. This work opens a broader research agenda on extending transactional principles and system architectures toward building trustworthy, scalable, and self-evolving AI agent systems.

State machine replication (SMR) and Byzantine fault-tolerant (BFT) consensus guarantee agreement despite a bounded number of arbitrary, colluding faulty participants. However, these guarantees rely on participants outside this set correctly executing the protocol's transition semantics. Agentic validators expose a weaker boundary: an authenticated, responsive, non-equivocating, and protocol-compliant reasoning participant may still endorse a semantically invalid transition due to reasoning errors. We call this failure mode an epistemic fault, and the collective phenomenon the Honest Quorum Problem (where "honest" means protocol-compliant, not semantically correct). Such a quorum can satisfy ordinary checks while forming a certificate for an invalid transition. Thus, agreement alone does not guarantee semantic validity or execution safety. Furthermore, because agentic validators often share model weights, training distributions, prompts, or toolchains, they are highly susceptible to correlated epistemic faults. We define Epistemic Byzantine Fault Tolerance (EBFT), a fault-tolerance model for agentic infrastructure and post-deterministic distributed systems. EBFT augments the conventional Byzantine fault bound with two separate, confidence-indexed quantities: e_δ bounds coherent invalid endorsements outside the Byzantine set, and u_ε bounds unusable validator support that degrades liveness. These quantities characterize semantic safety risk and liveness degradation independently. We derive quorum-threshold conditions for semantic validity, consensus agreement, liveness, and feasible threshold selection, and outline a calibration methodology for estimating these budgets. We show that adding nominally distinct agents improves fault tolerance only when it measurably reduces the upper-tail concentration of invalid endorsements or unusable support.

Designing a generalist scientific agent capable of performing tasks in laboratory settings to assist researchers has become a key goal in recent Artificial Intelligence (AI) research. Unlike everyday tasks, scientific tasks are inherently more delicate and complex, requiring agents to possess a higher level of reasoning ability, structured and temporal understanding of their environment, and a strong emphasis on safety. Existing approaches often fail to address these multifaceted requirements. To tackle these challenges, we present DAVIS. Unlike traditional retrieval-augmented generation (RAG) approaches, DAVIS incorporates structured and temporal memory, which enables model-based planning. Additionally, DAVIS implements an agentic, multi-turn retrieval system, similar to a human's inner monologue, allowing for a greater degree of reasoning over past experiences. DAVIS demonstrates substantially improved performance on the ScienceWorld benchmark comparing to previous approaches on 8 out of 9 elementary science subjects. In addition, DAVIS's World Model demonstrates competitive performance on the famous HotpotQA and MusiqueQA dataset for multi-hop question answering. To the best of our knowledge, DAVIS is the first RAG agent to employ an interactive retrieval method in a RAG pipeline.

Software increasingly functions as part of the scientific instrument itself, making failures in scientific code capable of compromising not only program behavior but also the evidence underlying scientific conclusions. Yet existing evaluations of coding agents largely emphasize aggregate task success, providing limited insight into why agents fail when repairing scientific software. We introduce SWE-bench Science, a repository-level benchmark for scientific software engineering comprising 119 tasks from 98 GitHub repositories across 20 scientific domains. Each task is organized into one of three paradigms: Issue-driven, Expert-exploratory, and Engineering-integration. Even the best-performing agent, Claude Code with Opus-5 (max), achieves a pass@1 below 50\%, highlighting the substantial challenges posed by scientific software engineering. We identify four recurring failure mechanisms: deficits in scientific knowledge or abstraction, misguided exploration or surface-level repair, incomplete repair coverage or system integration, and failures to generalize scientific knowledge beyond observed cases in our analysis. We further conduct a paired ablation that removes explicit scientific guidance while preserving the repository and executable engineering context. The results show that scientific knowledge is not uniformly beneficial: well-grounded information can constrain repair and improve average performance and token efficiency, whereas poorly aligned guidance can induce anchoring and does not necessarily improve exact repair success. Together, SWE-bench Science provides a broad testbed for studying both the capabilities and failure mechanisms of coding agents in scientific software engineering.

We report a way to make a frozen small language model both more capable and dramatically cheaper at once, without changing any weights. Verified knowledge is deposited once as a byte-exact key-value (KV) state artifact and later restored, by graft, into a fresh inference context. The restore is bit-exact: under a pinned deterministic configuration, the grafted logits are byte-for-byte identical to a fresh computation (SHA-256 equality), with zero KL divergence and 100% argmax agreement over fifty samples. We show that own-position graft is the unique numerically exact operating point on a model with floating-point rotary encoding, and we verify byte-exactness on two model scales (12B, 31B) and two GPU targets, one through a pre-registered replay. On AIME 2025, a frozen Gemma-4-12B moves from 80.0% to 93.3% once a verified solution library is grafted, above its own 77.5% and its 31B sibling's 89.2% published anchors. On the recurring case, eight problems the base model never solves within a 401,026-token budget are answered from cached verified solutions in 61 total decode tokens, a factor of 6,574 fewer tokens and about 8,700x less energy; the capability claim proper rests on held-out transfer (7 of 7 at 31B). The same byte-exact store widens usable context from 32,768 to 2,854,766 tokens at zero extra accelerator memory, and moves byte-identical between machines of the same architecture. We describe the system at the behavior level; the engine is proprietary, and every reported number is backed by committed input and output hashes so the scoring can be re-checked without it.

Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient exploration of this space requires a strategic approach that integrates heterogeneous knowledge sources. Here, we propose a framework that systematically combines knowledge extracted from computational material datasets with domain knowledge distilled from scientific literature using large language models (LLMs). A central feature of this approach is the explicit consideration of element substitutability, identifying chemically similar elements that can be interchanged to potentially stabilize desired HEAs. Dempster-Shafer theory, a mathematical framework for reasoning under uncertainty, is employed to model and combine substitutabilities based on aggregated evidence from multiple sources. The framework predicts the phase stability of candidate HEA compositions and is systematically evaluated on both quaternary alloy systems, demonstrating superior performance compared to baseline machine learning models and methods reliant on single-source evidence in cross-validation experiments. By leveraging multi-source knowledge, the framework retains robust predictive power even when key elements are absent from the training data, underscoring its potential for knowledge transfer and extrapolation. Furthermore, the enhanced interpretability of the methodology offers insights into the fundamental factors governing HEA formation. Overall, this work provides a promising strategy for accelerating HEA discovery by integrating computational and textual knowledge sources, enabling efficient exploration of vast compositional spaces with improved generalization and interpretability.

We study autonomous mathematical discovery in the Station, an open-world multi-agent environment in which AI agents from different model families pursue a shared research goal without a central coordinator or scripted pipeline. Agents choose their own research directions, conduct experiments, collaborate, and build a shared scientific literature. Across 12 construction problems from the AlphaEvolve catalogue and two additional case studies, the Station obtained results novel relative to the prior literature on five problems: a new infinite family of finite-field Kakeya sets, new exact 604-point kissing configurations in dimension 11, new records for the discretized Kakeya needle and sign uncertainty problems, and a substantially improved lower bound for Erdős's minimum-overlap problem. Agents also discovered novel infinite families for Book Ramsey numbers. Importantly, the agents produced not only numerical constructions but also theorems and analyses explaining how those constructions work, making the results more interpretable and easier for mathematicians to build upon. We release all raw agent dialogues, proofs, and verification code, providing a transparent record of how these discoveries emerged.

While knowledge is managed through Wikipedia and software through GitHub, agent skills still lack an infrastructure for large-scale production, governance, and evolution. SkillWiki is a living knowledge infrastructure that supports the organization, grounding, and continuous evolution of agent skills by transforming heterogeneous knowledge into reusable skill assets linked to their originating evidence. Our demonstration presents the complete skill lifecycle, from knowledge ingestion and skill production to provenance-aware exploration, governance, and execution-driven evolution. SkillWiki highlights a future in which knowledge, skills, and execution experience co-evolve within a shared infrastructure. The live demonstration and source code are publicly available at https://github.com/Huangdingcheng/SkillWiki.

Large language models can interpret natural-language chemistry questions, but their internal reasoning is difficult to inspect, constrain, and validate. This paper presents ChemOntoRule, a proof-of-concept symbolic core for AI-assisted school-level chemistry problem solving. The central design choice is task-centric ontology engineering: the ontology is constructed around the concepts, properties, relations, and executable procedures required by a defined collection of chemistry problems, rather than as a universal representation of chemistry. The implemented artifact combines a lightweight ontology serialized in JSON and RDF/Turtle with deterministic Python rules for electronic structure, periodic trends, oxidation states, oxide and hydride behavior, and related school-level reasoning patterns. A separate expert-coded fallback handles problem families not yet represented by general rules. The system was examined on 300 human-authored and manually validated chemistry problems. The complete system matched 296 of 300 reference answers (98.67%). The ontology-driven rule subset covered 269 problems and matched 266 references (98.88%); 31 problems were handled by task-specific expert-coded fallbacks, with 30 matches. Because the same collection informed ontology construction and evaluation, these results measure implemented coverage and internal consistency, not independent generalization. We analyze the four mismatches, distinguish structural validation from chemical correctness, and define a future architecture in which a language model acts primarily as a translator from user language into a normalized ontological task frame. Token efficiency is presented as a testable hypothesis for future controlled studies, not as a result of the current work.

Large language models (LLMs) achieve remarkable performance across natural language tasks, yet they are trained on static corpora and their knowledge quickly becomes outdated in a fast-changing world. This motivates knowledge editing (KE), which updates specific knowledge in an LLM without changing unrelated others. Recent works move from structured knowledge triples toward unstructured KE (UKE), where the edit is a free-form passage that may state multiple facts at once. Nonetheless, existing editors inject such a passage yet fail to use it: the edited model can recall the passage, but can neither answer atomic questions about its facts nor compose them into multi-hop reasoning. We attribute this missing property, which we term composability, to editors' passive reliance on the fixed passage as the sole learning source. In response, we cast editing as a proactive self-distillation from a privileged in-context state of the same model, which requires no external supervision. We further reveal that due to the novelty of the injected knowledge, the pre-edited model's own rollouts rarely cover it, which limits the effectiveness of pure on-policy distillation. To close this gap, we propose HPSE, which builds a hybrid rollout that steps in to place missing facts onto the student's own trajectory precisely where its coverage fails, while staying on-policy elsewhere. We theoretically analyze HPSE's advantage over pure on-policy distillation, and empirically establish its plug-and-play improvements across four LLM backbones and two KE editors under various scenarios.

Machine learning potentials (MLPs) trained on accurate quantum chemical data can retain the high accuracy, while inflicting little computational demands. On the downside, they need to be trained for each individual system. In recent years, a vast number of MLPs has been trained from scratch because learning additional data typically requires to train again on all data to not forget previously acquired knowledge. Additionally, most common structural descriptors of MLPs cannot represent efficiently a large number of different chemical elements. In this work, we tackle these problems by introducing element-embracing atom-centered symmetry functions (eeACSFs) which combine structural properties and element information from the periodic table. These eeACSFs are a key for our development of a lifelong machine learning potential (lMLP). Uncertainty quantification can be exploited to transgress a fixed, pre-trained MLP to arrive at a continuously adapting lMLP, because a predefined level of accuracy can be ensured. To extend the applicability of an lMLP to new systems, we apply continual learning strategies to enable autonomous and on-the-fly training on a continuous stream of new data. For the training of deep neural networks, we propose the continual resilient (CoRe) optimizer and incremental learning strategies relying on rehearsal of data, regularization of parameters, and the architecture of the model.

While large language models (LLMs) have achieved impressive progress, their application in scientific domains such as chemistry remains hindered by shallow domain understanding and limited reasoning capabilities. In this work, we focus on the specific field of chemistry and develop a Chemical Reasoner LLM, ChemDFM-R. We first construct a comprehensive dataset of atomized knowledge points to enhance the model's understanding of the fundamental principles and logical structure of chemistry. Then, we propose a mix-sourced distillation strategy that integrates expert-curated knowledge with general-domain reasoning skills, followed by domain-specific reinforcement learning to enhance chemical reasoning. Experiments on diverse chemical benchmarks demonstrate that ChemDFM-R achieves state-of-the-art performance while providing interpretable, rationale-driven outputs. Further case studies illustrate how explicit reasoning chains significantly improve the reliability, transparency, and practical utility of the model in real-world human-AI collaboration scenarios.

True self-evolution requires agents to act as lifelong learners that internalize novel experiences to solve future problems. However, rigorously measuring this foundational capability is hindered by two obstacles: the entanglement of prior knowledge, where ``new'' knowledge may appear in pre-training data, and the entanglement of reasoning complexity, where failures may stem from problem difficulty rather than an inability to recall learned knowledge. We introduce SE-Bench, a diagnostic environment that obfuscates the NumPy library and its API doc into a pseudo-novel package with randomized identifiers. Agents are trained to internalize this package and evaluated on simple coding tasks without access to documentation, yielding a clean setting where tasks are trivial with the new API doc but impossible for base models without it. Our investigation reveals three insights: (1) the Open-Book Paradox, where training with reference documentation inhibits retention, requiring "Closed-Book Training" to force knowledge compression into weights; (2) the RL Gap, where standard RL fails to internalize new knowledge completely due to PPO clipping and negative gradients; and (3) the viability of Self-Play for internalization, proving models can learn from self-generated, noisy tasks when coupled with SFT, but not RL. Overall, SE-Bench establishes a rigorous diagnostic platform for self-evolution with knowledge internalization. Our code and dataset can be found at https://github.com/thunlp/SE-Bench.

Large reasoning models (LRMs) show strong capabilities in complex reasoning, yet their marginal gains on evidence-dependent factual questions are limited. We find this limitation is partially attributable to a reasoning-answer hit gap, where the model identifies the correct facts during reasoning but fails to incorporate them into the final response, thereby reducing factual fidelity. To address this issue, we propose MR-ALIGN, a Meta-Reasoning informed alignment framework that enhances factuality without relying on external verifiers. MR-ALIGN quantifies state transition probabilities along the model's thinking process and constructs a transition-aware implicit reward that reinforces beneficial reasoning patterns while suppressing defective ones at the atomic thinking segments. This re-weighting reshapes token-level signals into probability-aware segment scores, encouraging coherent reasoning trajectories that are more conducive to factual correctness. Empirical evaluations across four factual QA datasets and one long-form factuality benchmark show that MR-ALIGN consistently improves accuracy and truthfulness while reducing misleading reasoning. These results highlight that aligning the reasoning process itself, rather than merely the outputs, is pivotal for advancing factuality in LRMs.

The discovery of novel materials is critical for global energy and quantum technology transitions. While deep learning has fundamentally reshaped this landscape, existing predictive or generative models typically operate in isolation, lacking the autonomous orchestration required to execute the full discovery process. Here we present ElementsClaw, an agentic framework for materials discovery that synergizes Large Atomic Models (LAMs) with Large Language Models (LLMs). In response to varied human queries, ElementsClaw orchestrates a suite of LAM tools finetuned from our proposed 1-billion-parameter model Elements for atomic-scale numerical computation, while leveraging LLMs for high-level semantic reasoning. This shift moves AI-driven materials science from isolated processes toward integrated and human interactive discovery. Applied to superconductors, ElementsClaw screens 2.4 million crystals in just 28 GPU hours to identify 68,000 high-confidence candidates (The complete dataset of screened superconductors is available at https://developer.damo-academy.com/material), expanding known superconducting space by orders of magnitude compared to datasets curated over decades. Critically, ElementsClaw achieves a high success rate in identifying superconductors hidden in literature and discovers four novel experimentally verified superconductors, exemplified by Zr3ScRe8 with a transition temperature of 6.8 K and HfZrRe4 at 6.7 K. Together, our results establish a knowledge integrated, autonomously orchestrated, and experimentally grounded paradigm for materials discovery.

Modern multi-agent knowledge systems increasingly accumulate knowledge through chains of autonomous transformations rather than direct retrieval. Existing provenance work records what happened - execution traces, tool calls, evidence links - and source-reliability estimation is long established (truth discovery, reputation systems). What is missing is an operational framework that attaches graded, per-domain transmitter reliability to claim-level transmission chains, with completeness semantics, transformation-typed aggregation, decoupled content criticism, and serve/review/quarantine routing. Classical Islamic hadith science confronted a structurally similar problem: deciding whether knowledge transmitted through chains of human narrators should be accepted. Over centuries it developed a rigorous methodology - isnad (a complete transmission chain attached to every claim), rijal (systematic grading of each narrator's integrity and precision), weakest-link chain evaluation, corroboration through independent chains, and matn criticism (content evaluated independently of chain quality). This paper transfers that methodology to AI system design. We contribute a formal mapping from hadith-science concepts to multi-agent pipelines, a relational schema implementing claim chains and a graded narrator registry, a decision matrix combining chain grade with content criticism, and an evaluation on 20,000 claims from real physics textbooks. The evaluation validates weakest-link quarantine and independent-chain corroboration; reports a partial failure of the grade-recovery loop, which missed the highest-fault narrator; and reports two analyses as inconclusive, including a matched-coverage comparison the framework could not reach with the reference content critic. The paper is explicit throughout about which claims the evidence does and does not yet support.

Critique, as a natural language description for assessing the quality of model-generated content, has been proven to play an essential role in the training, evaluation, and refinement of Large Language Models (LLMs). However, there is a lack of principled understanding in evaluating the quality of the critique itself. In this paper, we pioneer the critique of critique, termed MetaCritique, which is a framework to evaluate the critique from two aspects, i.e., factuality as precision score and comprehensiveness as recall score. We calculate the harmonic mean of precision and recall as the overall rating called F1 score. To obtain a reliable evaluation outcome, we propose Atomic Information Units (AIUs), which describe the critique in a more fine-grained manner. MetaCritique takes each AIU into account and aggregates each AIU's judgment for the overall score. Moreover, given the evaluation process involves intricate reasoning, our MetaCritique provides a natural language rationale to support each judgment. We construct a meta-evaluation dataset containing 300 critiques (2653 AIUs) across four tasks (question answering, reasoning, entailment, and summarization), and we conduct a comparative study to demonstrate the feasibility and effectiveness. Experiments also show superior critique judged by MetaCritique leads to better refinement, indicating generative artificial intelligence indeed has the potential to be significantly advanced with our MetaCritique. We will release relevant code and meta-evaluation datasets at https://github.com/GAIR-NLP/MetaCritique.

We present KNOW--the Knowledge Navigator Ontology for the World--the first ontology designed to capture everyday knowledge to augment large language models (LLMs) in real-world generative AI use cases such as personal AI assistants. Our domain is human life, both its everyday concerns and its major milestones. We have limited the initial scope of the modeled concepts to only established human universals: spacetime (places, events) plus social (people, groups, organizations). The inclusion criteria for modeled concepts are pragmatic, beginning with universality and utility. We compare and contrast previous work such as Schema.org and Cyc--as well as attempts at a synthesis of knowledge graphs and language models--noting how LLMs already encode internally much of the commonsense tacit knowledge that took decades to capture in the Cyc project. We also make available code-generated software libraries for the 12 most popular programming languages, enabling the direct use of ontology concepts in software engineering. We emphasize simplicity and developer experience in promoting AI interoperability.

Laboratory workflows in pharmaceutical and biomedical research encode substantial tacit knowledge -- expert judgment about failure conditions, decision branching logic, and contextual dependencies -- that remains inaccessible to protocol documents, sensor streams, and existing biomedical ontologies. We present a repeatable structured expert elicitation methodology and federated Semantic Knowledge Graph (SKG) architecture for capturing and querying this knowledge, demonstrated through deployment at the Biochemical and Cellular Pharmacology Department of Genentech. Knowledge is elicited via the Protocol Intelligence Co-pilot, a purpose-built AI interview agent that applies structured elicitation lenses to surface tacit procedural knowledge with expert-assigned confidence scores, producing graph representations across three tiers: program-level decision milestones, assay protocol knowledge, and physical execution infrastructure. Separately constructed subgraphs, exemplified by immunoassay (ELISA), quantitative mass spectrometry (LC-MS/PRM), and laboratory automation, are aligned through a shared upper ontology and queried as a single federated graph. Evaluation demonstrates seven query types structurally unavailable from any individual data source, including a cross-subgraph traversal that identifies automation-masked silent failures -- conditions where execution logs report success while scientific validity is compromised. Critically, the MASKED_BY graph relationship encodes a class of laboratory risk invisible to current informatics platforms -- the structural gap that prevents existing systems from reasoning about scientific validity. This architecture provides the semantic world model that AI laboratory agents currently lack: a queryable representation of where workflows fail silently, where human judgment is irreplaceable, and which execution assets mask rather than detect failure.

As quantum computing approaches the threshold where certain tasks demonstrably outpace their classical machines, the need for a precise, clear, consensus-driven definition of quantum advantage becomes essential. Rapid progress in the field has blurred this term across companies, architectures, and application domains. Here, we aim to articulate an operational definition for quantum advantage that is both platform-agnostic and empirically verifiable. Building on this framework, we highlight the algorithmic families most likely to achieve early advantage. Finally, we outline our vision for the near future, in which quantum computers enhance existing high-performance computing platforms, enabling new frontiers in chemistry, materials discovery, optimization, and beyond.

We propose a many-sorted modal logic for reasoning about knowledge in multi-agent systems. Our logic introduces a clear distinction between participating agents and the environment. This allows to express local properties of agents and global properties of worlds in a uniform way, as well as to talk about the presence or absence of agents in a world. The logic subsumes the standard epistemic logic and is a conservative extension of it. The semantics is given in chromatic hypergraphs, a generalization of chromatic simplicial complexes, which were recently used to model knowledge in distributed systems. We show that the logic is sound and complete with respect to the intended semantics. We also show a further connection of chromatic hypergraphs with neighborhood frames.

Modern Large Language Models (LLMs) have demonstrated remarkable capabilities in complex tasks by employing search-augmented reasoning to incorporate external knowledge into long chains of thought. However, we identify a critical yet underexplored bottleneck in this paradigm, termed Knowledge Integration Decay (KID). Specifically, we observe that as the length of reasoning generated before search grows, models increasingly fail to integrate retrieved evidence into subsequent reasoning steps, limiting performance even when relevant information is available. To address this, we propose Self-Anchored Knowledge Encoding (SAKE), a training-free inference-time strategy designed to stabilize knowledge utilization. By anchoring retrieved knowledge at both the beginning and end of the reasoning process, SAKE prevents it from being overshadowed by prior context, thereby preserving its semantic integrity. Extensive experiments on multi-hop QA and complex reasoning benchmarks demonstrate that SAKE significantly mitigates KID and improves performance, offering a lightweight yet effective solution for knowledge integration in agentic LLMs.

In financial Retrieval-Augmented Generation (RAG) systems, models frequently rely on retrieved documents to generate accurate responses due to the time-sensitive nature of the financial domain. While retrieved documents help address knowledge gaps, model-generated responses still suffer from hallucinations that contradict the retrieved information. To mitigate this inconsistency, we propose a Reinforcement Learning framework enhanced with Fine-grained Knowledge Verification (RLFKV). Our method decomposes financial responses into atomic knowledge units and assesses the correctness of each unit to compute the fine-grained faithful reward. This reward offers more precise optimization signals, thereby improving alignment with the retrieved documents. Additionally, to prevent reward hacking (e.g., overly concise replies), we incorporate an informativeness reward that encourages the policy model to retain at least as many knowledge units as the base model. Experiments conducted on the public Financial Data Description (FDD) task and our newly proposed FDD-ANT dataset demonstrate consistent improvements, confirming the effectiveness of our approach.

Scientific inquiry requires systems-level reasoning that integrates heterogeneous experimental data, cross-domain knowledge, and mechanistic evidence into coherent explanations. While Large Language Models (LLMs) offer inferential capabilities, they often depend on retrieval-augmented contexts that lack structural depth. Traditional Knowledge Graphs (KGs) attempt to bridge this gap, yet their pairwise constraints fail to capture the irreducible higher-order interactions that govern emergent physical behavior. To address this, we introduce a methodology for constructing hypergraph-based knowledge representations that faithfully encode multi-entity relationships. Applied to a corpus of ~1,100 manuscripts on biocomposite scaffolds, our framework constructs a global hypergraph of 161,172 nodes and 320,201 hyperedges, revealing a scale-free topology (power law exponent ~1.23) organized around highly connected conceptual hubs. This representation prevents the combinatorial explosion typical of pairwise expansions and explicitly preserves the co-occurrence context of scientific formulations. We further demonstrate that equipping agentic systems with hypergraph traversal tools, specifically using node-intersection constraints, enables them to bridge semantically distant concepts. By exploiting these higher-order pathways, the system successfully generates grounded mechanistic hypotheses for novel composite materials, such as linking cerium oxide to PCL scaffolds via chitosan intermediates. This work establishes a "teacherless" agentic reasoning system where hypergraph topology acts as a verifiable guardrail, accelerating scientific discovery by uncovering relationships obscured by traditional graph methods.

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing, their optimization for efficiency risks overlooking these crucial, unplanned findings. To address this gap, we introduce SciLink, an open-source, multi-agent artificial intelligence framework designed to operationalize serendipity in materials research by creating a direct, automated link between experimental observation, novelty assessment, and theoretical simulations. The framework employs a hybrid AI strategy where specialized machine learning models perform quantitative analysis of experimental data, while large language models handle higher-level reasoning. These agents autonomously convert raw data from materials characterization techniques into falsifiable scientific claims, which are then quantitatively scored for novelty against the published literature. We demonstrate the framework's versatility across diverse research scenarios, showcasing its application to atomic-resolution and hyperspectral data, its capacity to integrate real-time human expert guidance, and its ability to close the research loop by proposing targeted follow-up experiments. By systematically analyzing all observations and contextualizing them, SciLink provides a practical framework for AI-driven materials research that not only enhances efficiency but also actively cultivates an environment ripe for serendipitous discoveries, thereby bridging the gap between automated experimentation and open-ended scientific exploration.

In embodied manipulation, Vision Language Action (VLA) models can execute atomic skills, but long-horizon manipulation requires recombining these skills without demonstrations for every skill combination. The full instruction route treats skill chaining as long-horizon imitation. In a controlled study, full instruction training on limited skill combination sequences reaches 40.0% ordered success on covered combinations but only 7.7% on recombination, suggesting memorization of sequence templates rather than robust skill recombination. We introduce Hierarchical Subtask Execution (HSE), a diagnostic framework that exposes skill recombination through a shared modular interface over the planner, trigger, and policy, decomposing long-horizon failures into separable modes. We introduce RoboCombine, a benchmark for skill recombination without combined skill training trajectories, with metrics for ordered success and transition conversion across subtask boundaries. RoboCombine reveals that atomic competence alone does not ensure ordered execution. Failures concentrate at transitions where downstream subtasks launch from handoff states from preceding subtasks rather than canonical atomic starts. We identify this mismatch as the start state gap. To address it, we introduce Pose Robust Task Initialization (PRTI), a lightweight atomic task post-training strategy that broadens start state coverage beyond canonical starts. Under oracle timed HSE on RoboCombine, PRTI reaches 18.16% ordered success, compared with 4.21% under random perturbation and 9.47% under a robot-reset oracle, without combined skill training trajectories. These results show that combinatorial generalization requires handoff robust atomic skills that convert first stage progress into reliable downstream execution, not merely decomposition into known subtasks. Code: https://github.com/AutoLab-SAI-SJTU/RoboCombine.

Molecular structure elucidation involves deducing a molecule's structure from various types of spectral data, which is crucial in chemical experimental analysis. While large language models (LLMs) have shown remarkable proficiency in analyzing and reasoning through complex tasks, they still encounter substantial challenges in molecular structure elucidation. We identify that these challenges largely stem from LLMs' limited grasp of specialized chemical knowledge. In this work, we introduce a Knowledge-enhanced reasoning framework for Molecular Structure Elucidation (K-MSE), leveraging Monte Carlo Tree Search for test-time scaling as a plugin. Specifically, we construct an external molecular substructure knowledge base to extend the LLMs' coverage of the chemical structure space. Furthermore, we design a specialized molecule-spectrum scorer to act as a reward model for the reasoning process, addressing the issue of inaccurate solution evaluation in LLMs. Experimental results show that our approach significantly boosts performance, particularly gaining more than 20% improvement on both GPT-4o-mini and GPT-4o. Our code is available at https://github.com/HICAI-ZJU/K-MSE.

We present NovaCOMET, an open commonsense knowledge model, that combines the best aspects of knowledge and general task models. Compared to previous knowledge models, NovaCOMET allows open-format relations enabling direct application to reasoning tasks; compared to general task models like Flan-T5, it explicitly centers knowledge, enabling superior performance for commonsense reasoning. NovaCOMET leverages the knowledge of opaque proprietary models to create an open knowledge pipeline. First, knowledge is symbolically distilled into NovATOMIC, a publicly-released discrete knowledge graph which can be audited, critiqued, and filtered. Next, we train NovaCOMET on NovATOMIC by fine-tuning an open-source pretrained model. NovaCOMET uses an open-format training objective, replacing the fixed relation sets of past knowledge models, enabling arbitrary structures within the data to serve as inputs or outputs. The resulting generation model, optionally augmented with human annotation, matches or exceeds comparable open task models like Flan-T5 on a range of commonsense generation tasks. NovaCOMET serves as a counterexample to the contemporary focus on instruction tuning only, demonstrating a distinct advantage to explicitly modeling commonsense knowledge as well.

In this paper, we present a conceptual model game to examine the dynamics of asymmetric interactions in games with imperfect information. The game involves two agents with starkly contrasting capabilities: one agent can take actions but has no information of the state of the game, whereas the other agent has perfect information of the state but cannot act or observe the other agent's actions. This duality manifests an extreme form of asymmetry, and how differing abilities influence the possibility of attaining common knowledge. Using Kripke structures and epistemic logic we demonstrate that, under these conditions, common knowledge of the current game state becomes unattainable. Our findings advance the discussion on the strategic limitations of knowledge in environments where information and action are unevenly distributed.

As LLM agents undertake increasingly complex, long-horizon tasks, verifying their outputs becomes increasingly challenging. We study how verification capability can be strengthened with a fixed base model, without access to reference answers or grading rubrics at test time. Repeated sampling yields multiple rollouts that can contain complementary correct claims, but we need a reliable verification mechanism to determine which claims to trust. We first find that disagreement often exposes correct alternatives, while consensus can conceal errors. These observations motivate VeriHarness, which turns the underlying LLM a generator uses into an agentic verifier by giving it a workspace, evidence tools, and reusable verification skills. A disagreement resolver checks competing claims against environmental evidence, while a consensus challenger tests shared claims and searches for omitted requirements. Their findings guide the selection and revision of the final artifact. Across five long-horizon workspace benchmarks and two frontier models, VeriHarness achieves the highest selection scores among the evaluated baselines. Evidence-backed revision further improves average performance, bringing gains over a single rollout to 6.2 points with Gemini 3.5 Flash and 6.4 points with Claude Opus 4.8. We further show that verification skills can self-improve from failure feedback, demonstrating VeriHarness as a novel and critical approach for scaling long-horizon agentic verification. We release the full pool of approximately 26,000 rollouts across all five benchmarks and both models, produced at a cost of over $100,000, to support future research on agentic verification.

Theory of Mind (ToM), the ability to track others epistemic state, makes humans efficient collaborators. AI agents need the same capacity in multi agent settings, yet existing benchmarks mostly test literal ToM by asking direct belief questions. The ability act optimally on implicit beliefs in embodied environments, called functional ToM, remains largely untested. We introduce EnactToM, an evolving benchmark of 300 embodied multi-agent tasks set in a 3D household with partial observability, private information, and constrained communication. Each task is formally verified for solvability and required epistemic depth, and new tasks are generated increase difficulty as models improve. On the hard split, all seven evaluated frontier models score 0.0% Pass^3 on functional task completion, while averaging 45.0% on literal belief probes. Manual analysis traces 93% of sampled failures to epistemic coordination breakdowns such as withheld information, ignored partner constraints, and misallocated messages, providing a concrete target for future work.

Recently, Large Language Models (LLMs) have been increasingly able to solve advanced mathematical problems, including many that have been open for decades. This opens the door to expansion of mathematical knowledge at unprecedented scale. Yet, while LLMs may be able to conjecture and prove more and more theorems, it remains open whether this new mathematical knowledge is interesting or useful. We define intrinsic interestingness of a theorem as the ratio between the length of its proof and the length of its statement. We show that this correlates strongly with an extrinsic measure of the downstream utility of a theorem. We identify the difficulty of a proof conditioned on a set of premises as a useful primitive for computing these metrics, and train a 27B model that predicts proof difficulty more accurately than frontier general-purpose models. Optimizing for our metric creates a model capable of producing more interesting theorems, while also reducing substantial or full overlap with Mathlib from 91.9% to 30.6%, showcasing the creation of more out-of-distribution math. We show that our system can generate candidate theorems, select the most interesting among them, and iteratively build on a self-expanding mathematical library. These metrics provide a practical and quantifiable signal for ranking conjectures and guiding proof search within formal mathematical libraries. Our framework provides a path towards self-expanding, machine-verified mathematical libraries that can choose worthwhile statements without relying on human-supplied targets.

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, Meta FAIR presents a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials, and catalysts. We develop empirical scaling laws to help understand how to increase model capacity alongside dataset size to achieve the best accuracy. The UMA small and medium models utilize a novel architectural design we refer to as mixture of linear experts that enables increasing model capacity without sacrificing speed. For example, UMA-medium has 1.4B parameters but only ~50M active parameters per atomic structure. We evaluate UMA models on a diverse set of applications across multiple domains and find that, remarkably, a single model without any fine-tuning can perform similarly or better than specialized models. We are releasing the UMA code, weights, and associated data to accelerate computational workflows and enable the community to continue to build increasingly capable AI models.

The task of locating first order saddle points on high-dimensional surfaces describing the variation of energy as a function of atomic coordinates is an essential step for identifying the mechanism and estimating the rate of thermally activated events within the harmonic approximation of transition state theory. When combined directly with electronic structure calculations, the number of energy and atomic force evaluations needed for convergence is a primary issue. Here, we describe an efficient implementation of Gaussian process regression (GPR) acceleration of the minimum mode following method where a dimer is used to estimate the lowest eigenmode of the Hessian. A surrogate energy surface is constructed and updated after each electronic structure calculation. The method is applied to a test set of 500 molecular reactions previously generated by Hermez and coworkers [J. Chem. Theory Comput. 18, 6974 (2022)]. An order of magnitude reduction in the number of electronic structure calculations needed to reach the saddle point configurations is obtained by using the GPR compared to the dimer method. Despite the wide range in stiffness of the molecular degrees of freedom, the calculations are carried out using Cartesian coordinates and are found to require similar number of electronic structure calculations as an elaborate internal coordinate method implemented in the Sella software package. The present implementation of the GPR surrogate model in C++ is efficient enough for the wall time of the saddle point searches to be reduced in 3 out of 4 cases even though the calculations are carried out at a low Hartree-Fock level.

The high-energy and astroparticle physics literature has grown into an enormous body of knowledge. Gaining a comprehensive understanding of this literature is an important step in research, but is a challenging task. Before making meaningful advances, it is important to establish what has already been done and identify open questions. However, this process is becoming increasingly difficult given the sheer volume of publications. Conducting a focused literature survey on a narrow topic is particularly challenging. We develop an open-source Retrieval Augmented Generation (RAG) pipeline to produce concise, targeted summary reports with citations, grounded in the database of arXiv papers, enabling researchers, editors, and referees to rapidly orient themselves within any corner of the field. Specifically, we embed approximately 230K hep-ph and astro-ph.HE papers to enable a hybrid retrieval that captures both keyword matches and semantic similarity. The fused candidate set is then refined using a cross-encoder reranker. Following retrieval, the papers are passed to a Large Language Model (LLM), for which we use Google DeepMind's open-source Gemma-4-E4B model. The LLM first acts as a judge to evaluate the relevance and then synthesizes a coherent and grounded report with references. This modern AI-driven approach allows us to go beyond the capabilities of classical keyword search on arXiv or Inspire-HEP.

Scientific discovery is an inherently creative and uncertain process, requiring reasoning beyond the recall of known knowledge. While many benchmarks have been proposed to evaluate large language model (LLM) performance on deep research tasks via multi-hop retrieval, their innovative reasoning abilities essential for true scientific discovery remain largely untested. We introduce a benchmark framework for evaluating model performance in scientific discovery and reasoning, building up from a raw problem to the classical null hypothesis test. In our framework, models initially receive only the topic and research question from a recent paper, with technical details progressively revealed. At each stage of information disclosure, the model is tasked with generating hypotheses that address the research question, which is compared with the conclusions from the original paper and evaluated via automated semantic similarity of constituent atomic claims. This progressive evaluation of semantic divergence from ground-truth conclusions enables assessment of a model's innovativeness (under minimal information) to grounded reasoning capabilities (under full experimental details), both critical for using LLMs for scientific discovery purposes. Our framework provides a foundation for systematically evaluating scientific reasoning and discovery capabilities in LLMs, crucial for advancing the development of next-generation AI scientist/co-scientist systems. Specifically, here we evaluate GPT-5, GPT-5.4, Gemini 2.5 pro, and Gemini 3.1 pro preview across 45 papers spanning bioactive materials, mechanical materials, and nanomaterials. We find that GPT-5.4 and Gemini 3.1 pro outperform their previous generation counterparts as expected, and GPT-5.4 in particular maintains 0.7 F1 score alignment with ground truth conclusions even under minimal context.