Daily Papers

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.

Large language models often fail when answer options require combining atomic judgments under explicit logical operators, even when they judge the individual atoms correctly. We study compound options connected by AND, OR, and NEITHER/NOR, introducing a framework that decomposes each option into atomic answers and scores contrastive hypotheses about each one, so the model never sees a compound option. An operator-constrained integer linear program then composes the calibrated scores into a single prediction. We evaluate on LOGICAL-COMMONSENSEQA and introduce LOGICAL-SATA, a reading-comprehension benchmark derived from SATA-Bench. Our framework improves Macro-F1 from 48.3 to 77.0 on the human-validated LOGICAL-COMMONSENSEQA split and from 47.0 to 75.6 on LOGICAL-SATA, with the largest gains on NEITHER/NOR.

We introduce FAITHSCORE (Faithfulness to Atomic Image Facts Score), a reference-free and fine-grained evaluation metric that measures the faithfulness of the generated free-form answers from large vision-language models (LVLMs). The FAITHSCORE evaluation first identifies sub-sentences containing descriptive statements that need to be verified, then extracts a comprehensive list of atomic facts from these sub-sentences, and finally conducts consistency verification between fine-grained atomic facts and the input image. Meta-evaluation demonstrates that our metric highly correlates with human judgments of faithfulness. We collect two benchmark datasets (i.e. LLaVA-1k and MSCOCO-Cap) for evaluating LVLMs instruction-following hallucinations. We measure hallucinations in state-of-the-art LVLMs with FAITHSCORE on the datasets. Results reveal that current systems are prone to generate hallucinated content unfaithful to the image, which leaves room for future improvements. Further, we find that current LVLMs despite doing well on color and counting, still struggle with long answers, relations, and multiple objects.

Vision-language models can produce fluent answers that are insufficiently grounded in the visual evidence: a single unsupported object, chart value, or intermediate inference can undermine an otherwise plausible response. We argue that this is a credit-assignment failure in multimodal post-training. Scalar outcome rewards indicate whether an answer is acceptable, but do not identify which visual facts are grounded, which reasoning steps are valid, or which instruction constraints are missed. We introduce Visual Rubrics-Based Reinforcement Learning, which decomposes reference responses into atomic propositions and scores generated answers along Visual Faithfulness (VF), Reasoning Consistency (RC), and Instruction Following (IF). The resulting rubric items provide structured partial credit and localize rubric credit when supporting evidence spans are available. We first obtain an SFT checkpoint by fine-tuning Qwen3-VL-8B-Instruct on the public OpenMMReasoner-SFT-874K corpus, adapting OpenMMReasoner's cold-start data recipe. We construct V-Rubrics 50K, a 50,248-example training set from 17 visually grounded sources, by applying rule-based filters before deriving example difficulty from rejection-sampling scores and then annotating every example with Gemini-3-Pro under the same structured prompt and protocol. We train our model based on the same SFT checkpoint using component-wise, prefix-localized rubric credit. Experiments show that our rubricbased GRPO improves over both the shared SFT baseline and answer-only GRPO, with the largest gains on knowledge-oriented and visually grounded reasoning benchmarks. The results show rubrics as a useful reward abstraction for visual post-training.

We present a framework for evaluating data-science agents on live, continuously updated data using executable ground truth and format-agnostic factoid scoring. Consider this example query: "what were last week's audience sizes"---the reference answer changes as the underlying data changes, so static references become outdated and standard LLM-as-a-judge pipelines cannot verify responses against a fixed ground truth. Our central contribution, ground-truth-as-code, encodes each expected answer as an executable reference function that recomputes the answer directly from live data at evaluation time, ensuring the reference remains consistent with the system it describes. We combine this with a factoid-level, format-agnostic judge that decomposes both the agent's response and the computed ground truth into atomic claims and scores precision, recall, and accuracy over them, irrespective of the response format (prose, list, table, HTML, etc.). The approach is applicable to agents whose expected outputs can be expressed as executable data computations. We validate the framework through a human--LLM agreement study on an internally developed machine learning skill deployed in production, using a synthetic database constructed to reproduce production schemas and entity relationships. Relative to a natural-language ground-truth baseline, our method achieves a 29% improvement in the Matthews Correlation Coefficient (MCC)---a class-balanced measure of agreement between expert annotators and LLM-as-a-judge predictions---and a 16% reduction in token consumption per test case, while a self-directed baseline lacking explicit ground truth is anti-correlated with human judgment. Agents that perform multi-source data integration and computation over non-stationary data are routinely deployed in industry; we propose ground-truth-as-code as a practical methodology for their evaluation.

Recent video generation models (VGMs) have made substantial progress in visual fidelity, yet their ability to follow long, compositional instructions remains insufficiently evaluated. Existing evaluation protocols often rely on prompts that are short and semantically shallow, with limited atomic constraints and weak spatio-temporal dependencies. They also frequently depend on costly human evaluation or handcrafted vision pipelines, while providing little diagnostic insight into which instruction constraints succeed or fail. To address this gap, we propose VGIF-Score, a highly automated and interpretable framework for evaluating instruction following in video generation. VGIF-Score consists of two complementary components: an objective completion branch that parses prompts into a Spatio-Temporal Directed Acyclic Graph (ST-DAG) and performs dependency-aware QA with short-circuit diagnostics, and a subjective satisfaction branch that uses instruction-conditioned AutoRubric to assess cinematography, visual purity, motion smoothness, and physics adherence. Together, these components produce a unified score that captures both objective completion and perceptual satisfaction. We instantiate this framework on VGIF-Bench, a benchmark of 223 long, structurally entangled prompts paired with approximately 4.3K fine-grained evaluation items. Experiments on 14 proprietary and open-source VGMs across more than 3K generated videos show that VGIF-Score provides reliable, interpretable, and diagnostically useful evaluation of video generation instruction following. The code will be available at https://github.com/PRIS-CV/VGIF-SCORE.

Ensuring persona fidelity in large language models (LLMs) is essential for maintaining coherent and engaging human-AI interactions. However, LLMs often exhibit Out-of-Character (OOC) behavior, where generated responses deviate from an assigned persona, leading to inconsistencies that affect model reliability. Existing evaluation methods typically assign single scores to entire responses, struggling to capture subtle persona misalignment, particularly in long-form text generation. To address this limitation, we propose an atomic-level evaluation framework that quantifies persona fidelity at a finer granularity. Our three key metrics measure the degree of persona alignment and consistency within and across generations. Our approach enables a more precise and realistic assessment of persona fidelity by identifying subtle deviations that real users would encounter. Through our experiments, we demonstrate that our framework effectively detects persona inconsistencies that prior methods overlook. By analyzing persona fidelity across diverse tasks and personality types, we reveal how task structure and persona desirability influence model adaptability, highlighting challenges in maintaining consistent persona expression.

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.

Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most existing diffusion-based generative models for crystals rely on complex, hand-crafted priors and modular architectures to separately model atom types, atomic positions, and lattice parameters. These methods often require customized diffusion processes and conditional denoising, which can introduce additional model complexities and inconsistencies. Here we introduce DiffCrysGen, a fully data-driven, score-based diffusion model that jointly learns the distribution of all structural components in crystalline materials. With crystal structure representation as unified 2D matrices, DiffCrysGen bypasses the need for task-specific priors or decoupled modules, enabling end-to-end generation of atom types, fractional coordinates, and lattice parameters within a single framework. Our model learns crystallographic symmetry and chemical validity directly from large-scale datasets, allowing it to scale to complex materials discovery tasks. As a demonstration, we applied DiffCrysGen to the design of rare-earth-free magnetic materials with high saturation magnetization, showing its effectiveness in generating stable, diverse, and property-aligned candidates for sustainable magnet applications.

Reliable reward models are essential for text-to-video evaluation and alignment. However, the trade-off between evaluation accuracy and inference efficiency places high demands on the quality of training supervision. Existing approaches often rely on holistic judges with fixed rubrics or open-ended reasoning, leading to incomplete inspection, unfaithful justification, and entangled attribution. We introduce FIRM-Video, a unified checklist-driven data construction framework based on a check-before-score principle: construct dimension-specific checklists, verify each criterion against temporal visual evidence, and aggregate only verified decisions. For Instruction Following, FIRM-Video decomposes prompts into weighted atomic requirements; for World Coherence, it constructs prompt-calibrated, target-specific checks grounded in visible entities and actions; and for Perceptual Quality, it applies a generic taxonomy of visual defects. The verified criteria and scores are further transformed into natural-language analyses for end-to-end reward modeling. Subsequently, we construct FIRM-Video-90K with 88,044 dimension-specific instances from 29,348 videos, and introduce FIRM-Video-Bench with 750 point-wise human annotations across 250 videos. The Qwen3-VL-based FIRM-Video-8B achieves the best overall MAE on FIRM-Video-Bench while consistently delivering the highest VBench Total, Quality, and Semantic Scores in Best-of-8 sampling across three video generators.

Quantifying the realism of images remains a challenging problem in the field of artificial intelligence. For example, an image of Albert Einstein holding a smartphone violates common-sense because modern smartphone were invented after Einstein's death. We introduce a novel method for assessing image realism using Large Vision-Language Models (LVLMs) and Natural Language Inference (NLI). Our approach is based on the premise that LVLMs may generate hallucinations when confronted with images that defy common sense. Using LVLM to extract atomic facts from these images, we obtain a mix of accurate facts and erroneous hallucinations. We proceed by calculating pairwise entailment scores among these facts, subsequently aggregating these values to yield a singular reality score. This process serves to identify contradictions between genuine facts and hallucinatory elements, signaling the presence of images that violate common sense. Our approach has achieved a new state-of-the-art performance in zero-shot mode on the WHOOPS! dataset.

We introduce PerceptionBench, a benchmark specifically designed to evaluate the atomic visual perception capabilities of Multimodal Large Language Models (MLLMs). Existing benchmarks often fail to isolate perception: holistic evaluations conflate perceptual errors with failures in reasoning or domain knowledge, while application-driven benchmarks only cover narrow, fragmented domains shaped by heuristic designs. To address these limitations, PerceptionBench adopts a bottom-up approach: by diagnosing the earliest failure points in the responses of frontier MLLMs across 42 existing benchmarks, we construct an error taxonomy whose perception branch defines ten atomic perceptual capabilities. Guided by this taxonomy, we construct 3,000 verified questions with short, unambiguous answers, each isolating a single capability, with difficulty stemming from perception rather than reasoning or knowledge. Benchmark results across sixteen frontier MLLMs reveal that atomic perception remains largely unsolved---no model reaches 60\% accuracy, perception-related hallucination is the weakest capability on average, and similar overall scores conceal sharply divergent capability profiles. PerceptionBench thus provides a capability-level standard for measuring and diagnosing the visual perception boundaries of MLLMs.

Image retrieval has traditionally been formulated as a point-wise matching problem, where each candidate image is scored in isolation. However, this atomic paradigm fails to capture the complexity of human search intent within personal photo collections, where users often seek compact visual stories bound by structural relations rather than isolated snapshots. To address this limitation, we introduce **Image Bundle Composition (IBC)**, a novel paradigm that shifts the objective from ranking individual images to dynamically composing cohesive image bundles from a massive, unstructured photo pool. Since target bundles are not predefined, IBC presents a severe combinatorial explosion challenge and demands modeling non-decomposable joint relevance. To establish this paradigm, we construct **IBCBench**, the first IBC benchmark dataset containing 109,467 images and 667 verified queries, built via a semi-automated verification pipeline. Furthermore, we propose **BundleWeaver**, an agentic framework that reformulates IBC as query-conditioned incremental hyperedge discovery. By employing a Large Language Model to adaptively search for missing relational roles and utilizing a Vision-Language Model for whole-bundle verification, BundleWeaver effectively navigates the combinatorial space. Extensive experiments demonstrate that while state-of-the-art embedding models and static decompose-and-rerank paradigms suffer from relational blindness, BundleWeaver achieves substantial performance gains, highlighting the necessity of shifting from atomic scoring to dynamic relational composition. Our dataset and code are available.

We propose a new score-based approach to generate 3D molecules represented as atomic densities on regular grids. First, we train a denoising neural network that learns to map from a smooth distribution of noisy molecules to the distribution of real molecules. Then, we follow the neural empirical Bayes framework [Saremi and Hyvarinen, 2019] and generate molecules in two steps: (i) sample noisy density grids from a smooth distribution via underdamped Langevin Markov chain Monte Carlo, and (ii) recover the ``clean'' molecule by denoising the noisy grid with a single step. Our method, VoxMol, generates molecules in a fundamentally different way than the current state of the art (i.e., diffusion models applied to atom point clouds). It differs in terms of the data representation, the noise model, the network architecture and the generative modeling algorithm. VoxMol achieves comparable results to state of the art on unconditional 3D molecule generation while being simpler to train and faster to generate molecules.

Large language models (LLMs) are notorious for hallucinating, i.e., producing erroneous claims in their output. Such hallucinations can be dangerous, as occasional factual inaccuracies in the generated text might be obscured by the rest of the output being generally factual, making it extremely hard for the users to spot them. Current services that leverage LLMs usually do not provide any means for detecting unreliable generations. Here, we aim to bridge this gap. In particular, we propose a novel fact-checking and hallucination detection pipeline based on token-level uncertainty quantification. Uncertainty scores leverage information encapsulated in the output of a neural network or its layers to detect unreliable predictions, and we show that they can be used to fact-check the atomic claims in the LLM output. Moreover, we present a novel token-level uncertainty quantification method that removes the impact of uncertainty about what claim to generate on the current step and what surface form to use. Our method Claim Conditioned Probability (CCP) measures only the uncertainty of particular claim value expressed by the model. Experiments on the task of biography generation demonstrate strong improvements for CCP compared to the baselines for six different LLMs and three languages. Human evaluation reveals that the fact-checking pipeline based on uncertainty quantification is competitive with a fact-checking tool that leverages external knowledge.

Generative models for structure-based drug design are often limited to a specific modality, restricting their broader applicability. To address this challenge, we introduce FuncBind, a framework based on computer vision to generate target-conditioned, all-atom molecules across atomic systems. FuncBind uses neural fields to represent molecules as continuous atomic densities and employs score-based generative models with modern architectures adapted from the computer vision literature. This modality-agnostic representation allows a single unified model to be trained on diverse atomic systems, from small to large molecules, and handle variable atom/residue counts, including non-canonical amino acids. FuncBind achieves competitive in silico performance in generating small molecules, macrocyclic peptides, and antibody complementarity-determining region loops, conditioned on target structures. FuncBind also generated in vitro novel antibody binders via de novo redesign of the complementarity-determining region H3 loop of two chosen co-crystal structures. As a final contribution, we introduce a new dataset and benchmark for structure-conditioned macrocyclic peptide generation. The code is available at https://github.com/prescient-design/funcbind.

A large share of day-to-day work in professional domains happens inside PDF files: benefits packets, leases, datasheets, clinical guidelines, construction plans. Benchmarks for document AI have generally measured the required capabilities in isolation: OCR, layout analysis, chart reasoning, table QA, document VQA. A high score on any one of them does not necessarily reveal whether a model can answer a realistic question that someone in the field would actually ask about a specific PDF. GDP_pdf is a benchmark built to measure this directly. It consists of question-document pairs authored by working professionals in ten fields, and a candidate question was kept only when at least two frontier multimodal models failed it in a way that mattered: a wrong answer, missed decisive evidence, or a fabricated claim, rather than a superficial difference such as style. Each item comes with a rubric of atomic criteria, so we can report a graded rubric score as well as a strict task-level pass rate, and each item is tagged against a taxonomy of eleven capabilities in three tiers, spanning text extraction and grounding, table and chart comprehension, cross-referencing, spatial reasoning, and abstention on unsupported queries. We report results for seventeen frontier models on the 100-item benchmark: the best model passes only 30.7% of the items and the worst passes 2%. Most errors trace back to a small set of recurring loss patterns: misaligned tables, misread charts, skipped footnotes and exclusions, miscounted floor-plan symbols, scan noise, and amendments that supersede earlier text.

Detailed captions transfer visual information into vision-language model supervision, but quality is easily conflated with length: long single-pass outputs still miss small objects, text, and spatial relations or promote uncertain observations into confident claims. We formulate fine-grained captioning as recoverable visual information transfer, in which a teacher acquires missing evidence under a finite observation budget and converts it into reusable supervision. ZoomCap uses a draft caption to route conditional knowledge retrieval, OCR-sensitive reading, coverage-gap recovery, and adaptive visual zooming, allocating deeper crops only to the most complex eligible region, deriving spatial relations from grounded geometry, and fusing non-duplicate evidence. We also introduce FactCycle, which scores caption-derived atomic claims on two blind anchors--source image (truthfulness) and reconstruction (realizability)--separating fabrication from generator loss claim by claim; human and multi-judge comparisons complement this fact-level view. Against Qwen3.5-397B-A17B captions, ZoomCap achieves an 81.9% human tie-adjusted preference score with a teacher over 10x smaller, and FactCycle counts 52.4 transferred claims per image vs. 31.5 for ScaleCap. The evidence also transfers: in continual pre-training, ZoomCap-450K improves the 11-benchmark average by 1.31-2.38 points over the strongest competing corpus and Ling-Tiny-VL-v3 gains 1.4 points on a production document/OCR monitor suite (1.5 on perception) at 60B tokens; in medical pre-training, 2.64M ZoomCap-captioned images improve five VQA benchmarks by 3.04 points (vs. 1.76 for same-image Gemini-3.1-Pro captions).

Evaluating LLM agents on benchmarks like SWE-Bench and GAIA can be expensive, time-consuming, and requires complex infrastructure. A single evaluation can cost thousands of dollars and take days to complete. In contrast, non-agentic LLM benchmarks that test individual capabilities (e.g., reasoning, code generation) are fast and cheap to run. In this paper, we investigate whether performance on expensive agentic benchmarks can be accurately predicted by the performance on a small, carefully selected subset of atomic evaluation instances. We introduce PACE, a framework that constructs proxy benchmarks by selecting instances from existing non-agentic evaluations whose aggregate scores most reliably predict model performances on agentic benchmarks. Given a pool of candidate instances spanning atomic capabilities, PACE fits a regression that maps a model's scores on a compact subset of source instances to its score on the target agentic benchmark. The subset itself is curated by combining two complementary instance-selection strategies, target-relevance local selection and globally informative global selection. We apply PACE to the 4 target agentic benchmarks in this paper, which yields PACE-Bench, the concrete proxy benchmark that we evaluate in the paper. Experiments across 14 models, 4 agentic benchmarks, and 19 non-agentic benchmarks show that PACE-Bench predicts agentic scores with leave-one-out cross-validation (LOOCV) mean absolute error (MAE) under 4%, Spearman correlation above 0.80, and pairwise model-ranking accuracy around 85%, all at much less than 1% of the full agentic evaluation cost. We further analyze the selected proxy instances, revealing which skills each agentic benchmark uniquely demands. PACE enables practitioners to obtain reliable estimates of agentic performance during model development, selection, and routing, without the overhead of full agent evaluation.

We introduce PerceptionRubrics, a rubric-based evaluation framework that addresses the gap between saturated benchmark scores and real-world brittleness. Shifting evaluation from holistic semantic matching to rigorous atomic auditing, PerceptionRubrics pairs 1,038 information-dense images with over 12,000 instance-specific rubrics. These criteria are derived from golden captions constructed via a novel Circular Peer-Review consensus pipeline and then distilled into a dual-stream system of Must-Right (essential facts) and Easy-Wrong (fine-grained details) rubrics. Crucially, PerceptionRubrics implements a Gated Scoring mechanism: unlike linear averages, failure on mandatory visual facts triggers sharp binary penalties. Extensive evaluation yields critical insights: (1) The Reliability Gap: models often verify fragmented elements correctly yet fail strict conjunctive constraints, exposing brittleness in dense domains; (2) Open-Closed Stratification: contrary to reasoning trends, we reveal a persistent 8% perception deficit between open-source and proprietary frontiers; and (3) Human-Aligned Rigor: our gated metrics substantially out-align conventional benchmarks, validating that strict perceptual fidelity is the prerequisite for reliable generation.

We introduce Office Comprehension Bench (OCB), the first public benchmark to jointly evaluate LLM systems on Word, Excel, and PowerPoint comprehension over native file formats (.docx, .xlsx, .pptx) and their variants. OCB consists of two tracks. File Fidelity Q&A tests structural and visual perception of office artifacts - tables, charts, embedded images, formulas, and app-specific elements such as headers, speaker notes, and named ranges. Domain Q&A tests expert-level reasoning grounded in real-world industry documents across 12 professional domains, with queries requiring multi-step analysis and synthesis across documents. Each reference answer is decomposed into atomic, binary-gradable claims, and an ensemble of LLM judges scores responses against each claim independently. Even the strongest frontier system in its default reasoning mode reaches only about 59.3% on Domain Q&A; increasing thinking depth within a tier does not move performance materially, while moving to a higher product tier yields modest gains. We release the dataset, evaluation tooling, judge prompt, and a public leaderboard.

We introduce DAHL, a benchmark dataset and automated evaluation system designed to assess hallucination in long-form text generation, specifically within the biomedical domain. Our benchmark dataset, meticulously curated from biomedical research papers, consists of 8,573 questions across 29 categories. DAHL evaluates fact-conflicting hallucinations in Large Language Models (LLMs) by deconstructing responses into atomic units, each representing a single piece of information. The accuracy of these responses is averaged to produce the DAHL Score, offering a more in-depth evaluation of hallucinations compared to previous methods that rely on multiple-choice tasks. We conduct experiments with 8 different models, finding that larger models tend to hallucinate less; however, beyond a model size of 7 to 8 billion parameters, further scaling does not significantly improve factual accuracy. The DAHL Score holds potential as an efficient alternative to human-annotated preference labels, being able to be expanded to other specialized domains. We release the dataset and code in public.

Large Language Models (LLMs) are increasingly deployed in enterprise applications, yet their reliability remains limited by hallucinations, i.e., confident but factually incorrect information. Existing detection approaches, such as SelfCheckGPT and MetaQA, primarily target standalone LLMs and do not address the unique challenges of Retrieval-Augmented Generation (RAG) systems, where responses must be consistent with retrieved evidence. We therefore present MetaRAG, a metamorphic testing framework for hallucination detection in Retrieval-Augmented Generation (RAG) systems. MetaRAG operates in a real-time, unsupervised, black-box setting, requiring neither ground-truth references nor access to model internals, making it suitable for proprietary and high-stakes domains. The framework proceeds in four stages: (1) decompose answers into atomic factoids, (2) generate controlled mutations of each factoid using synonym and antonym substitutions, (3) verify each variant against the retrieved context (synonyms are expected to be entailed and antonyms contradicted), and (4) aggregate penalties for inconsistencies into a response-level hallucination score. Crucially for identity-aware AI, MetaRAG localizes unsupported claims at the factoid span where they occur (e.g., pregnancy-specific precautions, LGBTQ+ refugee rights, or labor eligibility), allowing users to see flagged spans and enabling system designers to configure thresholds and guardrails for identity-sensitive queries. Experiments on a proprietary enterprise dataset illustrate the effectiveness of MetaRAG for detecting hallucinations and enabling trustworthy deployment of RAG-based conversational agents. We also outline a topic-based deployment design that translates MetaRAG's span-level scores into identity-aware safeguards; this design is discussed but not evaluated in our experiments.

We present MagicSelector, a joint optimization framework integrating Counterfactual task decomposition, Progressive reranking, and Dynamic Top-K, designed to address the fundamental challenges of tool retrieval in agents. MagicSelector is a specialized framework capable of translating ambiguous user instructions into executable atomic subtasks and guiding high-precision tool retrieval, effectively mitigating redundant noise and severe context distraction in out-of-domain (OOD) scenarios.We empower MagicSelector with these capabilities through three key contributions: (1) a preferenceguided counterfactual task decomposition mechanism that utilizes a counterfactual reward to quantify the marginal causal gain of decomposition on retrieval ranking, effectively imposing fine-grained structural supervision on logical coherence; (2) a progressive tool reranking method driven by self-distillation hard negative mining, which optimizes both point-wise and list-wise relevance to enhance fine-grained discrimination among highly similar tools; and (3) a dual semantic boundary-aware dynamic Top-K strategy that adaptively monitors reranking score cliffs and inter-tool semantic shifts to dynamically truncate the candidate list, maximizing relevant tool recall while filtering long-tail noise. Evaluated on MTDTool, the first task decomposition benchmark we constructed tailored for mobile multi-turn interactions with process-level annotations, MagicSelector yields promising performance. Extensive experiments demonstrate that MagicSelector significantly outperforms state-of-the-art methods in terms of tool retrieval accuracy, OOD generalization capability, and overall token efficiency, thereby demonstrating the effectiveness of our proposed framework.

Evaluating LLM outputs remains a major bottleneck in NLP: human evaluation is expensive and slow, lexical metrics correlate poorly with human judgments on open-ended generation, and holistic LLM judges often produce opaque scores that are hard to debug. We propose BINEVAL, a framework that decomposes evaluation criteria into atomic binary questions and aggregates the resulting verdicts into interpretable, multi-dimensional scores. Given a task prompt, a meta-prompt generates fine-grained evaluation questions, and an LLM answers them independently for each output, yielding transparent question-level feedback together with calibrated overall scores. This decomposition makes evaluation easier to inspect, easier to diagnose, and directly usable for prompt improvement. Across SummEval, Topical-Chat, and QAGS, BINEVAL matches or outperforms strong baselines including UniEval and G-Eval, with especially strong results on factual consistency benchmarks such as QAGS. Beyond competitive correlation with human judgments, BINEVAL better matches human score distributions and avoids the ceiling effects common in prior LLM judges, leading to better discrimination between borderline and clearly flawed outputs. We further show that the same question-level feedback supports iterative prompt optimization, improving evaluator prompts on summarization and generation prompts on IFBench under both self-update and cross-model update settings. Overall, BINEVAL provides a task-agnostic, training-free, and interpretable evaluation framework that combines strong empirical performance with practical diagnostic and optimization value.

Faithfulness -- how precisely a generated image aligns with its prompt -- is increasingly central to the real-world utility of text-to-image (T2I) models. Existing faithfulness benchmarks, however, rely on simple atomic instructions, on which top-tier systems already achieve near-perfect scores. As T2I models enter creative workflows, users issue multi-faceted requests combining intricate spatial relationships, stylistic constraints, and complex text rendering. In this setting, a single binary VLM-judge score no longer captures which specific constraints the model fails to satisfy. We introduce Arena-T2I Hard, a 310-prompt stress benchmark drawn from real arena T2I logs, with approximately 30 decomposed yes/no constraints per prompt spanning six categories, including text rendering. The strongest closed-source system we evaluate reaches 0.855 with a 33~pp performance gap across 11 systems, demonstrating substantial discriminative power. Moreover, high public-arena rankings fail to predict faithfulness, confirming that holistic Bradley-Terry (BT) preference scores prioritize aesthetics over fine-grained prompt adherence. We propose a dependency-aware checklist reward that decomposes each prompt into a DAG of yes/no questions and zeroes descendants of failed parents, turning faithfulness into a per-constraint training signal. Combined with a BT aesthetic reward via group-decoupled normalization (GDPO), which standardizes each reward within its rollout group so neither collapses, the recipe attains a strictly better faithfulness-aesthetics trade-off on SD3.5-Medium and FLUX.1-dev under MMRB2 pairwise comparisons than every single-reward, naive weighted-sum, or 4-reward BT-ensemble baseline.

Natural language information needs over symbolic music scores rarely reduce to a single step lookup. Many queries require compositional Music Information Retrieval (MIR) that extracts multiple pieces of evidence from structured notation and aggregates them to answer the question. This setting remains challenging for Large Language Models due to the mismatch between natural language intents and symbolic representations, as well as the difficulty of reliably handling long structured contexts. Existing benchmarks only partially capture these retrieval demands, often emphasizing isolated theoretical knowledge or simplified settings. We introduce CSyMR-Bench, a benchmark for compositional MIR in symbolic music reasoning grounded in authentic user scenarios. It contains 126 multiple choice questions curated from community discussions and professional examinations, where each item requires chaining multiple atomic analyses over a score to derive implicit musical evidence. To support diagnosis, we provide a taxonomy with six query intent categories and six analytical dimension tags. We further propose a tool-augmented retrieval and reasoning framework that integrates a ReAct-style controller with deterministic symbolic analysis operators built with music21. Experiments across prompting baselines and agent variants show that tool-grounded compositional retrieval consistently outperforms Large Language Model-only approaches, yielding 5-7% absolute accuracy gains, with the largest improvements on analysis-heavy categories.

As LLM-based agents increasingly operate in high-stakes domains with real-world consequences, ensuring their behavioral safety becomes paramount. The dominant oversight paradigm, LLM-as-a-Judge, faces a fundamental dilemma: how can probabilistic systems reliably supervise other probabilistic systems without inheriting their failure modes? We argue that formal verification offers a principled escape from this dilemma, yet its adoption has been hindered by a critical bottleneck: the translation from natural language requirements to formal specifications. This paper bridges this gap by proposing , a neuro-symbolic framework that employs a bidirectional Formal-of-Thought architecture: LLMs serve as specification compilers that top-down decompose high-level human intent into atomic, verifiable constraints, then bottom-up prove compliance using Dafny specifications and Z3 Satisfiability modulo theories solving, which produces mathematical guarantees rather than probabilistic scores. We validate across three benchmarks spanning behavioral safety, multi-domain constraint adherence, and agentic upward deception detection. Experiments on 7 agent models demonstrate that achieves an average improvement of 16.6% over LLM-as-a-Judge baselines, enables weak-to-strong generalization where a 7B judge achieves over 90% accuracy detecting deception from 72B agents, and provides near-linear safety improvement through iterative refinement.

Detailed audio-video joint captioning is essential for multimodal video understanding and generation. However, prior works are constrained by three main limitations: (1) the scarcity of high-quality public datasets with fine-grained audio-visual joint captions; (2) reinforcement-learning methods that rely on coarse reward signals; and (3) the lack of a benchmark and metric for evaluating detailed audiovisual captions at the atomic level. To address these challenges, we propose: (1) AVCap-100K, a high-quality dataset of 100K temporally aligned, detail-rich audio-video captions; (2) AVCap, a model optimized via Detail-Aware GRPO (Da-GRPO) that achieves state-of-the-art performance among open-source models and matches or surpasses proprietary models on several evaluations; and (3) AVCap-Bench and AVCap-Score, a specialized benchmark and metric for evaluating atomic-level details in audiovisual captions. Our code, models, and datasets are available at https://huggingface.co/collections/Apryle/avcap.

Parallel coding agents can independently produce locally valid changes while still interfering at integration time, expanding beyond planned scope, or relying on premises invalidated by concurrent work. Existing responses emphasize communication, isolated workspaces, late merge-time repair, continuous supervision, or post-hoc runtime recovery. This paper presents Claim Plane, a model-agnostic coordination architecture that treats concurrent software change as a pre-write admission problem. Before implementation, each worker declares a versioned ChangeIntent containing an exact base commit, typed resources, dependencies, and operations marked as committed or contingent. A deterministic control plane atomically admits compatible intents, constrains same-file parallelism to declared regions, serializes unresolved overlap, tracks dependency invalidation, and fails closed on ambiguous authority. During execution, a contingent mutation does not reserve write ownership initially; the first attempted mutation triggers atomic scope promotion and re-admission against the current active set. Brokered execution binds capabilities to intent versions, leases, OS-level worktree locks, monotonic fencing tokens, and Git-tree provenance, while integration verifies immutable patches and evidence. A preliminary six-pair CooperBench mechanism check is reported only as feasibility evidence: static Claim Plane achieved 6/6 pair passes with full serialization, while dynamic scope retained parallel admission on half of the pairs, performed seven successful scope promotions, and failed closed on two undeclared mutations. The sample is intentionally too small for comparative claims. We argue that separating probabilistic planning from deterministic authority provides a foundation for a future learned semantic-dependency model and frontier-model escalation only on unresolved cases.

A benchmark score compares a system output against a reference, and methodological attention falls almost entirely on the first term. We measure the second. The retained annotation record of a six-language benchmark for personally identifiable information contains two independent annotator labellings, the aggregate shipped as gold, and a reviewer gold from independent expert re-annotation of a sample. Using it, we hold the scored output fixed and exchange the reference. The score moves by 4.95 F1 points for one output and 2.00 for the other (95% CIs [3.23, 6.27] and [0.26, 3.37]), and by 7.55 in the worst language. The comparison between two outputs moves as well: the paired interaction between reference and system is +2.95 points (CI [+1.97, +3.87]), survives correction for multiple testing, and changes one language's margin outright. The cause is an undocumented aggregation default that usually kept one annotator when adjudication did not fire, making the shipped reference a partial copy of an output being scored. We report the resulting reference-sensitivity band, show how to compute one from any retained annotation record, and argue that the quantity belongs beside the score.

ARC-AGI-3 evaluates agents in interactive environments whose rules and objectives must be inferred from observation. We present Kepler, an open-source harness that represents hypotheses as executable world models and validates them through retrospective transition checks and conditional prediction checks. Under one frozen Claude Opus 5 configuration, Kepler obtained a server-verified 100.00 RHAE on all 25 public games, with no per-game model selection or score-conditioned reruns. On 181 of 183 completed levels, the final Opus attempt used no more actions than the corresponding median-human baseline. The retained board runs used 8,256 environment actions, of which 7,292 occurred in scored levels. Retained local provider-session records yield 858.0 million tokens, 97.37% cache reads, and a \$777.72 cost at September 1, 2026 API list-equivalent rates. We also report three evaluation failures: source-code leakage that produced an invalid perfect run, agents reconstructing a removed harness in a control condition, and autonomous repair masking a broken planner. A single-game observation case study showed that animation frames contained task-relevant information absent from settled text grids. Across the final Claude Opus 5 and GPT-5.6 Sol boards, 48 of 50 game-model cells reached 100. These results indicate that public-set score alone has limited discriminative value and motivate first-attempt, cost-conditioned, and verification-aware reporting.

Benchmarks for scientific artificial intelligence are mostly written to be scored: multiple-choice questions, curated agent tasks with reference solutions, or simulators with a known generative structure. Real scientific requests arrive differently. They are underspecified, they carry attachments, and lack ground truth. We report K-Bench 01, an evaluation built from first-turn requests sampled from live user traffic on K-Dense Web and run end to end by nine frontier models in identical sandboxes, yielding 1,602 completed agent runs. Three blinded language-model judges scored every run against an eight-dimension rubric. On a rubric whose 8-anchor instructs judges that a domain scientist would accept the work with minor edits, no model clears the line under all three judges. gpt-5.6-sol has the highest pooled mean, 8.04, but its 95% interval [7.80, 8.23] spans the threshold, and two of the three judges rank claude-opus-5 first instead. We therefore report the ordering of systems as the reproducible quantity, the absolute level as an attribute of the instrument, and the top of the table as unresolved. Across all 39,934 scored judgments -- the eight dimension scores plus a holistic overall for each assessment, excluding not-applicable cells -- 47.6% fall below the 8-point threshold. Difficulty is not uniform across the rubric: scientific accuracy averages 6.22 against 7.33 for communication, on identical denominators and in the same direction within every one of the nine models. The single leading failure tag is overclaiming, on 31.4% of assessments. We argue that the informative quantity for scientific agents is not a leaderboard position but the joint distribution of what was delivered, what was claimed, and what artifacts were produced.

Agentic systems are evaluated on benchmarks where agents interact with environments to solve tasks. Most papers report a pass@1 score computed from a single run per task, assuming this gives a reliable performance estimate. We test this assumption by collecting 60,000 agentic trajectories on SWE-Bench-Verified, spanning three models and two scaffolds. We find substantial variance: single-run pass@1 estimates vary by 2.2 to 6.0 percentage points depending on which run is selected, with standard deviations exceeding 1.5 percentage points even at temperature 0. This variance has critical implications: reported improvements of 2--3 percentage points may reflect evaluation noise rather than genuine algorithmic progress. Through token-level analysis, we show that trajectories diverge early, often within the first few percent of tokens, and that these small differences cascade into different solution strategies. To enable reliable evaluation of agentic systems, we recommend three concrete practices: (1) estimate pass@1 from multiple independent runs per task, especially when measuring small improvements, (2) use statistical power analysis to determine the number of runs needed to detect expected effect sizes, and (3) consider metrics like pass@k (optimistic bound) and pass^k (pessimistic bound) with k>1 to better characterize the full performance envelope. While these practices increase evaluation cost, they are essential for distinguishing genuine scientific progress from statistical noise.

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.

As large language models (LLMs) are increasingly applied to real-world legal tasks, evaluating the reliability of their open-ended legal responses has become essential. These tasks require context-sensitive answers and allow little room for error, motivating fine-grained and diagnostic evaluation that can identify specific sources of response quality failures. We introduce LexRubric, a rubric-based benchmark for evaluating open-ended Chinese legal tasks. LexRubric contains 649 instances from legal consultation and judicial examination, which reflect both everyday legal needs and professional legal reasoning and cover 14 legal scenarios. It further includes 12,337 expert-written atomic scoring criteria organized under a unified six-dimensional framework, enabling accurate evaluation and diagnostic analysis across tasks and evaluation dimensions. To validate the reliability of the evaluation, we test multiple judge models and compare model-based judgments with human judgments. We further evaluate 18 recent general and legal-domain LLMs on LexRubric. Results show that different models exhibit distinct capability profiles, and that open-ended legal question remains challenging for current LLMs. Data is available at: https://github.com/foggpoy/LexRubric.

Exemplar methods separate a mixture by picking one learned spectrum per source and deforming it until it explains the observation, making one deformation class both reconstructor and selector. We show that the second role is empty as soon as the class can interpolate: the rule then ranks candidates on its regulariser, a choice made before the data, and the estimates sum back to the mixture whichever candidate wins. The condition is a parameter count, so the diagnosis runs before any experiment. On free per-bin deformation of complex spectra it explains the observed pathologies at once: a criterion that ranks candidates by their loudness, and half an output that is a mask on the mixture rather than an exemplar. The same theorem prescribes the repair, a selection class poorer than the reconstruction class: one complex gain and one pure delay rank the candidates, and a local combination of the best-aligned atoms, fitted jointly in closed form, rebuilds them. On MUSDB18 against the exact ceiling of the masking class, the distance between the criterion and an oracle inside its own candidate pool falls under the rigid selector from 6.2-7.7 to 0.5-2.8 dB, though only 0.9-1.2 dB of that reaches the output, and the per-frame latency of the deployed rule by a factor of 47 to 806. One lock remains, quantified: atoms are scored against the mixture, so the score carries a term for the other source that absorbs the capacity the reconstruction class gains, leaving the output 10.0 dB under the ceiling. Ranking hypotheses by the residual of a fit free enough to interpolate ranks them on the regulariser alone.

In this paper we show that reporting a single performance score is insufficient to compare non-deterministic approaches. We demonstrate for common sequence tagging tasks that the seed value for the random number generator can result in statistically significant (p < 10^-4) differences for state-of-the-art systems. For two recent systems for NER, we observe an absolute difference of one percentage point F1-score depending on the selected seed value, making these systems perceived either as state-of-the-art or mediocre. Instead of publishing and reporting single performance scores, we propose to compare score distributions based on multiple executions. Based on the evaluation of 50.000 LSTM-networks for five sequence tagging tasks, we present network architectures that produce both superior performance as well as are more stable with respect to the remaining hyperparameters.

In recent years, diffusion models trained on equilibrium molecular distributions have proven effective for sampling biomolecules. Beyond direct sampling, the score of such a model can also be used to derive the forces that act on molecular systems. However, while classical diffusion sampling usually recovers the training distribution, the corresponding energy-based interpretation of the learned score is often inconsistent with this distribution, even for low-dimensional toy systems. We trace this inconsistency to inaccuracies of the learned score at very small diffusion timesteps, where the model must capture the correct evolution of the data distribution. In this regime, diffusion models fail to satisfy the Fokker--Planck equation, which governs the evolution of the score. We interpret this deviation as one source of the observed inconsistencies and propose an energy-based diffusion model with a Fokker--Planck-derived regularization term to enforce consistency. We demonstrate our approach by sampling and simulating multiple biomolecular systems, including fast-folding proteins, and by introducing a state-of-the-art transferable Boltzmann emulator for dipeptides that supports simulation and achieves improved consistency and efficient sampling. Our code, model weights, and self-contained JAX and PyTorch notebooks are available at https://github.com/noegroup/ScoreMD.

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.

As AI systems are increasingly used to draft radiology reports, reliably evaluating their clinical quality remains a critical challenge. Large language model (LLM)-based metrics are now the best-correlated with radiologist judgment, yet they output a single opaque score that neither a clinician nor a model builder can easily interpret or audit. We introduce RadMatch, a multi-stage, LLM-based metric that decomposes report comparison into a structured finding-level matching with significance-aware scoring and error characterization across seven clinical attribute dimensions (status, location, severity, morphology, certainty, longitudinal comparison, and measurement). The main score is the actionable-error count, both interpretable and auditable. Candidate findings are graded correct, partial, or incorrect, and unmatched findings are counted as missed or hallucinated. Triage and actionable safety recall/precision and per-subset views add complementary, deployment-oriented lenses. Across two expert benchmarks, RadMatch is the most clinically aligned metric, matching inter-radiologist agreement on ReXVal and more than doubling the best prior metric on the harder RadEvalExpert. Relying only on few-shot prompting, it is designed to extend to other modalities and anatomies. We will release RadMatch as open-source code with an interactive dashboard for inspecting results.

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.

Large Language Models (LLMs) have demonstrated strong capabilities in text-based tasks but struggle with the complex reasoning required for physics problems, particularly in advanced arithmetic and conceptual understanding. While some research has explored ways to enhance LLMs in physics education using techniques such as prompt engineering and Retrieval Augmentation Generation (RAG), not enough effort has been made in addressing their limitations in physics reasoning. This paper presents a novel approach to improving LLM performance on physics questions using Reinforcement Learning with Human and Artificial Intelligence Feedback (RLHAIF). We evaluate several reinforcement learning methods, including Proximal Policy Optimization (PPO), Direct Preference Optimization (DPO), and Remax optimization. These methods are chosen to investigate RL policy performance with different settings on the PhyQA dataset, which includes challenging physics problems from high school textbooks. Our RLHAIF model, tested on leading LLMs like LLaMA2 and Mistral, achieved superior results, notably with the MISTRAL-PPO model, demonstrating marked improvements in reasoning and accuracy. It achieved high scores, with a 58.67 METEOR score and a 0.74 Reasoning score, making it a strong example for future physics reasoning research in this area.

Recent advances in instruction-guided image editing underscore the need for effective automated evaluation. While Vision-Language Models (VLMs) have been explored as judges, open-source models struggle with alignment, and proprietary models lack transparency and cost efficiency. Additionally, no public training datasets exist to fine-tune open-source VLMs, only small benchmarks with diverse evaluation schemes. To address this, we introduce ADIEE, an automated dataset creation approach which is then used to train a scoring model for instruction-guided image editing evaluation. We generate a large-scale dataset with over 100K samples and use it to fine-tune a LLaVA-NeXT-8B model modified to decode a numeric score from a custom token. The resulting scorer outperforms all open-source VLMs and Gemini-Pro 1.5 across all benchmarks, achieving a 0.0696 (+17.24%) gain in score correlation with human ratings on AURORA-Bench, and improving pair-wise comparison accuracy by 4.03% (+7.21%) on GenAI-Bench and 4.75% (+9.35%) on AURORA-Bench, respectively, compared to the state-of-the-art. The scorer can act as a reward model, enabling automated best edit selection and model fine-tuning. Notably, the proposed scorer can boost MagicBrush model's average evaluation score on ImagenHub from 5.90 to 6.43 (+8.98%). Our code and models are available at https://github.com/SherryXTChen/ADIEE.git.

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.

The Kov\'ats Retention index (RI) is a quantity measured using gas chromatography and commonly used in the identification of chemical structures. Creating libraries of observed RI values is a laborious task, so we explore the use of a deep neural network for predicting RI values from structure for standard semipolar columns. This network generated predictions with a mean absolute error of 15.1 and, in a quantification of the tail of the error distribution, a 95th percentile absolute error of 46.5. Because of the Artificial Intelligence Retention Indices (AIRI) network's accuracy, it was used to predict RI values for the NIST EI-MS spectral libraries. These RI values are used to improve chemical identification methods and the quality of the library. Estimating uncertainty is an important practical need when using prediction models. To quantify the uncertainty of our network for each individual prediction, we used the outputs of an ensemble of 8 networks to calculate a predicted standard deviation for each RI value prediction. This predicted standard deviation was corrected to follow the error between observed and predicted RI values. The Z scores using these predicted standard deviations had a standard deviation of 1.52 and a 95th percentile absolute Z score corresponding to a mean RI value of 42.6.

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.

Techniques for reliable rubric-based LLM evaluation -- ensemble judging, bias mitigation, few-shot calibration -- are scattered across papers with inconsistent terminology and partial implementations. We introduce Autorubric, an open-source framework that unifies these rubric-based LLM evaluation lessons with opinionated defaults: analytic rubrics with binary, ordinal, and nominal criteria; single-judge and ensemble evaluation; few-shot calibration; bias mitigations; and psychometric reliability metrics. We validate on three benchmarks: RiceChem (college chemistry grading, 80\% accuracy with 5-shot calibration), ResearcherBench (deep research evaluation, 931 criteria, cross-judge agreement analysis), and CHARM-100, a new chatbot evaluation dataset combining all three criterion types with ground truth labels (87\% binary accuracy, moderate-to-substantial κ). Beyond measurement, per-criterion scores and explanations serve as optimization signals. We demonstrate how Autorubric's rubric-evaluation explanations raise a peer review agent's score from 0.47 to 0.85 (above the 0.82 expert-curated baseline), and its scores serve as RL rewards to produce statistically significant improvement on AdvancedIF (+0.039, Wilcoxon p = 0.032) with positive transfer to IFEval. In all of these cases, Autorubric enabled us to rapidly operationalize various rubric design choices and best practices with minimal effort.

Leaderboards rank long-horizon agents by their final outputs. Yet a higher score alone does not establish whether two systems are comparable or which stage accounts for the difference. Unequal evidence, inputs, or budgets can affect scores, and statistical corrections do not remove this mismatch. We introduce compositional controllability to address these questions. A comparison window covers one stage, several stages, or the whole agent. Our central result bounds the gap between observed and controlled score differences using only nuisance outside the window. This yields an admissibility test applied before scores are inspected. Inadmissible comparisons are refused. For admissible pairs, an ordering is certified only when the score gap exceeds the combined sampling and nuisance radii; otherwise, it remains undecided. These decisions give each system a rank interval. We introduce BioLitBench, a benchmark of 2,042 biomedical articles represented as structured claim graphs. Among seven published pipelines, a conventional statistical analysis declares a winner in 14 of 21 pairwise comparisons. Yet the top-ranked system alone received the target review's bibliography. To isolate pipeline performance, our test requires matched inputs and a fixed backbone model. It refuses 11 of the 21 comparisons, including every comparison involving the top-ranked system. Seven of the 14 conventional conclusions fall within these refused pairs. The same comparison windows support stage-level training. We train SCRIBE on Qwen3.8-27B using rewards measured at each stage's exit. Under matched evidence, SCRIBE achieves a certified rank interval of [1,2], with certified advantages over all evaluated published pipelines and the evaluated Claude and OpenAI agents. Under same pool, SCRIBE matches the strongest published retriever and is certified above three published pipelines.