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01.
bioRxiv (Bioinfo) 2026-06-11

inquiSTR: a toolkit for accurate and efficient population-scale tandem repeat genotyping and analysis

作者:
De Coster↗Kucukali↗Sleegers↗Rademakers↗

Tandem repeats are highly mutable genomic elements linked to human traits and diseases. Profiling large catalogs of tandem repeats from population-scale long-read sequencing data requires accurate and efficient tools. We introduce inquiSTR, a command-line toolkit for fast genome-wide tandem repeat length genotyping. inquiSTR, with efficient parallel processing and low-memory streaming algorithms, genotypes a genome-wide repeat catalog of 1.78 million loci in less than two minutes. Benchmarking shows high accuracy and significantly faster performance compared to existing tools and truth sets. inquiSTR also provides methods for downstream analyses such as population structure inference, association testing, and outlier detection.

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02.
arXiv (CS.LG) 2026-06-12

Differentiable Thermodynamic Phase-Equilibria for Machine Learning

作者:
Karim K. Ben Hicham↗Moreno Ascani↗Jan G. Rittig↗Alexander Mitsos↗

arXiv:2603.11249v3 Announce Type: replace Abstract: Accurate prediction of phase equilibria remains a central challenge in chemical engineering. Physics-consistent machine learning methods that incorporate thermodynamic structure into neural networks have recently shown strong performance for activity-coefficient modeling. However, extending such approaches to equilibrium data arising from an extremum principle, such as liquid-liquid equilibria, remains difficult. Here we present DISCOMAX, a differentiable algorithm for phase-equilibrium calculation that guarantees thermodynamic consistency at both training and inference, only subject to a user-specified discretization. The method combines discrete enumeration of feasible phase states with masked softmax aggregation in the backward pass, with the propagation of the true equilibrium state in the forward pass, using a straight-through gradient estimator to enable physics-consistent end-to-end learning of neural \gls{gE}-models. We show that this approach bears analogy to statistical thermodynamics, and we evaluate it on binary liquid-liquid equilibrium data where it outperforms existing surrogate-based methods, while offering a general framework for learning from different kinds of equilibrium data.

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03.
arXiv (math.PR) 2026-06-12

Fourier Dimensions of Mandelbrot Cascades under Minimal Integrability

作者:
Xiang Fang↗

arXiv:2606.08703v2 Announce Type: replace Abstract: This note announces exact Fourier dimension formulas for canonical Mandelbrot cascade measures under the minimal Kahane Peyriere integrability condition and records the canonical b adic extension on cubes. In the dyadic interval setting, the theorem is proved in a balanced vector weight model allowing dependence between sibling weights. Almost surely on non extinction, the Fourier, energy, and L2 dimensions all equal the energy exponent. The scalar specialization gives the canonical Mandelbrot Kahane Fourier dimension formula under the minimal integrability condition. On the circle, the endpoint formula is given by the endpoint lower local dimension exponent. For the b adic Mandelbrot cascade on cubes, the Fourier dimension is the minimum of 2 and the energy exponent, with the universal Fourier barrier at dimension two providing the high dimensional obstruction.

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04.
arXiv (CS.AI) 2026-06-19

ORAgentBench: Can LLM Agents Solve Challenging Operations Research Tasks End to End?

作者:
Jiajun Li↗Mingshu Cai↗Yixuan Li↗Yu Ding↗Ran Hou↗Guanyu Nie↗Xiongwei Han↗Wanyuan Wang↗

arXiv:2606.19787v1 Announce Type: new Abstract: Large language models are increasingly deployed as autonomous agents for multi-step tasks in executable environments, yet their ability to perform realistic operations research (OR) work remains unclear. Existing OR evaluations often decouple modeling from solving, rely on pre-formalized or text-only instances, and rarely test the full workflow from operational artifacts to validated decisions. In this work, we introduce ORAgentBench, an execution-grounded benchmark for evaluating autonomous agents on challenging end-to-end operations research tasks. It contains 107 human-reviewed tasks across diverse operational scenarios, each packaged in an isolated environment with a natural-language brief, multi-file data, configuration artifacts, and a required submission schema. Agents must write and run solution code, and their submissions are evaluated by hidden validators for schema validity, hard-constraint feasibility, and normalized objective quality. Experiments with fourteen frontier agent-model configurations show that current agents remain far from reliable OR practice. The best agent passes only 35.51% of all tasks and 20.59% of hard tasks, and many feasible submissions still fall below the required quality threshold. Failure analysis further shows that errors are dominated by strategic weaknesses, including missed operational rules, brittle formulations, weak feasible-solution construction, and insufficient solution improvement. OR-specific procedural skills increase hard-task feasibility, but do not reliably improve solution quality or pass rate. These results suggest that progress in OR agents requires moving beyond plausible optimization code toward dependable, high-quality operational decision-making.

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05.
arXiv (CS.LG) 2026-06-12

Ride, Track, and Recover: Pilot Randomized Trial of a Wearable Digital Self-Management Intervention During a Veteran Endurance-Cycling Program

作者:
Alan Ta↗Nilsu Salgin↗Caleb Armstrong↗Kala Phillips Reindel↗Farzan Sasangohar↗

arXiv:2606.13529v1 Announce Type: cross Abstract: Post-traumatic stress disorder (PTSD) in veterans is characterized by persistent hyperarousal and comorbid anxiety and depressive symptoms that are difficult to monitor and manage outside clinical settings. Thirteen veterans participating in a Project Hero cycling event in Texas were randomized by computer-generated sequence in a naturalistic setting to two arms: (1) digital intervention plus physical activity, or (2) physical activity only, plus a third at-home monitoring control cohort consisting of 7 veterans selected from the broader Project Hero veteran community. Continuous smartwatch sensing combined heart rate and accelerometer features to detect hyperarousal events, which were confirmed in real time by participants. Weekly self-report measures of anxiety, depression, and PTSD severity were collected. Generalized additive mixed models characterized nonlinear trajectories over time. Baseline-normalized hyperarousal trajectories differed significantly across conditions, with the digital intervention group (n=7) showing structured stabilization compared to late-study escalation in the physical-only group (n=3). Both cycling groups exhibited acute symptom improvements during the endurance event; however, the digital intervention group demonstrated a higher overall maintenance of gains. The at-home control group (n=4) showed gradual symptom declines. Perceived precision of ML detections varied substantially across individuals and was positively associated with symptom severity, with higher-severity participants confirming a greater proportion of detected events. These results suggest that coupling wearable detection with digital self-management tools may support stabilization of hyperarousal and symptom improvement while emphasizing the importance of personalization and human-centered design in wearable mental health systems.

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06.
arXiv (CS.LG) 2026-06-19

Structure-Oriented Randomized Neural Networks for Poisson-Nernst-Planck and Poisson-Nernst-Planck-Navier-Stokes Systems

作者:
Yunlong Li↗Fei Wang↗

arXiv:2606.19912v1 Announce Type: cross Abstract: We develop a structure-oriented randomized neural network framework, termed SO-RaNN, for the Poisson-Nernst-Planck (PNP) system and the Poisson-Nernst-Planck-Navier-Stokes (PNP-NS) system. The decoupled linearized subproblems are solved iteratively by randomized neural networks in a space-time framework. For the concentration variables, a pointwise cut-off is used to enforce positivity at the value level, and discrete mass-scaling factors are computed at selected correction instants and interpolated in time, so as to ensure exact mass matching at those instants and to promote approximate mass preservation between them. To introduce an auxiliary discrete dissipation mechanism, we further employ an SAV-type post-processing correction, which yields monotonicity of the SAV auxiliary variable under the ideal SAV update. For the PNP-NS system, a structure-preserving randomized neural network (SP-RaNN) is used for the velocity field, so that the velocity approximation satisfies the incompressibility constraint pointwise by construction. On the theoretical side, we derive residual-based estimates for the raw, uncorrected RaNN solvers of the linearized subproblems, formulate a conditional local-in-time convergence result for the raw outer Picard iteration of the PNP system, and analyze the value-level positivity correction together with the mass-correction and SAV post-processing steps. For the PNP-NS system, we establish an approximation result for the SP-RaNN space and provide a conditional error statement for the corresponding linearized Oseen-type problem. Numerical experiments demonstrate approximation accuracy in the source-driven manufactured tests and illustrate the intended value-level positivity correction, selected-time mass matching, computed free-energy curves based on the final gauge-fixed potential, and divergence-free approximation in benchmark tests.

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07.
arXiv (CS.AI) 2026-06-16

Localizing Credit at the Divergence: Path-Conditioned Self-Distillation for LLM Reasoning

作者:
Yu Li↗Shu Hong↗Tian Lan↗

arXiv:2606.15576v1 Announce Type: cross Abstract: Reinforcement learning from verifiable rewards assigns a single scalar to each rollout, leaving token-level credit assignment underspecified in long reasoning traces. On-policy self-distillation addresses this by letting the same model act as a teacher conditioned on privileged information, producing a dense per-token signal. But the common choice of a ground-truth answer is only an endpoint cue: on terse-answer tasks, the teacher falls silent at the intermediate positions where path-level guidance matters most. We propose Hindsight Self-Distillation (HSD), which conditions the teacher on a successful peer rollout drawn from the current training group. Such a peer is an exact sample from the success-conditioned policy, requiring no additional sampled rollouts. By providing a full successful continuation rather than only the final answer, the resulting credit signal concentrates at the divergence position between a failed rollout and a successful peer. Across Qwen3-8B and Qwen3-32B on math and code benchmarks, HSD obtains the best result against GRPO variants and on-policy distillation baselines, with the largest gains on terse-answer tasks such as AIME.

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08.
arXiv (CS.CV) 2026-06-11

i1: A Simple and Fully Open Recipe for Strong Text-to-Image Models

作者:
Boya Zeng↗Tianze Luo↗Shu Pu↗Jucheng Shen↗Taiming Lu↗Gabriel Sarch↗Zhuang Liu↗

Diffusion models have consistently driven progress in text-to-image generation. However, it is challenging to attribute recent progress to specific modeling and data choices: state-of-the-art open-weight models provide limited ablations, and do not disclose their training data and full training details. The research community needs fully open (weights, data, and code) models as a foundation for further research; yet existing fully open models still fall significantly short of leading models in performance. In this project, we conduct a systematic investigation of the modeling and data design choices in text-to-image diffusion training and inference with 300+ controlled experiments totaling 700K+ TPU v6e hours. Our experiments highlight several empirical findings (e.g., equal weighting is a strong default for mixing curated datasets) and simple design decisions (e.g., larger text encoder adapters improve performance with minimal added parameters) for training strong models. Guided by these insights, we train i1, a 3B-parameter text-to-image diffusion model using only publicly available datasets. i1 is competitive with leading models on five representative benchmarks (GenEval, DPG, PRISM, CVTG-2K, and LongText), and outperforms the best existing fully open model by 29.5 absolute percentage points on average. We provide the i1 checkpoints, training and inference code, and the data processing pipeline. Together, our findings and the i1 recipe establish a practical foundation for future open research in text-to-image diffusion models. Our code is available at https://github.com/zlab-princeton/i1.

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09.
arXiv (CS.CL) 2026-06-19

Characterizing Narrative Content in Web-scale LLM Pretraining Data

作者:
Teagan Johnson↗Elliott Ash↗Andrew Piper↗Maria Antoniak↗

The narrative composition of web-scale LLM pretraining corpora remains largely unexplored even though narrative is a fundamental mode of human communication. We present the first fine-grained study of narrative features in Dolma, a 3-trillion-token open pretraining corpus. Drawing on narrative theory, we design a framework spanning three core narrative elements (agency, setting, and events) operationalized as 11 interpretable dimensions. After sampling and annotating a diverse set of 400 passages, we finetune and validate NarraBERT, a RoBERTa-based model for fine-grained narrative prediction. We apply NarraBERT to 3M passages, resulting in a new dataset, NarraDolma. We find (i) narrative structure is measurable at scale across extremely heterogeneous data, (ii) we uncover a continuous, multidimensional narrative structure underlying web text, and (iii) narrative qualities are unequally distributed across pretraining sources and topics in ways that current curation practices neither measure nor account for. Our framework, dataset, and analyses provide a foundation for understanding how narrative qualities are distributed in LLM pretraining data and for studying how data composition affects narrative reasoning tasks. We publicly release NarraDolma and NarraBERT.

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10.
arXiv (quant-ph) 2026-06-11

Mathematical Basis for Analyzing Superconducting Phase Transitions Using Catastrophe Theory

作者:
Jiu Hui Wu↗Hua Tian↗Kejiang Zhou↗

arXiv:2606.11810v1 Announce Type: cross Abstract: We establish a rigorous mathematical bridge from quantum many-body path integrals to the cusp catastrophe model by Lyapunov-Schmidt reduction, which provides a theoretical foundation for analyzing superconducting phase transition using the catastrophe theory. First, it is proved that, near the critical point the infinite-dimensional effective action is diffeomorphic to a finite-dimensional catastrophe. Secondly, starting from Ginzburg-Landau free energy functional, the Euler-Lagrange partial differential equation can be reduced to the cusp catastrophe model. Thirdly, the fermionic imaginary-time path integral to the cusp catastrophe is derived through the Hubbard-Stratonovich transformation, Matsubara frequency expansion, and Grassmann algebra. Furthermore, we connect this framework with the adsorption potential theory we proposed, elucidating the catastrophic topological nature of the electron pairing mechanism in high-temperature superconductivity. The precise microscopic derivation of the adsorption potential from first-principles electronic structure calculations would strengthen the predictive power of the theory.

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11.
arXiv (CS.CL) 2026-06-12

Rethinking Psychometric Evaluation of LLMs: When and Why Self-Reports Predict Behavior

作者:
Rafal Kocielnik↗Pengrui Han↗Peiyang Song↗Myrl G. Marmarelis↗Ramit Debnath↗Dean Mobbs↗Anima Anandkumar↗R. Michael Alvarez↗

Anticipating LLM behavioral tendencies from low-cost psychometric probes is critical for safe deployment, but only if self-reports (SR) reliably predict behavior. Recent work documented substantial SR-behavior dissociation in LLMs, but relied on broad personality traits (Big 5) that predict specific behaviors weakly, even in humans. Furthermore, the isolation of conversational sessions combined with weak context matching left open whether LLMs truly lack coherence or whether the conditions needed to detect such coherence were not met. We contrast Big 5 with the Theory of Planned Behavior (TPB), which measures intention targeted to a specific behavior and predicts human behavior substantially better than broad traits. We run experiments across four behavioral tasks and 11 frontier LLMs, while also varying session context and identity induction. We find that SR-behavior coherence exists but is selective. 1) Within a shared conversation, the Theory of Planned Behavior reaches human-level coherence; Big 5 does not. 2) Across separate conversations, coherence survives only for behaviors anchored outside the immediate prompt, such as implicit bias shaped by training, and collapses when behavior is strongly primed by context, as with sycophancy. 3) Persona prompting makes self-reports more consistent across conversations, but does not bring behavior into alignment. These findings suggest that coarse personality frameworks, such as Big 5 may not be the best tools for testing deployment behavior. More task- and behavior-specific instruments are needed, and even these must be evaluated across tasks and contexts.

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12.
arXiv (CS.LG) 2026-06-19

FlexLAM: Resolving the Bottleneck Trade-off in Latent Action Learning

作者:
Takanori Yoshimoto↗Yang Hu↗Naruya Kondo↗Tatsuya Matsushima↗

arXiv:2606.19408v1 Announce Type: new Abstract: Latent actions provide a compact interface between action-free video and downstream decision-making, yet existing Latent Action Models (LAMs) force every transition through a fixed-capacity bottleneck. We identify a bottleneck trade-off: overly tight codes can discard transition cues needed for action alignment, while overly loose codes preserve additional transition variation that must be resolved when alignment labels are scarce or narrowly distributed. FlexLAM replaces this fixed capacity with variable-length latent actions trained by nested dropout, yielding prefix-valid codes that capture compact transition structure first and add detail only when needed, without new architectures or losses. A single FlexLAM matches or surpasses separately trained fixed-capacity LAMs at every evaluated token budget under standard scarce-label supervision and under a low-return single-task alignment stress test, indicating that FlexLAM is not merely adjustable at inference time but learns a better latent-action interface at the same token budgets. The same model supports inference-time token-budget adjustment without retraining, and FlexLAM improves Ego4D transition reconstruction. These results suggest that variable-length latent actions are an architecture-free, drop-in upgrade to the fixed-capacity bottleneck in latent action models, latent-action world models, and video-pretrained action interfaces.

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13.
arXiv (math.PR) 2026-06-16

A Low-Regularity Semigroup Sewing Lemma via Quotient Structures

作者:
Nannan Li↗Xing Gao↗

arXiv:2606.16164v1 Announce Type: new Abstract: We develop a low-regularity Sewing theory for the semigroup coboundary $\hat\delta=\delta-a$ associated with a strongly continuous semigroup $S$. Unlike the ordinary low-regularity Sewing problem, the semigroup setting has an intrinsic algebraic non-uniqueness below the threshold $1$, in the sense that solutions are canonical only modulo semigroup cocycles. Accordingly, the natural target is a quotient space rather than an increment space. We identify this quotient structure and construct the corresponding semigroup Sewing map. The construction uses a frozen terminal-time transform, which rewrites semigroup defects, for each terminal time, as ordinary low-regularity Sewing problems on a frozen simplex. This reduction, however, does not by itself produce a genuine semigroup increment; the main additional step is to prove that the frozen solution classes are compatible as the terminal time varies and hence assemble into a canonical quotient class for $\hat\delta$. This yields canonical classes for $0

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14.
arXiv (CS.CV) 2026-06-15

A New Multi-Domain Benchmark for Micro-Action Recognition and Detection

作者:
Yanbin Hao↗Pengyu Liu↗Xing Wei↗Xun Yang↗Dan Gu↗Meng Wang↗

Micro-actions are short-duration, low-amplitude subtle body movements at the whole-body level that can reveal latent intentions, involuntary reactions, and fine-grained affective changes. Our previous MA-52 benchmark has provided an important foundation for micro-action recognition, but it remains limited in scale, scene diversity, task coverage, and evaluation protocols. To advance micro-action analysis toward more realistic and comprehensive settings, we introduce MMA-82, a large-scale multi-domain extension of MA-52. MMA-82 expands the label space from 52 to 82 fine-grained micro-action categories and covers four distinct domains, including laboratory interviews, street interviews, psychiatric patient interviews, and emotion-rich television videos, resulting in 77,856 annotated instances from 454 subjects. Built upon MMA-82, we establish two core tasks: Micro-Action Recognition and Multi-label Micro-Action Detection. For recognition, we further define in-domain and cross-domain protocols, including few-shot and zero-shot settings, to evaluate model robustness, transferability, and generalization. Extensive experiments show that current methods still struggle with realistic micro-action understanding, especially under domain shift, long-tailed category distributions, and complex temporal localization. Beyond benchmarking, we investigate the relationship between micro-actions and emotion, showing that micro-actions are strongly associated with emotional states and provide complementary cues to facial micro-expressions for improved emotion recognition. These results demonstrate that MMA-82 serves as a comprehensive and challenging benchmark for realistic micro-action analysis and a valuable resource for human-centered AI. MMA-82 is available at https://github.com/LpyNow/MMA-82.

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15.
arXiv (quant-ph) 2026-06-12

Squeezing Enhancement in Lossy Multi-Path Atom Interferometers

作者:
Julian G\"unther↗Jan-Niclas Kirsten-Siem{\ss}↗Naceur Gaaloul↗Klemens Hammerer↗

arXiv:2409.04091v3 Announce Type: replace Abstract: This paper explores the sensitivity gains afforded by spin-squeezed states in atom interferometry, in particular using Bragg diffraction. We introduce a generalised input-output formalism that accurately describes realistic, non-unitary interferometers, including losses due to velocity selectivity and scattering into undesired momentum states. This formalism is applied to evaluate the performance of one-axis twisted spin-squeezed states in improving phase sensitivity. Our results show that by carefully optimising the parameters of the Bragg beam splitters and controlling the degree of squeezing, it is possible to improve the sensitivity of the interferometer by several dB with respect to the standard quantum limit despite realistic levels of losses in light pulse operations. However, the analysis also highlights the challenges associated with achieving these improvements in practice, most notably the impact of finite temperature on the benefits of entanglement. The results suggest ways of optimising interferometric setups to exploit quantum entanglement under realistic conditions, thereby contributing to advances in precision metrology with atom interferometers.

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16.
arXiv (CS.CL) 2026-06-15

Natively Unlearnable Large Language Models

作者:
Gaurav R. Ghosal↗Pratyush Maini↗Aditi Raghunathan↗

Unlearning aims to remove the influence of specific training data sources, but this has proved challenging because the contributions of different sources are entangled within the model. Isolating source contributions to disjoint parameters makes removal easier, though it obstructs joint learning across sources. We propose NULLs (Natively Unlearnable LLMs), a model class that satisfies the two opposing goals of isolating source-specific contributions and learning jointly across sources, by training a set of shared backbone neurons alongside a pool of sparsely activated sinks. During training, information specific to a source naturally concentrates in its sinks while information shared across sources accumulates in the backbone. A source is then unlearned at deployment by disabling its corresponding sinks, with no gradient updates and no access to the retained data. We show that NULLs scales to Wikipedia's ~6M articles, isolating each as an independent source. Unlearning a single article removes knowledge specific to it while preserving facts shared with semantically related articles, closely matching retraining from scratch. We note that unlearning with NULLs is also robust: in a case study of unlearning the Harry Potter books, NULLs resists both adversarial extraction and relearning that reverses post-hoc unlearning. Finally, NULLs preserves general language capabilities, matching a standard transformer on downstream benchmarks. Together, these results suggest that source-level unlearning need not be an afterthought. It can be built natively into LLM training while retaining the benefits of shared representation learning.

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17.
arXiv (CS.AI) 2026-06-12

Benchmarking AI Agents for Addressing Scientific Challenges Across Scales

作者:
Tianyu Liu↗Allen Xin Wang↗Antonia Panescu↗Lisa Xinyi Chen↗Wenxin Long↗Xinyu Wei↗Yueqian Jing↗Ziyao Zeng↗Jihang Chen↗Sihan Jiang↗Ziqing Wang↗Siyi Gu↗…

arXiv:2606.12736v1 Announce Type: new Abstract: AI agents are increasingly being developed to accelerate scientific discovery, yet their practical capabilities in real research settings remain poorly understood. Existing benchmarks for AI agents rarely capture the complexity, heterogeneity, and extended reasoning required by scientific work, whereas benchmarks for scientific tasks often reduce research to static, direct problems and provide limited support for interactive evaluation. Here, we introduce SciAgentArena, a systematic benchmark for evaluating AI agents in real-world scientific research scenarios drawn from emerging needs across multiple domains. SciAgentArena comprises approximately 200 tasks with stepwise verification and an interactive, agent-agnostic environment for assessing diverse AI agents. Using this benchmark, we find that current agents can contribute effectively to well-specified data-analysis workflows, particularly when the task structure and evaluation criteria are clear. However, their performance remains uneven across scientific contexts: agents struggle to generate genuinely novel insights, sustain self-directed exploration, and formulate robust solutions for open-ended research questions. We further characterize common failure modes across agents and identify opportunities for improving their reliability, autonomy, and scientific reasoning. Together, SciAgentArena provides a practical framework for measuring progress in AI agents for science and for guiding the design of future agents capable of addressing complex scientific challenges. Full codes, tasks, and datasets can be accessed via this link: https://sciagentarena.github.io/.

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18.
arXiv (quant-ph) 2026-06-15

Correction scheme for molecular total energies from quantum phase estimation under limited qubit resources

作者:
Nobuki Inoue↗Hisao Nakamura↗

arXiv:2603.02715v2 Announce Type: replace Abstract: We propose a practical method for accurately evaluating molecular total energies using a hybrid approach that integrates fault-tolerant quantum computers with classical computing. Our scheme consists of two complementary components: quantum dominant orbital selection (QDOS) and subspace dynamical correlation (SDC). QDOS extracts only the essential active orbitals from the complete active space (CAS) configuration interaction (CI) state on a quantum computer, yielding a compact active space suitable for classical CASCI calculations. SDC then evaluates dynamical-correlation corrections for the CASCI energy using this compact state, which remains tractable on classical machines. To demonstrate that the CAS energy obtained on a quantum computer can be post-corrected by SDC, we examine two frameworks: multireference perturbation theory and tailored coupled-cluster theory. Our scheme enables effective treatment of relatively large molecular systems by combining limited quantum and classical resources.

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19.
bioRxiv (Bioinfo) 2026-06-11

GeroQubit: a lightweight, honesty-first de-novo design platform for geroscience-native small molecules with calibrated uncertainty

作者:
Swetha↗

Computational molecule generation has outpaced its own credibility. We present GeroQubit, a GPU-free de-novo design platform that organizes candidates along a target x tissue x hallmark model and reports every signal alongside its measured baseline. We treat our tissue aging-signature readout as a mechanistic structural prior that we explicitly disclose is not validated against lifespan, and we surface efficacy only through a structure-to-lifespan k-NN whose weak but real signal (leave-one-out rho ~ 0.145) is wrapped in empirically-calibrated conformal intervals (90% target, 90.3% measured coverage). On a held-out retrospective recovery of ~1,940 ChEMBL binders against decoys, the score reaches ROC-AUC 0.945 with ~20x enrichment at 1% (BEDROC 0.91) and survives a scaffold-disjoint split - yet we report that it collapses to near-random (AUC 0.62) on genuinely novel chemotypes. Molecules are assembled reaction-first, so every candidate carries a verified synthetic route and atom-level synthon provenance; ADMET is handled as a multi-objective Pareto problem. We frame the disclosed weak signals and the hard-case failures not as flaws but as the honest, decision-useful output the field's own critics demand.

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20.
arXiv (CS.AI) 2026-06-16

ToolMenuBench: Benchmarking Tool-Menu Filtering Strategies for Reliable and Efficient LLM Agents

作者:
Rahul Suresh Babu↗Laxmipriya Ganesh Iyer↗

arXiv:2606.15508v1 Announce Type: new Abstract: Tool-augmented large language model agents increasingly operate over large tool libraries, but existing evaluations often focus on whether a model can call a tool correctly rather than how the visible tool menu shapes reliability, efficiency, and safety-relevant risk exposure. We introduce ToolMenuBench, a benchmark for evaluating tool-menu construction in multi-step LLM agents. ToolMenuBench varies tool-menu size, distractor type, state-dependent task structure, and risk exposure, and reports both filter-level and downstream agent metrics, including visible-tool count, risky-tool exposure, task success, wrong-tool calls, premature actions, and token usage. In a controlled evaluation across seven model backends, three tool-menu sizes, six filtering methods, and seven evaluation settings, CMTF improves task success from 32.1% under all-tools exposure to 85.7%, while reducing average token usage by roughly 98%. Causal minimal tool filtering achieves the strongest overall tradeoff, reducing visible tools, wrong-tool calls, premature actions, and risky-tool exposure relative to unfiltered exposure, lexical filtering, state-aware filtering, and broader causal-path baselines. ToolMenuBench provides a reusable evaluation framework for studying the agent-interface problem: which tools should be visible, when they should be visible, and under what cost or risk constraints.

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21.
arXiv (CS.AI) 2026-06-19

Dual-Agent Framework for Cross-Model Verified Translation of Natural-Language Protocols into Robotic Laboratory Platform

作者:
Hyeonna Choi↗Jung Yup Kim↗Hyuneui Lim↗Seunggyu Jeon↗

arXiv:2606.20120v1 Announce Type: cross Abstract: Biological experiment protocols are written in natural language, whereas automation systems rely on predefined control commands, creating a semantic gap that limits autonomous execution. Microplate-based automatic experiments are particularly challenging due to the need to simultaneously control well mapping, sample-reagent combinations, replicate placement, and parallel dispensing. This study proposes an agent-based protocol translation framework that converts natural-language microplate-based protocols into executable control commands for a robotic laboratory platform. A Parser Agent formalizes the natural-language protocol into a structured representation, and a rule-based mapping engine deterministically incorporates the operational constraints of the robotic laboratory platform to generate device-level control commands. A heterogeneous LLM Validation Agent verifies completeness, parameter accuracy, and execution order, and triggers a self-correction loop with structured feedback when errors are detected. A sweep involving 7 Parsers and 3 Validators on randomly selected ELISA protocols evaluates how model scale and Validator type affect translation accuracy and pass rates under cross-model verification. The accuracy-latency trade-off is further verified by comparing the rule-based mapping of the proposed framework with LLM end-to-end direct mapping. Finally, Bradford assay-based protein quantification using a microplate was demonstrated on a robotic laboratory platform, validating end-to-end autonomous execution from natural-language protocols to real-world experiments. The proposed framework provides a flexible approach to narrowing the semantic gap between natural-language protocols and microplate-based self-driving laboratories.

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22.
medRxiv (Medicine) 2026-06-22

Understanding and Usefulness of Effect Size and Certainty of Evidence: A Cross-sectional Survey of Evidence-Based Practice Competencies Among Registered Dietitians

作者:
Ghosh↗N. R↗Neale↗E. P↗Hand↗R. K↗Ball↗G. D. C↗Riddle↗Klatt↗K. C↗Riviere↗…

Introduction: Understanding of absolute and relative estimates (i.e., effect size), and certainty of evidence corresponding to those estimates, is a fundamental evidence-based practice competency to promote informed clinical decision-making. While research has been conducted in the medical profession, there is no published research on these competencies in the nutrition and dietetics profession. Methods: Among registered dietitians, our main objectives were to assess (1) their understanding and perceived usefulness of three absolute and two relative estimate approaches to assess effect size, (2) their perceived usefulness of certainty of evidence, and (3) factors influencing their understanding and perceived usefulness. We conducted a web-based, cross-sectional survey among dietitians recruited from the Academy of Nutrition and Dietetics (United States). Participants received effect estimates based on hypothetical dietary interventions vs. usual diet for reducing myocardial infarction risk. Results: Of the 11,050 dietitians who received the survey link, 210 participated (2.0% response rate), and only completers (n=114) were included in the analysis. Participants demonstrated a similar understanding of the relative (27.6%) and absolute (27.5%) estimates, with Risk Difference (30.7% correct responses) being the best understood approach and Number Needed to Treat (24.6%) being the least. The understanding of five approaches was not different than random guessing (p>0.05). While perceived usefulness scores were similar between five approaches, they were highest when data was presented as Relative Risk [mean (SD): 4.82 (1.50)]. Dietitians rated the usefulness of certainty of evidence favorably [mean (SD): 5.07 (1.83), on a 7-point scale), and no factors were associated with correct understanding. Conclusion: Dietitians may have limited understanding of how to interpret effect sizes, a finding consistent with surveys of other health professionals. To optimize informed decision-making between dietitians and clients, dietetic programs and continuing education platforms should consider additional training on interpreting effect sizes and certainty of evidence for effect sizes.

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23.
arXiv (CS.CV) 2026-06-11

Information-Theoretic Decomposition for Multimodal Interaction Learning

作者:
Zequn Yang↗Yake Wei↗Haotian Ni↗Zhihao Xu↗Di Hu↗

Multimodal learning hinges on capturing redundant, unique, and synergistic information across modalities, which collectively constitute multimodal interactions. A critical yet underexplored challenge is that these implicit interactions vary dynamically across samples. In this work, we present the first systematic, information-theoretic analysis highlighting why learning these dynamic, sample-specific interactions is critical for effective multimodal learning. Our analysis further reveals deficits in conventional paradigms at learning these distinct interaction types: modality ensemble approaches struggle to capture synergy, while joint learning paradigms often under-utilize redundant information. This highlights the need for an approach that can adaptively learn from different interaction types on a per-sample basis. To this end, we propose Decomposition-based Multimodal Interaction Learning (DMIL), a novel paradigm that explicitly models and learns from sample-specific interactions. First, we design a variational decomposition architecture to isolate the constituent interaction components. Second, we employ a new learning strategy that leverages these explicit interaction components in a fine-tuning process to achieve comprehensive interaction learning. Extensive experiments across diverse tasks and architectures demonstrate that DMIL consistently achieves superior performance by adapting to holistic sample-specific interactions. Our framework is flexible and broadly applicable, establishing an interaction-centric paradigm for multimodal learning. The code is available at https://github.com/GeWu-Lab/DMIL.

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24.
bioRxiv (Bioinfo) 2026-06-18

Identification of environmental factors and growth stages in the prediction of fibre yield and fibre quality traits in rain-grown cotton

作者:
Feng↗Rafter↗Wilson↗Li↗Conaty↗

Context Understanding how and when environmental conditions influence overall crop performance is crucial for optimising the development of genotypes to a specific breeding target environment. We focused on economically important traits of Australian rain-grown cotton including fibre yield and quality traits, which have not been investigated comprehensively. The aim of the study was to identify relevant environmental factors, and the timing and extent of their impact on rain-grown cotton production. Methods We used a data driven approach to analyse the relationship between ten climate related environmental factors across various plant growth stages and eight fibre yield and quality traits, using a large-scale field dataset of 9,283 records collected over 23 years at 4 locations, with 53 unique year-location combinations. We applied eight complementary statistical models including stepwise, penalised and Bayesian linear regression, regression-tree based ensemble methods and deep learning frameworks to (1) select the most essential environmental covariates affecting rain-grown cotton production, and (2) evaluate the predictive performance of these models. Results The environmental impacts on rain-grown cotton production were trait and growth-stage specific. Number of rainy days and solar radiation were identified as the most influential environmental factors for fibre yield traits, vapour pressure deficit at maximum daily temperature was the most influential factor for majority of fibre quality traits. However, each analysed trait was influenced by multiple environmental factors across multiple growth stages (rather than a single factor or a single growth stage). These influential covariates explained a wide range of variation in the traits, accounting for 5.8% to 68.2%. Using the best-fit random forest model, our findings revealed non-linear relationships between key environmental covariates and the traits. Conclusions Environmental factors at different rain-grown cotton growth stages are key determinants for the performance of end-of-season fibre yield and fibre quality parameters. These findings highlight the need to account for environment conditions when developing cotton varieties optimised for rain-grown production systems. Potential strategies are proposed whereby these key environmental factors can be used to increase the rate of genetic gain in rain-grown cotton production systems. Implications The results of this study will be crucial for future genetic evaluations and analyses of genotype-by-environment interaction effects in rain-grown cotton, which must account for the influence of the environment on plant performance. Furthermore, these methods can be applied to other species to identify critical growth stages and environmental factors which most influence crop performance.

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25.
arXiv (CS.CV) 2026-06-19

Spectral Query-Key Product Weight Steering for Training-Free VLM Hallucination Mitigation

作者:
Karn Tiwari↗Varnith Chordia↗Prathosh A P↗

Vision-language models (VLMs) often generate fluent but visually unsupported descriptions, especially by mentioning objects absent from the image. We propose QK Product Steering, a data-free, training-free, and zero-inference-cost weight edit for reducing object hallucination. The method directly edits the per-head query-key product, the operator that produces pre-softmax attention logits, by suppressing a small number of dominant singular modes in selected middle layers. The edited product is then mapped back to the query weights through a closed-form query-only update while keeping shared key weights fixed, making the edit compatible with grouped-query attention. We further decompose the QK product into symmetric and antisymmetric components to distinguish mutual content-similarity patterns from directional attention patterns. Across three GQA-based VLMs, QK Product Steering achieves an average relative CHAIR$_s$ reduction of $4.0\%$, while matched random-mode controls show negligible change. Interpretability ablations show that the hallucination signal is specific to dominant QK modes and is primarily localized to the symmetric mutual-attention channel. Overall, QK Product Steering offers a simple alternative to decoding-time mitigation, requiring no additional data, fine-tuning, or inference-time overhead while largely preserving general multimodal capability.

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