探索全球前沿学术脉络

01.

Nature (Science) 2026-06-23 DOI: HASH:f31d63abe488066d6891f7776131824c

Europe must seize the moment to lead on free and open science

作者: 未知作者

An under-appreciated research powerhouse, Europe has a responsibility to champion democratic science that is accessible to all the world’s research talent. An under-appreciated research powerhouse, Europe has a responsibility to champion democratic science that is accessible to all the world’s research talent.

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02.

arXiv (CS.LG) 2026-06-15 DOI: arXiv:2510.00375

Multidimensional Bayesian Active Machine Learning of Working Memory Task Performance

作者:

Dom CP Marticorena↗Chris Wissmann↗Zeyu Lu↗Dennis L Barbour↗

arXiv:2510.00375v2 Announce Type: replace Abstract: While adaptive experimental design has outgrown one-dimensional, staircase-based adaptations, most cognitive experiments still control a single factor and summarize performance with a scalar. We show a validation of a Bayesian, two-axis, active-classification approach, carried out in an immersive virtual testing environment for a 5-by-5 working-memory reconstruction task. Two variables are controlled: spatial load L (number of occupied tiles) and feature-binding load K (number of distinct colors) of items. Stimulus acquisition is guided by posterior uncertainty of a nonparametric Gaussian Process (GP) probabilistic classifier, which outputs a surface over (L, K) rather than a single threshold or max span value. In a young adult population, we compare GP-driven Adaptive Mode (AM) with a traditional adaptive staircase Classic Mode (CM), which varies L only at K = 3. Parity between the methods is achieved for this cohort, with an intraclass coefficient of 0.755 at K = 3. Additionally, AM reveals individual differences in interactions between spatial load and feature binding. AM estimates converge more quickly than other sampling strategies, demonstrating that only about 30 samples are required for accurate fitting of the full model.

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03.

arXiv (quant-ph) 2026-06-16 DOI: arXiv:2606.16425

Worst-case depth hierarchy for shallow quantum circuits

作者:

Min-Hsiu Hsieh↗Michael de Oliveira↗Sathyawageeswar Subramanian↗Xingjian Zhang↗

arXiv:2606.16425v1 Announce Type: new Abstract: Circuit depth is a central resource in complexity theory. While bounded-depth classical circuits admit well-understood hierarchy theorems, the internal structure of constant-depth quantum computation remains comparatively unexplored. We prove an explicit depth hierarchy theorem for $\mathsf{QNC}^0$. For each $d\ge 12$, we construct a family of two-round interactive problems on which no depth-$(d-1)$ quantum circuit can achieve near-perfect success, regardless of gate set, circuit size, or ancillary qubits. In contrast, we prove that our construction admits realizations by simple bounded fan-in quantum circuits of depth larger than $d$ by a small constant factor. Moreover, all bounded fan-in classical circuits of sublogarithmic depth (in the input size) fail to achieve perfect success on these tasks for every $d$, yielding a hierarchy of problems that show unconditional quantum advantage of $\mathsf{QNC}^0$ over $\mathsf{NC}^0$. A key obstacle is the scarcity of lower bound techniques for quantum circuits. To address this, we develop methods to analyze how depth affects a circuit's ability to realize nonlocal correlations amongst its output qubits in a fine-grained manner. Our approach exploits the correspondence between constraint systems and nonlocal games, translating group-theoretic constructions into rigid operator-valued constraint systems and then into non-local games. In particular, we construct constraint systems whose unique faithful operator-valued solutions require every perfect strategy, and every near-perfect strategy to a fixed precision, to implement multi-controlled phase operations. This reduces to a nonlocal unitary-synthesis problem, yielding depth lower bounds for both shallow quantum and classical circuits. These results show that increasing depth strictly increases computational power within $\mathsf{QNC}^0$, establishing a genuinely quantum hierarchy.

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04.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2606.17577

Surrogate Assisted Pedestrian Protection Design via a Foundation Model Orchestrated Workflow

作者:

Osamu Ito↗Akihiko Katagiri↗Yoshikazu Nakagawa↗Shin Saeki↗Jun Shiraishi↗Masato Sasaki↗

arXiv:2606.17577v1 Announce Type: new Abstract: AI-driven engineering workflows face particular challenges in crash safety design: unlike aerodynamics, crash events involve highly nonlinear contact dynamics, material nonlinearity, and discrete state transitions that are difficult to capture with data-driven surrogate models. To the best of our knowledge, we present the first foundation model–orchestrated workflow for crash safety design that enables surrogate-assisted exploration for pedestrian protection, reducing evaluation time from hours per CAE simulation to seconds. The workflow integrates four components: (1) a surrogate trained on CAE crash simulations to predict pedestrian leg injury metrics from design parameters, achieving an average $R^2=0.87$ and providing distribution-free conformal prediction intervals; (2) multiobjective evolutionary search (NSGA-II) to discover diverse feasible parameter sets under user-specified constraints; (3) a morphing-based geometry generator that maps parameters to topology-preserving 3D shapes; and (4) a natural-language interface in which an LLM orchestrates the workflow and a vision–language model supports semantic comparison of generated designs. In an automotive front-bumper case study, the workflow produces 35 distinct safety-compliant alternatives from a single exploration, a process that would require weeks with conventional CAE iteration. These results suggest that foundation models can serve as integration layers between ML surrogates and physics-based simulation, helping bring AI capabilities to safety-critical engineering domains.

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05.

arXiv (CS.CV) 2026-06-17 DOI: arXiv:2606.17644

Bounding Box Label Propagation for Re-Annotation of Document Layout Analysis Datasets

作者:

Nick Jochum↗Tobias Alt-Veit↗Christian Sch\"on↗Alexander L\"uck↗Ren\'e Schuster↗Didier Stricker↗

Datasets in practical document processing scenarios typically grow over time, and their class annotations undergo continuous refinement. This creates significant re-annotation efforts, which are time-consuming and costly. A promising remedy is to re-annotate only a small subset of available documents manually and apply semi-supervised learning techniques that leverage both labelled and unlabelled data. Although there are numerous approaches to tackle this problem for classification, there exists no adaptation for the problem of re-classifying object detection instances, e.g. for document layout analysis. To this end, we propose Bounding Box Label Propagation (BBLP), a pseudo-labelling framework for object detection. An object encoder integrates visual, textual, and positional embeddings from object detection samples to come up with a joint embedding that can be used for Label Propagation on partially annotated datasets in a plug-and-play fashion. Evaluation results indicate that the proposed approach produces high-quality class annotations of bounding boxes. In the D4LA layout analysis dataset, it achieves a mAP of 54.0%, corresponding to 81.6% of fully supervised performance, while using only 10% labelled data. Our work demonstrates the potential of Label Propagation for object detection and lays the groundwork for reducing manual annotation efforts in real-world document processing applications.

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06.

arXiv (CS.CL) 2026-06-15 DOI: arXiv:2606.14348

Detecting Historical Turning Points in Italian Media: A Complex Systems Approach to a Diachronic News Corpus

作者:

Dario Zarcone↗Salvatore Miccich\`e↗David Sanchez↗

The increasing availability of large-scale textual corpora has opened new possibilities for data-driven, quantitative approaches to historical analysis using Natural Language Processing (NLP). However, diachronic corpora with historical relevance from the pre-digital era remain scarce and often incomplete. We present a quantitative approach to historical analysis based on the reconstruction and exploration of a diachronic corpus of around 600,000 articles from the Italian newspaper "La Repubblica", covering all the articles published from the 1st of January 1985 to the 31st of December 2000 - a period of major political, social, and geopolitical change in Italy and globally. Using NLP techniques, we analyze the text at both lexical and semantic levels; we then apply tools from complex systems and statistical physics to trace shifts in media discourse over time. This allows us to detect key transition periods, such as the transition from the First Republic to the Second Republic in Italy, or major international conflicts like the Gulf War or the Kosovo War, without relying on prior labeling. The results show how combining computational linguistics with ideas from complex systems can offer new quantitative insight into historical changes, opening up new paths for studying the dynamics of media and society through large-scale textual data.

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07.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2606.17312

Quantifying Consistency in LLM Logical Reasoning via Structural Uncertainty

作者:

Baishali Chaudhury↗Mengdie Flora Wang↗Hyunji Hayley Park↗Rahul Ghosh↗Sungmin Hong↗Jae Oh Woo↗

arXiv:2606.17312v1 Announce Type: new Abstract: Large language models can arrive at the same answer through reasoning paths that are unstable, contradictory, or difficult to rank consistently – a failure mode especially prevalent in multi-step deductive reasoning. Existing methods assess reliability primarily through output dispersion – measuring how much sampled answers differ – but this discards a complementary signal: whether the model can consistently rank competing reasoning candidates. We propose structural uncertainty, a consistency-aware framework derived from the stability of self-preference-induced rankings over sampled reasoning solutions. Given a query, we generate multiple candidate solutions and ask the model to judge pairwise preferences among its own outputs. We aggregate self-preferences into ranking distributions via Bradley-Terry modeling with PageRank, and decompose the signal into two entropy-based components: across-trial ranking instability and within-trial candidate ambiguity. Across five LLMs and eight benchmarks, structural signals provide information complementary to answer dispersion: on logical and mathematical reasoning tasks, the combination improves identification of unreliable instances, while on factual retrieval the structural signal collapses toward uniformity, diagnosing a regime boundary where reasoning-level consistency evaluation is uninformative. The two components relate differently to accuracy: within-trial ambiguity correlates positively with correctness – consistent with settings where multiple plausible solution paths remain competitive – while across-trial instability correlates negatively, signaling unreliable reasoning. Structural uncertainty is best understood not as a universal confidence estimator, but as a regime-sensitive evaluator of logical reasoning consistency.

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08.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.18258

Examining Human-Like Behaviors in LLMs: A Multi-Dimensional Analysis of Model Behaviors, User Factors, and System Prompts

作者:

Sunnie S. Y. Kim↗Margit Bowler↗Leon A Gatys↗

arXiv:2606.18258v1 Announce Type: cross Abstract: Large language models (LLMs) exhibit a wide range of human-like behaviors, from expressing thoughts and emotions, to engaging in relationship-building with users, to refusing requests and maintaining boundaries. Despite their prevalence, researchers and practitioners lack methods and empirical insights to make informed decisions about when and what types of human-like behaviors LLMs should exhibit. To fill this gap, we present a multi-dimensional analysis of the prevalence, potential effects, and controllability of these behaviors using LLM-as-a-judge and human evaluation. Across 21,000 multi-turn conversations from four widely used models (gpt-4o, gpt-4.1-mini, claude-sonnet-4.6, gemini-2.5-flash), we find that human-like behaviors are pervasive but vary across models and user factors (conversation goals and user profiles). In terms of perceived appropriateness, human evaluators judged self-referential and relationship-building behaviors as less appropriate from LLMs than from humans, but boundary-maintaining behaviors more appropriate from LLMs than from humans. Finally, we show that system prompting can control these behaviors, though it requires careful evaluation to avoid unintended effects. We discuss the implications of our findings and provide recommendations for responsible LLM design and evaluation.

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09.

arXiv (math.PR) 2026-06-19 DOI: arXiv:2406.11783

The systole of random hyperbolic 3-manifolds

作者:

Anna Roig-Sanchis↗

arXiv:2406.11783v2 Announce Type: replace-cross Abstract: We study the systole of a model of random hyperbolic 3-manifolds introduced by Petri and Raimbault, answering a question posed in that same article. These are compact manifolds with boundary constructed by randomly gluing truncated tetrahedra along their faces. We prove that the limit, as the volume tends to infinity, of the expected value of their systole exists and we give a closed formula of it. Moreover, we compute a numerical approximation of this value.

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10.

arXiv (CS.CV) 2026-06-11 DOI: arXiv:2510.22335

Moving Beyond Diffusion: Hierarchy-to-Hierarchy Autoregression for fMRI-to-Image Reconstruction

作者:

Xu Zhang↗Ruijie Quan↗Wenguan Wang↗Yi Yang↗

Reconstructing visual stimuli from fMRI signals is a central challenge bridging machine learning and neuroscience. Recent diffusion-based methods typically map fMRI activity to a single neural embedding, using it as static guidance throughout the entire generation process. However, this fixed guidance collapses hierarchical neural information and is misaligned with the stage-dependent demands of image reconstruction. In response, we propose MindHier, a coarse-to-fine fMRI-to-image reconstruction framework built on scale-wise autoregressive modeling. MindHier introduces three components: a Hierarchical fMRI Encoder to extract multi-level neural embeddings, a Hierarchy-to-Hierarchy Alignment scheme to enforce layer-wise correspondence with CLIP features, and a Scale-Aware Coarse-to-Fine Neural Guidance strategy to inject these embeddings into autoregression at matching scales. These designs make MindHier an efficient and cognitively aligned alternative to diffusion-based methods by enabling a hierarchical reconstruction process that synthesizes global semantics before refining local details, akin to human visual perception. Extensive experiments on the NSD dataset show that MindHier achieves superior semantic fidelity, 4.67$\times$ faster inference, and more deterministic results than the diffusion-based baselines.

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11.

arXiv (CS.CL) 2026-06-24 DOI: arXiv:2606.23724

EvidenceLens: A Claim-Evidence Matrix for Auditing Financial Question Answering

作者:

Fengchen Gu↗Xiaotian Ren↗Zhengyong Jiang↗Zhilu Zhang↗\'Angel F. Garc\'ia-Fern\'andez↗Angelos Stefanidis↗Mian Zhou↗Huakang Li↗Jionglong Su↗

Large language models are increasingly used to answer questions over annual reports, earnings decks, and analyst notes, yet their outputs remain difficult to verify in high-stakes financial workflows. A fluent answer can blend directly grounded statements, weak synthesis, and unsupported claims across narrative text, tables, and charts. We present EvidenceLens, a visual analytics prototype that treats financial question answering as a claim-evidence alignment problem. The system decomposes an answer into atomic claims, summarizes support composition and confidence, support gaps, and coordinates claim-level inspection with source passages, table cells, and chart regions. Its core visual representation is a multimodal claim-evidence matrix that makes coverage, contradiction, and modality imbalance immediately visible. To support reproducibility, we also specify a JSON-based artifact schema, a lightweight multimodal alignment pipeline, and a deterministic review-priority ranking that maps backend signals into an auditable visual structure. Through representative report-auditing scenarios, we show how EvidenceLens helps analysts distinguish grounded claims from overconfident synthesis that conventional chat interfaces flatten.

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12.

arXiv (math.PR) 2026-06-15 DOI: arXiv:2603.29047

Longest weakly increasing subsequences of discrete random walks on the integers with heavy tailed distribution of increments

作者:

Jos\'e Ricardo G. Mendon\c{c}a↗Marcelo V. Freire↗

arXiv:2603.29047v2 Announce Type: replace-cross Abstract: We investigate the behavior of the length of the longest weakly increasing subsequences (weak LIS) of $n$-step random walks with nonzero integer increments $k = \pm 1, \pm 2, \dots$ given by a symmetric heavy tailed mass distribution proportional to $|k|^{-1-\alpha}$ for several values of the real parameter $\alpha > 0$ together with that of the simple random walk ($k=\pm 1$), to which the $n$-step heavy tailed walks reduce when $\alpha$ grows large enough that step jumps beyond $\pm 1$ become essentially absent on the scale of $n$. By means of exploratory fits, weighted nonlinear least squares, and nested-model comparisons, we found that the sample average length $\langle{L_{n}}\rangle$ scales like $\langle{L_{n}}\rangle \sim \sqrt{n}\log{n}$ when the distribution of increments has finite variance ($\alpha > 2$) and $\langle{L_{n}}\rangle \sim n^{\theta}$ with a varying exponent $\theta > 0.5$ when the variance is infinite ($\alpha \leq 2$). Distributional diagnostics indicate that the bulk of the $L_{n}$ distribution is very well-approximated by a lognormal model, though systematic deviations are observed in the tails. Our results corroborate and expand upon previous results for the LIS of other types of heavy-tailed random walks and raise a conjecture as to whether the distribution of $L_{n}$ is given, or can be effectively described, by a lognormal distribution.

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13.

arXiv (CS.CV) 2026-06-18 DOI: arXiv:2204.14224

Investigation of Neural Network Methods for Reconstruction and Classification of Texture Images Under Conditions of Incomplete Information

作者:

Galymzhan Abdimanap↗Kairat Bostanbekov↗Abdelrahman Abdallah↗Anel Alimova↗Darkhan Kurmangaliyev↗Daniyar Nurseitov↗Tatyana Dedova↗Larissa Balakay↗Serik Nurakynov↗

The automated analysis of heterogeneous natural textures is frequently hindered by physical damage and data loss, presenting a significant challenge to computer vision. While deep learning has shown success in controlled environments, its application to complex geological materials under conditions of incomplete information remains underexplored. This study presents an integrated framework for the inpainting and classification of high-resolution core sample images. We propose an end-to-end pipeline that utilizes object detection for sample segmentation, followed by image inpainting using Generative Adversarial Networks (GANs) with Contextual Residual Aggregation (CRA) to reconstruct missing high-frequency details. Subsequently, we evaluate the performance of modern Transformer-based (Swin, ViT) and CNN architectures on the reconstructed data. Our experiments revealed a critical divergence between reconstruction quality and downstream utility: despite high structural fidelity (PSNR 28.7~dB, FID 74.01), classification accuracy plateaued at 53\%. To improve minority-class detection, we propose a confidence-based hybrid ensemble that raises MCA from 48\% to 58\%. These results highlight the limitations of current state-of-the-art generative models, which may produce visually plausible but semantically ambiguous features ("hallucinations") that confound classifiers. This work provides insights into the dependencies between image reconstruction quality and classification performance, offering a reproducible baseline for future research in non-destructive testing and material science. Given that cross-well accuracy remains in the 49–53\% range, we position the resulting system as a decision-support and screening tool for lithofacies interpretation rather than as a fully autonomous classifier. The code is available at https://github.com/GalymzhanAbdimanap/Lithology_recognition

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14.

arXiv (CS.CV) 2026-06-16 DOI: arXiv:2606.14783

The Vision Encoder as a Privacy Boundary: Visual-Token Side Channels in Encoder-Free Vision-Language Models

作者:

Chenyu Zhou↗Qiliang Jiang↗Shuning Wu↗Xu Zhou↗

A vision encoder compresses image pixels into semantic embeddings, implicitly acting as a privacy boundary by preserving semantic content while attenuating pixel-local detail required for exact text recovery. Encoder-free vision-language models (VLMs) remove this boundary by routing image patches directly into the language-model token stream, thereby exposing an architectural privacy attack surface: intermediate visual tokens become a pre-output side channel. Under a token-access adversary, decoders invert visual-token streams from two encoder-free VLMs, Gemma4 and Fuyu, recovering recognizable image structure and readable held-out access codes, whereas matched encoder-based controls localize target regions but recover no exact strings. Within-model ablations show that the operative factor is spatial sampling fidelity of the visual-token grid, especially character-direction sampling density, rather than token or value count. The leakage is not limited to exported tokens: Gemma4 layer-0 key-value cache tensors are directly invertible, placing the side channel within KV caches commonly persisted by production serving stacks for decoding efficiency. The attack survives clutter, realistic document degradation, and zero-shot transfer to public document images, and it resists value-level defenses such as additive noise and quantization. Effective mitigation must therefore reduce spatial sampling, making removal of the vision encoder a first-class privacy decision in VLM deployment.

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15.

arXiv (CS.CV) 2026-06-16 DOI: arXiv:2606.14828

Leptomeningeal Collateral Detection on DSA via Vessel-Graph Neural Networks

作者:

Junyong Cao↗Hakim Baazaoui↗Chinmay Prabhakar↗Suprosanna Shit↗Lukas Bastian Otto↗Susanne Wegener↗Bjoern Menze↗Ezequiel de la Rosa↗

Leptomeningeal collaterals (LMCs) are an important prognostic factor in acute ischemic stroke. Existing automated methods rely on CT angiography (CTA), but individual LMCs are often too small to be resolved on CTA, limiting these methods to coarse collateral scoring. Digital subtraction angiography (DSA) visualizes individual collaterals at superior resolution, yet current assessment remains subjective, relying on manual grading scales that suffer from poor inter-rater agreement. We present a framework that formulates collateral detection as the classification of individual vessel segments on a graph derived from DSA. A hybrid graph-pixel architecture combines a topology-aware graph branch with a dense pixel branch, fused in a shared node-probability space. In a five-fold cross-validation setting, the fused model achieves a PR-AUC of 0.434, outperforming the graph-only (0.403) and pixel-only (0.362) baselines. To our knowledge, this is the first method to enable the individualization of LMCs in DSA, allowing for precise per-vessel quantitative assessment. This integration shifts DSA assessment toward objective evaluation, supporting future biomarker and pattern discovery for individual LMCs.

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16.

arXiv (math.PR) 2026-06-17 DOI: arXiv:2606.17381

Large deviation principle for friendship-biases in Galton–Watson trees

作者:

Frank den Hollander↗Azadeh Parvaneh↗

arXiv:2606.17381v1 Announce Type: new Abstract: In this paper we consider the friendship-bias of the vertices in an infinite rooted Galton–Watson tree. The friendship-bias of a vertex is the difference between the average degree of the neighbours of the vertex and the degree of the vertex itself. A vertex is said to be of type $\chi \in S$, with $S = \{-,0,+\}$, when its friendship-bias is, respectively, strictly negative, zero or strictly positive. We consider the fractions $f_l^\chi$ of vertices of type $\chi \in S$ along a random downward path up to branching depth $l \in \mathbb{N}$ and derive a large deviation principle (LDP) for the triple $(f_l^\chi)_{\chi \in S}$ as $l\to\infty$. The branching depth of a vertex counts the number of branchings that occur along the path that connects the vertex to the root of the tree. The rate in the LDP is $l$, while the rate function in the LDP is identified in terms of a variational formula minimising a relative entropy under a linear constraint. We focus on the case of binary branching, for which the rate function is already quite involved. We identify the qualitative properties of the rate function and show how it can be computed numerically. We briefly indicate how to proceed for more general branching and for vertex types along a tree consisting of a finite number of random downward paths. Our paper is the first to consider large deviations of vertex types.

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17.

bioRxiv (Bioinfo) 2026-06-11 DOI: HASH:64b97f7ec539a0badbb55a8f77c9ff95

Machine Learning-Guided Discovery of Bacterial-Selective Membrane-Active Compounds Reveals Mechanistic Bias in Antibiotic Training Datasets

作者:

Chain↗Ghaffari↗Belakaria↗Sheehan↗J. P↗Irani↗Wu↗C.-Y↗Kim↗Engelhardt↗B. E↗Gitai↗…

The rise of antibiotic resistance necessitates the discovery of antibacterial compounds with novel mechanisms of action (MoAs). Recent machine learning approaches have shown promise in antibacterial compound discovery, but often identify derivatives of known antibiotic classes rather than mechanistically novel compounds. Previous approaches applied Tanimoto similarity filters at the end of screening pipelines, but this method has substantial drawbacks: Tanimoto similarity can be misleading in chemical space, and post-hoc filtering does not influence what activity models learn to prioritize. Here, we present a machine learning pipeline that addresses chemical novelty upfront by employing an XGBoost-based MoA classifier to explicitly prioritize compounds predicted to have mechanisms distinct from known antibiotic classes, combined with graph neural networks for antibacterial activity and toxicity prediction. Applied to the Zinc20 database, our approach successfully identified non-toxic antibacterial compounds structurally distinct from known antibiotics. Notably, the majority of these hits exhibited membrane-targeting activity with selectivity for bacterial cells over mammalian cells, suggesting potential for next-generation membrane-active antibiotics. However, we did not identify compounds with novel protein targets. Systematic analysis revealed that this limitation stems from mechanistic bias in training data rather than model architecture. Specifically, our activity model learned to preferentially score compounds similar to specific groups in the training data, thus overrepresenting certain MoA classes including membrane-active compounds. Even substantial model architecture and training data enhancements did not overcome this constraint. Our findings demonstrate that the primary bottleneck for discovering mechanistically novel antibiotics is the scarcity of diverse, mechanistically-annotated training data. This work provides both a methodological framework for mechanism-aware screening and critical insights into data requirements for genuinely novel antibiotic discovery.

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18.

arXiv (CS.LG) 2026-06-19 DOI: arXiv:2508.05762

Evaluating Universal Machine Learning Force Fields Against Experimental Measurements

作者:

Sajid Mannan↗Vaibhav Bihani↗Carmelo Gonzales↗Kin Long Kelvin Lee↗Nitya Nand Gosvami↗Sayan Ranu↗Santiago Miret↗N M Anoop Krishnan↗

arXiv:2508.05762v2 Announce Type: replace-cross Abstract: Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table. However, their evaluation has been limited to computational benchmarks that may not reflect real-world performance. We introduce UniFFBench, a comprehensive evaluation framework featuring the MinX dataset – a diverse collection of 1,500+ mineral systems spanning 85 elements, extreme thermodynamic conditions (0–5000 K, 0–1000 GPa), and structural complexity, including partial occupancy and disorder. This diversity, combined with experimental reference values for validation, enables assessment of UMLFF generalization across chemical space and conditions substantially beyond typical training scenarios. Our systematic evaluation of six state-of-the-art UMLFFs reveals a substantial ``reality gap'': models achieving impressive performance on computational benchmarks often fail when confronted with experimental complexity. Even the best-performing models exhibit higher density prediction error than the threshold required for practical applications. We observe disconnects between simulation stability and mechanical property accuracy, with prediction errors correlating with training data representation rather than the modeling method.

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19.

bioRxiv (Bioinfo) 2026-06-10 DOI: HASH:dc33b40205232ae5b6b41a5af9936e6e

A Unified Spatial AI Framework for Cross-Domain Tissue-State Analysis in Trauma, Oral, and Cardiovascular Pathology

作者:

Pham↗T. D↗

Objective: To develop a cross-domain spatial AI framework for identifying conserved tissue-state organisation across trauma, oral disease, and cardiovascular tissue using spatial transcriptomic data. Methods: Four public spatial transcriptomic datasets spanning wound healing, periodontitis, oral squamous cell carcinoma, and cardiac tissue were integrated using recurrence modelling, graph-based spatial learning, fuzzy tissue-state analysis, and tensor decomposition. Cross-domain coupling, spatial fragmentation, recurrence structure, and permutation-based topological validation were evaluated. Results: Six conserved fuzzy tissue states were identified, dominated by extracellular matrix remodelling, fibroblast/stromal activation, endothelial signalling, and inflammatory pathways. Latent embedding analysis demonstrated strong overlap between trauma and oral domains, while cardiovascular tissue exhibited more compact spatial organisation. Oral inflammatory tissue showed the highest fragmentation, whereas cardiovascular tissue demonstrated greater recurrence coherence. Tensor decomposition identified conserved stromal-remodelling programmes across domains. Permutation testing confirmed significantly elevated graph modularity and reduced spatial entropy relative to null distributions. Conclusion: The proposed framework identified conserved spatial tissue-state architecture linking wound healing, oral pathology, and cardiovascular tissue despite differences in tissue origin, pathology, and acquisition technology. Significance: These findings demonstrate the potential of spatial AI for investigating conserved stromal and inflammatory microenvironmental organisation across clinically related disease systems and may support spatial biology research in trauma–oral–systemic health.

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20.

arXiv (quant-ph) 2026-06-15 DOI: arXiv:2601.06468

Emission of time-ordered photon pairs from a coherently-driven Kerr microcavity

作者:

Ferdinand Claude↗Yueguang Zhou↗Sylvain Ravets↗Jacqueline Bloch↗Martina Morassi↗Aristide Lema\^itre↗Alberto Bramati↗Anna Minguzzi↗Iacopo Carusotto↗Ir\'en\'ee Fr\'erot↗Maxime Richard↗

arXiv:2601.06468v2 Announce Type: replace-cross Abstract: Weakly-interacting many-body systems possess remarkable quantum properties that are essential components of quantum technologies, and constitute a topic of fundamental interest. Here we show that in a solid-state nonlinear microcavity embedding discrete modes of exciton-dressed photons, we can isolate a single eigenmode of quantum fluctuations from the much brighter coherent fraction of the field. In this regime, we perform frequency- and time-resolved correlations measurements between photons on the red and blue side of the fluctuations spectrum. When the average number of fluctuation quanta is smaller than one, we observe the formation of large pairwise time-ordered correlations: red photon first and blue photon second. We show that this peculiar time-ordering correlation emerges spontaneously from the interplay between frequency-resolved detection, and the non-trivial internal quantum structure of the elementary fluctuations.

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21.

bioRxiv (Bioinfo) 2026-06-23 DOI: HASH:f6e5b0c1e7cf1572aea0101ecd3b4578

Model-based inference of gene expression noise from single-cell RNA-sequencing data

作者:

Giersdorf↗Rogers↗D. W↗Christensen↗Dutheil↗J. Y↗

The heterogeneity of expression levels among genetically identical cells, termed gene expression noise, is a property of the gene expression process whose importance in the biology of organisms and their evolution is increasingly recognized. Measuring gene expression noise requires single-cell expression data, as obtained from single-cell RNA sequencing (scRNASeq). Its estimation, however, is challenging owing to (i) the presence of technical noise in addition to biological noise, and (ii) the heterogeneity of cell types in the sampled population. We propose a maximum-likelihood framework to infer biological noise from scRNASeq data, while accounting for technical noise, dropout probabilities, and distinct cell sequencing depths. We demonstrate the parameter identifiability using simulations and that the resulting noise estimates are uncorrelated from the mean gene expression, and therefore do not need extra correction in downstream analyses, easing intra- and inter- genome comparisons. Using two technical replicates of scRNASeq data from the wild yeast *Saccharomyces paradoxus*, we show that expression noise can be inferred in a reproducible manner.

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22.

bioRxiv (Bioinfo) 2026-06-19 DOI: HASH:309baee803313d032a196fb7dad80cea

FeatureMSEA: Metabolic Feature-based Metabolite Set Enrichment Analysis

作者:

Liu↗Wang↗Huan↗Shen↗

Liquid chromatography-mass spectrometry (LC-MS) untargeted metabolomics detects thousands of metabolic features, but converting these chemical signals into metabolite set-level biological knowledge remains challenging. This is because most features lack unambiguous metabolite identities. Conventional metabolite set enrichment analysis (MSEA) generally requires identified metabolites and metabolite-level ranked inputs, leaving much of the untargeted feature space unused. Here, we present FeatureMSEA, a feature rank-based framework for metabolite set enrichment directly from metabolic features with ambiguous annotations. FeatureMSEA integrates multi-evidence feature-to-metabolite annotation, feature rank-based enrichment scoring, permutation-based inference, and iterative leading-edge-guided annotation refinement, with an optional LLM-assisted module for post-enrichment interpretation. In null comparisons of randomly split healthy samples, FeatureMSEA detected no significant metabolite sets, whereas metabolite-set spike-in simulations showed recovery of implanted signals. In a cerebrospinal fluid metabolomics study of Huntington's disease, FeatureMSEA identified dysregulated metabolite sets related to amino acid metabolism, mitochondrial energy metabolism, and neuroactive signaling. MS/MS-based annotation analysis further showed that FeatureMSEA refinement reduced annotation ambiguity and prioritized chemically consistent candidate metabolites. In summary, FeatureMSEA provides a general framework for extracting metabolite set-level biological insights from LC-MS untargeted metabolomics in which confident metabolite identification remains incomplete.

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23.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2606.17816

Conservation Laws for Modern Neural Architectures

作者:

Viet-Hoang Tran↗Vinh Khanh Bui↗Tan Lai Ngoc↗Nam Nguyen↗Tuan Dam↗Tan M. Nguyen↗

arXiv:2606.17816v1 Announce Type: cross Abstract: Understanding gradient descent dynamics is key to explaining the success of over-parameterized models, where implicit bias manifests through conservation laws in gradient flow. While such laws are well understood for linear and ReLU networks, they remain largely unexplored for modern architectures. This work develops a unified framework to characterize conservation laws for contemporary models, including feedforward networks with GELU, SiLU, and SwiGLU activations, multihead attention with sinusoidal and rotary positional encodings, and Mixture-of-Experts architectures under diverse gating designs. Our theoretical findings are supported by experiments that validate the predicted invariants.

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24.

arXiv (CS.AI) 2026-06-12 DOI: arXiv:2606.12699

LLM-Powered Personalized Glycemic Assessment in Type 2 Diabetes with Wearable Sensor Data

作者:

Yifan Gao↗Yanmin Gong↗Yun Shi↗Yuanxiong Guo↗

arXiv:2606.12699v1 Announce Type: cross Abstract: Type 2 Diabetes (T2D) poses an increasing global health threat, demanding effective glycemic assessment to support personalized and improved diabetes care. Wearable sensors such as continuous glucose monitors (CGM) and fitness trackers offer many valuable insights for glycemic assessment. However, effectively analyzing these data requires integration with essential individual-level context. Existing methods are often based on traditional machine learning (ML) and rely primarily on historical blood glucose measurements and overlook personalized information, which limits their performance across diverse diabetes populations. Recent advances in large language models (LLMs) have demonstrated their ability to integrate diverse data modalities while modeling sequential dependencies, motivating the exploration of their potential for personalized glycemic assessment. In this paper, we propose GlyLLM, an LLM-powered framework for modeling CGM-based glycemic dynamics through the integration of wearable sensor data and structured metadata. GlyLLM can leverage the extensive prior knowledge of pre-trained LLMs and achieve sensor-text semantic abstraction at decision time. Experiments on two related tasks on the AI-READI dataset demonstrate that our model outperforms traditional ML methods by an average of 13.66\% in Root Mean Squared Error (RMSE) for glucose forecasting and 13.08\% in Area Under the Receiver Operating Characteristic (AUROC) for diabetes categorization. Additionally, our ablation study shows that diabetes surveys and biometric tests are more critical than other health information for glycemic assessment. Our work presents a promising step toward harnessing the power of LLMs to advance personalized glycemic assessment in T2D care.

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25.

arXiv (CS.CL) 2026-06-24 DOI: arXiv:2606.23566

LangMAP: A Language-Adaptive Approach to Tokenization

作者:

Clara Meister↗Suchir Salhan↗Andrzej Szablewski↗Pietro Lesci↗Paula Buttery↗Tiago Pimentel↗

Language-specific tokenizers improve tokenization quality and the downstream performance of models on those languages. However, using such a tokenizer comes at a cost: either a new model must be trained from scratch, or the vocabulary of an existing pretrained model must be adapted. We propose Language-adaptive Maximum a Posteriori (LangMAP) Tokenization, a tokenization scheme that extends the UnigramLM algorithm to the multilingual setting, producing language-specific tokenization from a single shared vocabulary. Notably, LangMAP can be used when training a multilingual language model from scratch or to adapt a pretrained model's tokenizer to individual languages without changing its vocabulary. While language labels are required at training time, a key feature of the algorithm is that it then performs language-specific tokenization at inference without knowledge of the input's language. Across 14 open-source tokenizers, 9 natural languages, and 9 programming languages, LangMAP improves morphological boundary alignment and, for all coding languages tested, alignment with abstract syntax tree (AST) leaf boundaries. In fine-tuning experiments, results are mixed: LangMAP improves target-language grammatical acceptability (MultiBLiMP) on the languages tested; its benefits are less consistent on knowledge-related tasks (Global-PIQA, Belebele).

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