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01.
arXiv (math.PR) 2026-06-24

Uniform-in-time Gaussian fluctuations for multiscale nonlinear stochastic systems via Malliavin Calculus

作者:
Shivam Singh Dhama↗

arXiv:2606.23865v1 Announce Type: new Abstract: We establish a uniform-in-time quantitative central limit theorem (QCLT) for a nonlinear slow-fast stochastic system. We identify significant weaker sufficient conditions that enable us to obtain time-independent bounds for the Wasserstein distance between the fluctuation process and a centered Gaussian random variable. To prove our main result, we utilize tools from Malliavin calculus, specifically the second-order Poincaré inequality. In this context, applying the Poincaré inequality requires demonstrating uniform bounds over time for both the first- and second-order Malliavin derivatives.

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02.
arXiv (quant-ph) 2026-06-19

Generating function and Bloch representation for quantum Fisher tensor

作者:
Felipe P. Abreu↗Wei Chen↗

arXiv:2511.05260v2 Announce Type: replace Abstract: The Uhlmann relative amplitude between two density matrices is shown to be a generating function, through which the quantum Fisher tensor that contains both the quantum Fisher information matrix and the mean Uhlmann curvature can be obtained via differentiation over system parameters. In the pure state limit, our generating function recovers that of the quantum geometric tensor proposed by Het\'{e}nyi and L\'{e}vay, and also clarifies the fidelity and phase between two quantum states as the generating functions of the quantum metric and Berry curvature, respectively. A generic expression for the quantum Fisher tensor in terms of the Bloch representation of density matrices is derived, which facilitates the calculation of the tensor, mean Uhlmann curvature, and geometric properties derived from the quantum Fisher information matrix. Canonical ensembles of spins are adopted to demonstrate our formalism, which reveals a constant Ricci scalar, a vacuum Einstein equation, and a cosmological constant on the 3D Euclidean manifold of the magnetic field

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03.
arXiv (math.PR) 2026-06-18

Kemeny's constant minimization for reversible Markov chains via structure-preserving perturbations

作者:
Fabio Durastante↗Miryam Gnazzo↗Beatrice Meini↗

arXiv:2510.24679v4 Announce Type: replace-cross Abstract: Kemeny's constant measures the efficiency of a Markov chain in traversing its states. We investigate whether structure-preserving perturbations to the transition probabilities of a reversible Markov chain can improve its connectivity while maintaining a fixed stationary distribution. Although the minimum achievable value for Kemeny's constant can be estimated, the required perturbations may be infeasible. We reformulate the problem as an optimization task, focusing on solution existence and efficient algorithms, with an emphasis on the problem of minimizing Kemeny's constant under sparsity constraints.

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04.
arXiv (CS.LG) 2026-06-15

AGORA: Can Deliberation and Governance Gates Absorb Participation Bias in Transit Planning?

作者:
Jung-Hoon Cho↗Cathy Wu↗

arXiv:2606.13696v1 Announce Type: cross Abstract: Transit network design depends not only on the optimization algorithm but also on who shows up to the public hearing. Current practice often collects one-directional comments from self-selected attendees, leaving participant mix as an uncontrolled source of outcome variation. We present AGORA, a framework that holds the network, demand, and solver fixed while systematically varying meeting composition through stakeholder agents, structured deliberation, and governance gates. Across two standard benchmark networks at different scales, we find that (i) aggregate outcomes vary little across compositions, but on tail risk and fairness disparity, representative sampling still tends to outperform skewed compositions; (ii) without deliberation, composition produces no variation at all, showing that deliberation is the mechanism through which who attends affects outcomes; and (iii) governance gates compress cross-profile variance without shifting the average outcome on Mandl, but low acceptance on Mumford0 shows thresholds require instance-specific calibration. These findings reframe participation bias from an uncontrollable input to a process-design problem: even without guaranteed representative attendance, well-structured deliberation and governance criteria can substantially reduce how much outcomes depend on who is in the room.

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05.
arXiv (CS.LG) 2026-06-24

The Degeneracy Distillery

作者:
T. Lucas Makinen↗Deaglan J. Bartlett↗Niall Jeffrey↗Benjamin D. Wandelt↗

arXiv:2606.23838v1 Announce Type: new Abstract: When two or more parameters or labels produce similar data, they are degenerate, or hard to distinguish. Degeneracies render both label prediction and inverse problems difficult, since both machine learning algorithms and probabilistic samplers rely on the distinguishability of data and its gradients with respect to parameters. However, identifying degeneracies in physical models or real-world datasets can be elucidating about the choice of model or the underlying process that produces the data. We present the degeneracy distillery, a method that (1) detects and (2) resolves degenerate parameter combinations (a) automatically and (b) symbolically, from parameter-data (or parameter-simulation) pairs alone, through estimation and flattening of the Fisher information matrix. By exploring the information geometry of the likelihood, we characterize degeneracies as an intrinsic property of the physical model, requiring no realised data observation. We demonstrate our approach on a range of synthetic and real-world problems, discovering symbolic coordinate transformations that identify the combinations of parameters of a model which yield independent effects on the data. The resulting coordinates flatten the Fisher information in expectation globally, in contrast to posterior-based methods that flatten only at a single point, and substantially reduce the simulation budget required for downstream neural posterior estimation. In test cases we require up to $10\times$ fewer simulations for posterior estimation at matched validation calibration whilst simultaneously gaining physical insight on the system.

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06.
arXiv (CS.CL) 2026-06-24

What's Missing in Vision-Language Models? Probing Their Struggles with Causal Order Reasoning

作者:
Zhaotian Weng↗Haoxuan Li↗Xin Eric Wang↗Kuan-Hao Huang↗Jieyu Zhao↗

Despite the impressive performance of vision-language models (VLMs) on downstream tasks, their ability to understand and reason about causal relationships in visual inputs remains unclear. Robust causal reasoning is fundamental to solving complex high-level reasoning tasks, yet existing benchmarks often include a mixture of reasoning questions, and VLMs can frequently exploit object recognition and activity identification as shortcuts to arrive at the correct answers, making it challenging to truly assess their causal reasoning abilities. To bridge this gap, we introduce VQA-Causal and VCR-Causal, two new benchmarks specifically designed to isolate and rigorously evaluate VLMs' causal reasoning abilities. Our findings reveal that while VLMs excel in object and activity recognition, they perform poorly on causal reasoning tasks, often only marginally surpassing random guessing. Further analysis suggests that this limitation stems from a severe lack of causal expressions in widely used training datasets, where causal relationships are rarely explicitly conveyed. We additionally explore fine-tuning strategies with hard negative cases, showing that targeted fine-tuning can improve model's causal reasoning while maintaining generalization and downstream performance. Our study highlights a key gap in current VLMs and lays the groundwork for future work on causal understanding.

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07.
arXiv (CS.AI) 2026-06-25

Logit Distance Bounds Representational Similarity

作者:
Beatrix M. G. Nielsen↗Emanuele Marconato↗Luigi Gresele↗Andrea Dittadi↗Simon Buchholz↗

arXiv:2602.15438v3 Announce Type: replace-cross Abstract: For a broad family of discriminative models that includes autoregressive language models, identifiability results imply that if two models induce the same conditional distributions, then their internal representations are equal up to an invertible linear transformation. We ask whether an analogous conclusion holds approximately when the distributions are close instead of equal. Building on the observation of Nielsen et al. (2025) that closeness in KL divergence need not imply high linear representational similarity, we study a distributional distance based on logit differences and show that closeness in this distance does yield linear similarity guarantees. Specifically, we define a representational dissimilarity measure based on the models' identifiability class and prove that it is bounded by the logit distance. We further show that, when model probabilities are bounded away from zero, KL divergence upper-bounds logit distance; yet the resulting bound fails to provide nontrivial control in practice. As a consequence, KL-based distillation can match a teacher's predictions while failing to preserve linear representational properties, such as linear-probe recoverability of human-interpretable concepts. In distillation experiments on synthetic and image datasets, logit-distance distillation yields students with higher linear representational similarity and better preservation of the teacher's linearly recoverable concepts.

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08.
arXiv (quant-ph) 2026-06-12

A ribbon ZX calculus for gauge theory

作者:
Gabriel Wong↗Razin A. Shaikh↗William Donnelly↗

arXiv:2606.13551v1 Announce Type: cross Abstract: ZX calculus provides a graphical formalism for reasoning about quantum processes, built from two interacting Frobenius algebras associated with the Z and X bases of a qubit. While it has found widespread application in quantum information and computing, its relationship to quantum field theory has only recently begun to be explored. In this work, we further develop this connection by providing a generalization of ZX calculus to two-dimensional Yang Mills theory with a compact gauge group. The key observation is that both frameworks can be organized around the Hopf Frobenius algebraic structure associated with a group algebra, which can in turn be described by the diagrammatics of two dimensional topological quantum field theory. Given the well known relationship between gauge theory and gravity in two and three dimensions, our work paves the way for applications of ZX to low dimensional gravity.

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09.
arXiv (CS.LG) 2026-06-18

Learning from Your Own Mistakes: Constructing Learnable Micro-Reflective Trajectories for Self-Distillation

作者:
Zhilin Huang↗Hang Gao↗Ziqiang Dong↗Yuan Chen↗Yifeng Luo↗Chujun Qin↗Jingyi Wang↗Yang Yang↗Guanjun Jiang↗

arXiv:2606.18844v1 Announce Type: new Abstract: Self-distillation improves reasoning in large language models by using the model's own rollouts as training signal, typically through implicit logit-level alignment that minimizes KL divergence toward a privileged target distribution. However, because this supervision is generated via uncontrolled sampling, it provides no diagnostic insight into the model's specific errors or corrective guidance for its individual failure patterns. Consequently, the model learns to imitate a privileged distribution rather than receiving fine-grained corrections that pinpoint where and why its reasoning fails. In this paper, we propose Trajectory-Augmented Policy Optimization (TAPO), which advances self-distillation from implicit distributional alignment to explicit trajectory construction. During RL training, the model produces both correct and incorrect rollouts to the same query, and TAPO leverages this contrastive structure to construct micro-reflective corrections, new training trajectories that retain the model's erroneous reasoning up to the point of failure, then insert a natural-language diagnosis and corrected reasoning guided by a correct reference from the same sampling group. Since each trajectory is anchored in the learner's own prefix and solutions, the corrective signal preserves the model's on-policy distribution to a greater extent than the position-wise alignment imposed by KL-based methods. To integrate these trajectories, TAPO introduces difficulty-aware candidate selection at the model's capability boundary and decoupled advantage estimation to prevent gradient contamination. Experiments on AIME 2024, AIME 2025, and HMMT 2025 show that TAPO achieves consistent improvements over GRPO under the same number of training steps. Further analysis demonstrates that TAPO strengthens both first-pass reasoning and error-correction effectiveness.

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10.
Nature (Science) 2026-06-10

Structural basis for chaperone-guided assembly of RNA-induced silencing complex

作者:
Young-Yoon Lee↗

The RNA-induced silencing complex (RISC), comprising an Argonaute (AGO) protein and a small RNA, is the central effector in RNA silencing. Small RNAs are loaded onto AGO as bulky duplexes in an HSP70- and HSP90-dependent process1–3, but the molecular mechanism remains poorly understood. Here we identify the human AGO–HSP90–p23 complex, which captures AGO in an RNA-free state, termed the AGO maturation complex (AMC). The purified AMC enables RNA loading and AGO folding, faithfully recapitulating de novo RISC assembly. Using cryogenic electron microscopy, we determined the structure of AMC bound to a microRNA duplex. In contrast to its conformation in the RISC, AGO adopts a highly open conformation in the AMC: the N domain and the RNA-binding module (PAZ–MID–PIWI) are fully detached and anchored to opposite sides of the HSP90 dimer, connected solely by the unfolded L1 linker. This arrangement exposes a positively charged cleft that accommodates an RNA duplex. AGO folding is facilitated by a small RNA duplex containing a 5′-terminal phosphate—but not by single-stranded RNAs—revealing a role for the RNA duplex as a chaperone-like cofactor that directs AGO domain assembly. These findings elucidate the RISC assembly mechanism and establish the AMC as a molecular tool for probing optimal RNA features and chemical modifications for the rational design of small interfering RNA therapeutics. Our study also sheds light on how chaperones, together with ligands, can guide the folding of client proteins. Structures of the AGO maturation complex reveal how chaperones and an RNA duplex drive assembly of the RNA-induced silencing complex.

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11.
arXiv (CS.AI) 2026-06-16

When Do We Need LLMs? A Diagnostic for Language-Driven Bandits

作者:
Uljad Berdica↗Fernando Acero↗Anton Ipsen↗Parisa Zehtabi↗Michael Cashmore↗Manuela Veloso↗

arXiv:2604.05859v2 Announce Type: replace Abstract: We study Contextual Multi-Armed Bandits (CMABs) for non-episodic decision-making problems where the context includes both textual and numerical information (e.g., recommendation systems, dynamic portfolio adjustments, offer selection; all frequent problems in finance). While Large Language Models (LLMs) are increasingly applied to these settings, utilizing LLMs for reasoning at every decision step is computationally expensive, and uncertainty estimates are difficult to obtain. To address this, we introduce LLMP-UCB, a bandit algorithm that derives uncertainty estimates from LLMs via repeated inference. However, our experiments demonstrate that lightweight numerical bandits operating on text embeddings (dense or Matryoshka) match or exceed the accuracy of LLM-based solutions at a fraction of their cost. We further show that embedding dimensionality is a practical lever on the exploration-exploitation balance, enabling cost-performance tradeoffs without prompt complexity. Finally, to guide practitioners, we propose a geometric diagnostic based on the arms' embeddings to decide when to use LLM-driven reasoning versus a lightweight numerical bandit. Our results provide a principled deployment framework for cost-effective, uncertainty-aware decision systems with broad applicability across AI use cases.

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12.
arXiv (math.PR) 2026-06-16

Stein's method for the matrix normal distribution

作者:
Robert E. Gaunt↗Fr\'ed\'eric Ouimet↗Donald Richards↗

arXiv:2601.11422v2 Announce Type: replace-cross Abstract: This work presents the first systematic development of Stein's method for matrix distributions. We establish the basic essential ingredients of Stein's method for matrix normal approximation: we derive an extended-generator-based Stein identity from a matrix Ornstein-Uhlenbeck diffusion with two-sided scales, provide an explicit semigroup representation for the solution of the Stein equation, and obtain regularity estimates for the solution. The new methodology is demonstrated in three examples: (i) smooth Wasserstein distance bounds to quantify the matrix central limit theorem (a didactic example), (ii) a Wasserstein distance bound for the matrix normal approximation of the centered matrix $T$ distribution, and (iii) a Stein's method-of-moments approach to estimating the row and column covariance factors of the matrix normal, yielding a flexible class of weighted flip-flop Stein estimators that generalize Dutilleul's classical flip-flop algorithm and naturally accommodate row/column importance weights, systematic missingness, and projection onto structured covariance families. The latter two examples are intrinsically matrix-valued and cannot be treated using naive vectorization.

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13.
arXiv (CS.LG) 2026-06-25

Beyond One-Size-Fits-All: Diagnosis-Driven Online Reinforcement Learning with Offline Priors

作者:
Guozheng Ma↗Lu Li↗Zilin Wang↗Pierre-Luc Bacon↗Dacheng Tao↗

arXiv:2606.25527v1 Announce Type: new Abstract: Online reinforcement learning (RL) agents increasingly depend on knowledge acquired offline to achieve practical efficiency. Originally studied in offline-to-online RL, this paradigm now spans foundation model post-training and embodied intelligence, with prior types expanding from offline datasets and pre-trained policies to increasingly diverse knowledge sources such as multimodal foundation models and generative world models. Offline priors have become central to how deep RL is developed and deployed. However, this reliance introduces a challenge that the prevailing benchmark-driven paradigm cannot resolve: because prior validity varies across deployments and shifts during training, no single approach to managing it is universally optimal, and benchmark rankings offer limited guidance for real-world deployments. Rather than pursuing universal solutions, we argue that the field should shift to diagnosis-driven tension management, in which deployment-specific evidence guides how the learner relates to its priors throughout training, enabling both flexible and adaptive deployment. We support this position with a framework characterizing how priors reshape online optimization through three functional roles, controlled experiments demonstrating help-or-hurt reversals, cross-domain evidence from foundation model post-training to embodied intelligence, and engagement with five substantive counterarguments.

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14.
medRxiv (Medicine) 2026-06-16

Cardiac positronium lifetime in human PET: a reproducible right-left ventricular contrast that is not explained by blood oxygenation

作者:
Zermeno↗E. D↗

Background. Ortho-positronium (o-Ps) lifetime, now measurable in vivo on long-axial-field-of-view (LAFOV) PET/CT, has been proposed as a biomarker of tissue oxygenation and hypoxia. Because o-Ps lifetime is dominated by tissue free-volume structure while the oxygen- specific contribution is small, whether an in-vivo lifetime contrast reflects oxygenation rather than anatomy is an open, identifiability-limited question. Aim. To test the oxygenation hypothesis directly using the heart's natural arterial/venous oxygenation contrast, with a built-in anatomical control. Methods. We re-analysed a public [82Rb]Cl human cardiac LAFOV PET/CT dataset (5.30 x 10^8 evaluated three-photon events). Per-compartment o-Ps lifetimes were extracted with a background-plus-two-component exponentially-modified-Gaussian (EMG) model. The list-mode to image mapping and right/left ventricle (RV/LV) identity were established lifetime-free (the mapping reproduces the provider's reconstructed image at block-correlation 0.998 and wins a joint multi-organ alignment panel). We applied a confound battery: registration stress test, blood-core vs wall, lung-air and wall-myocardium partial-volume, tissue density; and a structure/position-matched control (pulmonary artery, deoxygenated, vs aorta, oxygenated). An isotope-matched 82Rb uniform-quartz reference bounded the instrument's positional behaviour. All results were produced by two independent analysis pipelines. Results. RV o-Ps lifetime exceeded LV by delta tau = +0.304 ns (RV 1.700 +/- 0.172, LV 1.396 +/- 0.130 ns; about 1.4 sigma), in the oxygen-expected direction; the contrast was stable across +/-16 mm registration perturbation (sign preserved in 100% of 342 shifts) and resided in the blood core, not the wall. However, the matched-vessel control was null: pulmonary artery minus aorta = -0.011 +/- 0.344 ns. Lung-air and wall-myocardium partial-volume were disfavoured, and the effect fell within the isotope-matched 82Rb instrumental positional envelope (about 0.1-0.35 ns over 40 mm in uniform material). Conclusion. On this single subject, the cardiac o-Ps lifetime contrast does not provide a clean readout of blood oxygenation: an oxygenation effect of the observed (about 0.3 ns) magnitude is ruled out by the matched control, while a small physiological effect cannot be excluded. We provide a reusable confound-control battery for evaluating future in-vivo o-Ps oxygenation claims. Multi-subject replication with anatomy decoupled from oxygenation is required.

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

CacheMuon: Using Temporal Preconditioning To Approximate Polar Factor

作者:
Bishnu Dev↗Sushil Bohara↗Martin Tak\'a\v{c}↗Samuel Horv\'ath↗

arXiv:2606.16371v1 Announce Type: new Abstract: Muon is an optimizer that computes updates using the polar factor of the momentum matrix and has shown strong empirical performance across a range of training settings. A key component of Muon is the Newton-Schulz iteration used to compute this polar factor. Although this avoids the cost of an exact singular value decomposition, it remains expensive in practice because it is applied at every optimization step. At the same time, the momentum matrix changes smoothly over training, suggesting strong temporal correlation in the corresponding polar factors. In this paper, we exploit this structure and propose CacheMuon, a temporal preconditioning method that reuses information from previous optimization steps to approximate the polar factor at the current step. This reduces redundant orthogonalization computation across iterations. We analyze CacheMuon as an inexact Muon update, with error controlled by fresh-solver error and cache staleness. Empirically, CacheMuon provides a controllable quality-efficiency frontier: conservative thresholds closely match fresh Muon on language-model and vision training while reducing orthogonalization FLOPs, whereas more aggressive thresholds yield larger arithmetic savings at the cost of modest validation-quality degradation.

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16.
arXiv (CS.AI) 2026-06-19

HilDA: Hierarchical Distillation with Diffusion for Advancing Self-Supervised LiDAR Pre-trainin

作者:
Maciej Wozniak↗Jesper Ericsson↗Hariprasath Govindarajan↗Truls Nyberg↗Thomas Gustafsson↗Patric Jensfelt↗Olov Andersson↗

arXiv:2606.20189v1 Announce Type: cross Abstract: Leveraging Vision Foundation Models (VFMs) for camera-to-LiDAR knowledge distillation offers a promising solution to the scarcity of annotated data needed to represent the immense geometric and kinematic diversity of real-world autonomous driving (AD). However, current approaches typically treat VFMs as black-box teachers, relying exclusively on frame-wise feature similarity. Consequently, they do not fully exploit the teacher's layer-wise semantic structure and global context, as well as the rich spatiotemporal information inherent in LiDAR sequences. We propose HilDA, a self-supervised pretraining framework for LiDAR backbones that better captures the semantic what and geometric where needed for driving tasks. HilDA combines hierarchical distillation comprising multi-layer distillation for progressive semantic alignment and global context distillation for scene-level semantics, with a temporal occupancy diffusion objective promoting spatiotemporal consistency. Models pre-trained with HilDA achieve state-of-the-art results on cross-modal distillation benchmarks and outperform models trained via prior distillation approaches on 3D object detection, scene flow, and semantic occupancy prediction. Code available at: https://maxiuw.github.io/hilda.

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

HYDRA-X: Native Unified Multimodal Models with Holistic Visual Tokenizers

作者:
Guozhen Zhang↗Xuerui Qiu↗Yutao Cui↗Tianhui Song↗Changlin Li↗Junzhe Li↗Tao Huang↗Xiao Zhang↗Yang Li↗Jianbing Wu↗Miles Yang↗Zhao Zhong↗…

Holistic visual tokenizers are fundamental to unified multimodal models (UMMs) as they map diverse visual inputs into a unified representation space. In this paper, we present HYDRA-X, the first UMM that unifies image and video tokenization within a single Vision Transformer (ViT). Our design is driven by two core challenges: efficiently injecting spatiotemporal reconstruction capability into a native ViT, and embedding image- and video-level semantic awareness into the latent space. To address the first, comprehensive ablations reveal two key findings: (1) frame-level causal temporal attention suffices for visual reconstruction, whereas full spatiotemporal attention degrades it; and (2) hierarchical temporal compression substantially outperforms single-step alternatives. To tackle the second, we propose a lightweight decompressor that upsamples temporally compressed features under joint image-video teacher supervision, thereby enforcing complementary semantic structures within the compact latent space. Building on this holistic tokenizer, we further propose a principled improvement of the editing pipeline: source-target interaction should occur at the latent level inside the tokenizer rather than at the semantic level inside the LLM, substantially improving editing consistency and accelerating convergence. Instantiated at the 7B dense model, HYDRA-X achieves strong performance across image and video understanding and generation tasks, paving the way for future unified-tokenizer UMMs.

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18.
bioRxiv (Bioinfo) 2026-06-11

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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19.
arXiv (CS.AI) 2026-06-24

Maestro Order: A Model-Agnostic Orchestration Harness

作者:
Hidayet Aksu↗

arXiv:2606.23983v1 Announce Type: cross Abstract: A single forward pass of a capable model is a fast, fluent, and unreliable problem-solver: it is right often enough to be useful and wrong often enough to be dangerous; in language models, such confident errors are known as hallucinations. We present Maestro Order, a model-agnostic orchestration harness that turns unreliable solvers into reliable problem-solving systems by composing them according to four structural primitives (decompose, ensemble, verify, and recurse) and a budget-aware controller that decides where to spend compute. The harness treats any model as a black-box base solver behind a uniform interface, layers a verifier ensemble whose discrimination is measured online, and allocates verification and voting to the stages with the highest marginal reliability per unit cost. We give the architecture, the message and state schema, the controller algorithm, and the engineering that makes it deterministic, observable, and fault-tolerant. We then specify an evaluation methodology (reliability at fixed cost, coverage, calibration, and ablations) and report results from a faithful Monte Carlo simulation of the harness over a parameterized solver/verifier model. The simulation reproduces the predicted laws quantitatively: verification amplifies reliability geometrically (e.g. $0.55\to0.98$ with two gates, $\to0.999$ with four), voting helps only above chance and is limited by shared errors, and a budget-aware controller reaches a target reliability at a small fraction of the cost of voting alone by selecting the cheapest mechanism for each regime. We close with failure modes (verifier gaming, correlated errors, and decomposition error compounding) and concrete guidance: build robust checkers, diversify solvers, and let the controller put compute where the information is.

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20.
arXiv (CS.LG) 2026-06-25

From Forecasting Leaderboards to Deployment Decisions: A Fail-Closed Certification Protocol

作者:
Geumyoung Kim↗

arXiv:2606.24996v1 Announce Type: new Abstract: Forecasting leaderboards rank models by predictive quality, but their winners are often read as deployment-ready top-1 advice. That reading can fail when forecasts are passed through a fixed decision interface, such as an alert threshold, a top-k budget, or a switching-cost policy. We study when a forecast-side winner can be certified as deployment-actionable for a specified interface and deployed utility. We introduce a fail-closed certification protocol whose gates are sufficient evidential conditions for a strong claim: a friction-caused, non-tie, statistically supported, and recurrent deployment-side reversal. Traffic-Hourly provides a certified anchor: winners agree at zero friction, but positive switching friction makes the forecast winner deployed-suboptimal. A locked native audit tests overclaiming: across 22 verified candidates and 362 full-grid cells, 155 apparent forecast/deployment winner inversions are blocked before certification. The contribution is not a new forecaster, metric, or universal utility, but a conservative protocol for deciding when forecasting leaderboard winners should be read as deployment-actionable top-1 advice.

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21.
medRxiv (Medicine) 2026-06-23

Novel loci and multi-omics risk models for rheumatoid arthritis through a million-participant genome-wide association meta-analysis

作者:
Velazquez Silva↗G. L↗Dzigurski↗Vosa↗Taba↗Märtson↗Tootsi↗Ulst↗Müller↗Estonian Biobank Research Team↗Org↗Laisk↗…

Rheumatoid arthritis (RA) remains incompletely understood, limiting targeted prevention. In this work, genome-wide association study meta-analyses were performed for RA and seropositive RA, comprising approximately one million participants of European ancestry. Eight and six novel genomic risk loci were defined for RA and seropositive RA, and candidate causal genes were identified, highlighting relevant biological pathways, including established immune pathways and estrogen metabolism. Novel disease-specific polygenic risk scores (PRSs) were constructed, enhancing predictive performance over clinical risk factors (incremental C-statistics of 2.7 and 5.1 for RA and seropositive RA, respectively). In parallel, integrating metabolomic data into high-dimensional models enhanced risk stratification over models based on clinical risk factors and genomics, particularly for seropositive RA, where the hazard ratio of the highest decile increased from 4.869 to 5.697. These findings expand the understanding of genetic factors underlying RA and support the value of including PRSs in risk assessment, while suggesting metabolomic integration may further enhance risk stratification, particularly for seropositive RA.

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22.
arXiv (CS.AI) 2026-06-17

LongWebBench: Evaluating Structural and Functional Webpage Generation in Long-Horizon Settings

作者:
Yi Zhao↗Zhen Yang↗Mengpan Chen↗Mingde Xu↗Shanghui Gong↗Xijun Liu↗Jibing Gong↗Jie Tang↗

arXiv:2606.17727v1 Announce Type: new Abstract: Recent vision-language models (VLMs) have shown promising progress in generating webpages from visual inputs, yet existing evaluations mainly focus on short, single-screen, and largely static webpages. We introduce LongWebBench, a benchmark for evaluating long-horizon webpage generation from both structural and functional perspectives. LongWebBench contains 490 real-world long webpages for structural fidelity evaluation and 507 goal-oriented interaction tasks over 129 webpages for functional evaluation. It employs two complementary protocols: a multi-dimensional VLM-based metric for assessing long-range structural coherence, and a DOM-augmented agent-based pipeline for end-to-end functional verification. We further examine the automatic evaluation protocols through human agreement analysis. Experiments with state-of-the-art open-source and proprietary VLMs under single-image and multi-image settings reveal that structural fidelity degrades as webpage length increases, while visually plausible generations often fail to support executable multi-step interactions. These results highlight the need to evaluate long webpage generation beyond visual similarity, with executable interaction as a core criterion. Our code and data are available at https://github.com/zheny2751-dotcom/LongWebBench.

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23.
arXiv (CS.AI) 2026-06-19

CRAX: Fast Safe Reinforcement Learning Benchmarking

作者:
Tristan Tomilin↗Mourad Boustani↗Mickey Beurskens↗Thiago D. Sim\~ao↗

arXiv:2606.20376v1 Announce Type: cross Abstract: Safety is a core concern for deploying reinforcement learning (RL) agents in real-world domains such as robotics and autonomous driving. While benchmarks have been central to progress in RL, existing safety benchmarks with high-fidelity 3D physics remain computationally slow, limiting large-scale experimentation and rapid prototyping. To address this gap, we propose CRAX (Constrained RL Accelerated with JAX). Built on top of the MuJoCo XLA (MJX) physics engine with realistic 3D dynamics, CRAX leverages vectorized operations and hardware acceleration, yielding up to ~100x speedups over comparable CPU-based safety benchmarks. The benchmark features six environment suites and three agent-specific tasks, each spanning three difficulty levels. Evaluating six popular safe RL methods shows that no single approach dominates across all tasks, and reveals the trade-offs between performance and safety. We find that curriculum learning across difficulty levels and safety transfer can improve performance over direct training in harder settings.

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24.
arXiv (CS.LG) 2026-06-24

Extended pseudo-spectral physics-informed neural networks for phase-field models

作者:
Callum Marsh↗Radek Erban↗Andreas Munch↗

arXiv:2606.24660v1 Announce Type: cross Abstract: Phase-field models play a central role in the continuum description of phase separation, in which the bulk free-energy density and the interfacial thickness parameter determine pattern formation and microstructural evolution. In practice, these constitutive quantities are rarely known a priori and must be inferred from limited dynamical observations. In this work, an extended pseudo-spectral physics-informed neural network (ESPINN) framework is developed for the inverse identification of phase-field models from transient snapshot data. It enables the simultaneous recovery of both the bulk chemical potential and unknown gradient coefficients. Numerical experiments on the one-dimensional Cahn-Hilliard equation demonstrate accurate and statistically stable reconstruction in the noiseless regime, with substantial constitutive information recoverable from even a single snapshot pair. In the presence of noise, reconstruction accuracy degrades gracefully, and increasing the number of snapshots improves robustness by reducing variance across runs. These results establish ESPINN as a data-efficient and physically consistent approach for learning free-energy structure in continuum models of phase separation.

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25.
arXiv (CS.LG) 2026-06-15

LapidaryEngine: Fully Conversational Crystal Generation

作者:
Yusei Ito↗Yuta Suzuki↗Tomoya Murata↗Masaki Adachi↗

arXiv:2606.14215v1 Announce Type: new Abstract: The emergence of Large Language Models (LLMs) has inspired the vision of generating bespoke crystal materials directly from natural-language instructions, enabling users to design materials through intuitive, conversational interaction. Existing text-to-crystal generative models represent important early steps toward this goal, but they suffer from two critical limitations: (i) restricted input formats that require highly structured descriptions (e.g., chemical formulas), and (ii) one-directional generation, where models can map text to crystal but cannot perform the inverse. These limitations prevent fully conversational workflows and hinder alignment with users' inherently ambiguous and evolving desiderata. We address these challenges with LapidaryEngine, the first model to support fully conversational crystal generation. LapidaryEngine accepts free-form natural-language requests and performs iterative refinement and editing in a dialogue-like manner. The key innovation is a pivot representation, a third, intermediate form that enables bidirectional translation between text and crystal structures despite the absence of direct paired datasets. Leveraging this pivot allows robust interpretation of user feedback and precise structural control. We demonstrate LapidaryEngine across diverse tasks, including insulator discovery, stability optimization, compositional modification, and structural editing, showcasing its ability to align generated materials with user intent in an interactive manner.

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