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01.
medRxiv (Medicine) 2026-06-22

Level of Physical Activity and ApoE Status - Effects on Alzheimer's Disease and on Mortality

作者:
Ma↗Cheng↗Shao↗Zamrini↗Sui↗Tsuang↗D. W↗Logue↗Ahmed↗Kokkinos↗Faselis↗C. J↗…

Background: Alzheimer's disease and related dementias (ADRD) affect over 7.2 million Americans aged 65 and older, with the APOE-4 allele representing the strongest known genetic risk factor. Physical activity (PA) has been associated with reduced dementia risk, but its interaction with APOE genotype remains poorly characterized in large, genomically informed cohorts. Methods: We conducted a retrospective cohort analysis using linked genomic, survey, and longitudinal electronic health record data from the VA Million Veteran Program (MVP). Veterans aged

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02.
arXiv (math.PR) 2026-06-12

(Non)-hyperuniformity of perturbed lattices

作者:
David Dereudre↗Daniela Flimmel↗Martin Huesmann↗Thomas Lebl\'e↗

arXiv:2405.19881v3 Announce Type: replace Abstract: We ask whether a stationary lattice in dimension $d$ whose points are shifted by identically distributed but possibly dependent perturbations remains hyperuniform. When $d = 1$ or $2$, we show that it is the case when the perturbations have a finite $d$-moment, and that this condition is sharp. When $d \geq 3$, we construct arbitrarily small perturbations such that the resulting point process is not hyperuniform. As a side remark of independent interest, we exhibit hyperuniform processes with arbitrarily slow decay of their number variance.

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03.
arXiv (math.PR) 2026-06-11

Micro-macro population dynamics models of benthic algae with long-memory decay and generic growth

作者:
Hidekazu Yoshioka↗Kunihiko Hamagami↗

arXiv:2505.04289v4 Announce Type: replace Abstract: Benthic algae as a primary producer in riverine ecosystems develop biofilms on the riverbed. Their population dynamics involve growth and decay processes, the former owing to the balance between biological proliferation and mortality, while the latter to mechanical abrasion because of the transport of sediment particles. Contrary to the assumptions of previous studies, the decay has experimentally been found to exhibit long-memory behavior, where the population decreases at an algebraic rate. However, the origin and mathematical theory of this phenomenon remain unresolved. The objective of this study is to introduce a novel mathematical model employing spin processes to describe microscopic biofilm dynamics. A spin process is a continuous-time jump process transitioning between states 0 and 1, and the continuum limit of these processes captures the long-memory decay and generates generic growth. The proposed framework leverages heterogeneous spin rates, achieved by appropriately superposing spin processes with distinct rates, to reproduce the long-memory decay. Computational simulations demonstrate the behavior of the model, particularly emphasizing rate-induced tipping phenomena. This mathematical model provides a computationally tractable interpretation of benthic algae dynamics and their long-term prediction, relevant to river-engineering applications.

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04.
bioRxiv (Bioinfo) 2026-06-18

Predicting optimal growth temperatures of bacteria using learned structural information from a single protein

作者:
Hoffert↗Myerscough↗Dragone↗N. B↗Gebert↗M. J↗Silberg↗J. J↗Fierer↗

Temperature is a fundamental determinant of bacterial physiology and ecology. Optimal growth temperature (OGT) is highly variable across species, contributing to differences in where and when species are most likely to thrive. Although the OGTs for most bacteria remain unknown, the increasing availability of genomes from uncultivated and cultivated taxa has made it advantageous to build genomic, cultivation-independent models to infer OGT. However, pre-existing genomic models often lack the generalizability and mechanistic grounding required for robust inferences of OGT. We propose a novel framework for predicting bacterial OGT which uses learned protein structural signatures of thermal adaptation. We hypothesize that biophysical tradeoffs which dictate enzymatic functions across variable temperatures provide a more robust empirical basis for OGT prediction than broad genomic features. Our OGT-predicting model, ROSEATE, is based on a single gene, adenylate kinase (ADK), that encodes for a ubiquitous enzyme essential for energy homeostasis. ROSEATE uses high-dimensional latent space encoding via MSA Transformer, a protein language model which embeds ADKs in a manner which preserves biophysical information about embedded proteins. We show that the accuracy of the ROSEATE model is on par with other genome-based models, has a high degree of phylogenetic generalizability, and the ESM embeddings effectively capture key temperature-adaptive enzyme characteristics derived from AlphaFold structures. Because ROSEATE is based on analyses of a single ubiquitous protein, it can be used with metagenomic data to infer the community-level variation in bacterial OGTs. We demonstrate this feature of ROSEATE by reconstructing ADK sequences from over 500 environmental and host-associated metagenomes, successfully distinguishing community-wide thermal preferences across diverse habitats, from polar oceans to mammalian guts. By transitioning from genomic proxies to informationally dense protein structural features, this work provides an efficient, interpretable tool for predicting bacterial OGTs across taxa and whole communities.

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05.
arXiv (CS.LG) 2026-06-19

Compositionality Emerges in a Narrow Depth-Connectivity Regime: Architecture Constraints and Solution Manifolds

作者:
Dat H. Do↗Rushi Shah↗Duc V. Le↗Dianbo Liu↗

arXiv:2606.19941v1 Announce Type: new Abstract: Compositionality is believed to be the foundation for generalization, enabling models to reuse meaningful primitives in novel combinations. Yet, models trained with standard gradient-based optimization rarely, and often only weakly, exhibit compositional internal structure, and it remains unclear how or why such compositionality forms. In this work, we show that compositionality emerges in a narrow connectivity-depth sweet spot. Along the connectivity axis, compositionality only appears in some specifically sparse networks, heavily depends on which connections remain rather than on weights' sparsity alone. Along the depth axis, compositionality emerges within a narrow, target-dependent regime, peaking at specific depths, while both shallower and deeper networks fail. When either the depth or connectivity condition is violated, gradient descent silently converges to fractured solutions rather than compositional ones. To discover and exploit this emergence, we introduce (i) similarity-based pruning (SP) to recover compositional connectivity and (ii) a heuristic depth predictor to estimate where compositionality is most likely to appear. Finally, we support these empirical findings with a theoretical framework based on compositional sparsity, volume-ratio arguments, and feature-interference bounds, explaining why compositional solutions are reachable only in a narrow depth-connectivity regime.

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

Concatenated Matrix SVD: Compression Bounds, Incremental Approximation, and Error-Constrained Clustering

作者:
Maksym Shamrai↗

arXiv:2601.11626v2 Announce Type: replace-cross Abstract: Large collections of matrices arise throughout modern machine learning, signal processing, and scientific computing, where they are commonly compressed by concatenation followed by truncated singular value decomposition (SVD). This strategy enables parameter sharing and efficient reconstruction and has been widely adopted across domains ranging from multi-view learning and signal processing to neural network compression. However, it leaves a fundamental question unanswered: which matrices can be safely concatenated and compressed together under explicit reconstruction error constraints? Existing approaches rely on heuristic or architecture-specific grouping and provide no principled guarantees on the resulting SVD approximation error. In the present work, we introduce a theory-driven framework for compression-aware clustering of matrices under SVD compression constraints. Our analysis establishes new spectral bounds for horizontally concatenated matrices, deriving global upper bounds on the optimal rank-$r$ SVD reconstruction error from lower bounds on singular value growth. The first bound follows from Weyl-type monotonicity under blockwise extensions, while the second leverages singular values of incremental residuals to yield tighter, per-block guarantees. We further develop an efficient approximate estimator based on incremental truncated SVD that tracks dominant singular values without forming the full concatenated matrix. Therefore, we propose three clustering algorithms that merge matrices only when their predicted joint SVD compression error remains below a user-specified threshold. The algorithms span a trade-off between speed, provable accuracy, and scalability, enabling compression-aware clustering with explicit error control.

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

InfoGeo: Information-Theoretic Object-Centric Learning for Cross-View Generalizable UAV Geo-Localization

作者:
Hongyang Zhang↗Maonan Wang↗Ziyao Wang↗Hongrui Yin↗Man-On Pun↗

Cross-view geo-localization (CVGL) is fundamental for precise localization and navigation in GPS-denied environments, aiming to match ground or UAV imagery with satellite views. Existing approaches often rely on global feature alignment, but they suffer from substantial domain shifts induced by varying regional textures and weather conditions. This issue becomes even more pronounced in UAV-based scenarios, where the broader perspective inevitably introduces dense, fine-grained objects, creating significant visual clutter. To address this, we draw inspiration from Object-Centric Learning (OCL) and propose InfoGeo, an information-theoretic framework designed to enhance robustness and generalization. InfoGeo reformulates the optimization as an information bottleneck process with two core objectives: (i) maximizing view-invariant information by aligning the object-centric structural relations across views, and (ii) minimizing view-specific noisy signals through cross-view knowledge constraints. Extensive evaluations across diverse benchmarks and challenging scenarios demonstrate that InfoGeo significantly outperforms state-of-the-art methods.

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08.
arXiv (CS.LG) 2026-06-19

HGCN(O): A Self-Tuning GCN HyperModel Toolkit for Outcome Prediction in Event-Sequence Data

作者:
Fang Wang↗Paolo Ceravolo↗Ernesto Damiani↗

arXiv:2507.22524v3 Announce Type: replace Abstract: We propose HGCN(O), a self-tuning toolkit using Graph Convolutional Network (GCN) models for event sequence prediction. Featuring four GCN architectures (O-GCN, T-GCN, TP-GCN, TE-GCN) across the GCNConv and GraphConv layers, our toolkit integrates multiple graph representations of event sequences with different choices of node- and graph-level attributes and in temporal dependencies via edge weights, optimising prediction accuracy and stability for balanced and unbalanced datasets. Extensive experiments show that GCNConv models excel on unbalanced data, while all models perform consistently on balanced data. Experiments also confirm the superior performance of HGCN(O) over traditional approaches. Applications include Predictive Business Process Monitoring (PBPM), which predicts future events or states of a business process based on event logs.

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

Speaker Verification with Speech-Aware LLMs: Evaluation and Augmentation

作者:
Thomas Thebaud↗Yuzhe Wang↗Laureano Moro-Velazquez↗Jesus Villalba-Lopez↗Najim Dehak↗

arXiv:2603.10827v2 Announce Type: replace-cross Abstract: Speech-aware large language models (LLMs) can accept speech inputs, yet their training objectives largely emphasize linguistic content or specific fields such as emotions or the speaker's gender, leaving it unclear whether they encode speaker identity. First, we propose a model-agnostic scoring protocol that produces continuous verification scores for both API-only and open-weight models, using confidence scores or log-likelihood ratios from the Yes/No token probabilities. Using this protocol, we benchmark recent speech-aware LLMs and observe weak speaker discrimination (EERs above 20% on VoxCeleb1). Second, we introduce a lightweight augmentation that equips an LLM with ASV capability by injecting frozen ECAPA-TDNN speaker embeddings through a learned projection and training only LoRA adapters. On TinyLLaMA-1.1B, the resulting ECAPA-LLM achieves 1.03% EER on VoxCeleb1-E, approaching a dedicated speaker verification system while preserving a natural-language interface.

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10.
arXiv (CS.LG) 2026-06-12

Limits of spectral learning under noise

作者:
Sabin Roman↗Ljupco Todorovski↗Saso Dzeroski↗Marta Sales-Pardo↗Roger Guimera↗

arXiv:2606.13067v1 Announce Type: new Abstract: Learning functional relationships from noisy data is a central problem in scientific inference. Spectral methods approximate unknown functions by expanding them in a basis and estimating the corresponding coefficients from data, but the stability of these coefficients under noise remains poorly understood. Here we study supervised regression with additive label noise using sparse spectral representations across multiple bases and dimensions. We show that noise induces a predictable drift in the learned coefficient vector whose magnitude depends on the effective number of active spectral modes. After whitening the empirical feature geometry, we derive a closed-form expression for the overlap between noisy and noiseless coefficient vectors, revealing a universal degradation curve governed by a single intrinsic noise scale. Numerical experiments across Fourier, Legendre, Bessel, and Haar bases confirm the theoretical prediction. The results demonstrate that spectral learning exhibits a fundamental noise threshold beyond which coefficient estimates become unstable, placing intrinsic limits on recovering functional structure from noisy data.

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

Topical Phase Transitions in Artificial Intelligence Research: Large-Scale Evidence and an Early-Warning Signature for Emerging Topics

作者:
Rasul Khanbayov↗Hasan Kurban↗

arXiv:2606.12828v1 Announce Type: new Abstract: Do research topics in artificial intelligence grow gradually, or do they advance through abrupt, detectable jumps? Analyzing 80,814 accepted main-track papers from five premier AI conferences (ACL, CVPR, ICLR, ICML, NeurIPS) spanning 2017 to 2025, we show major AI topics advance through topical phase transitions: remaining marginal for years, then surging across venues within one to three years. Large language models became the dominant cross-venue topic by 2025, diffusion models rose with comparable abruptness, and language-model methods crossed into computer vision via vision-language models, whereas reinforcement learning compounded smoothly, distinguishing genuine phase transitions from ordinary growth. This structure is our primary contribution: a large-scale, cross-venue characterization of how AI research reorganizes. We then ask whether a transition leaves a detectable footprint before it peaks. We define an early-warning signature, four publication-dynamics criteria frozen on 2017-2021 data, and evaluate it out of sample on 2023-2025 transitions, obtaining a precision of 27% and recall of 63% against a 13.5% base rate. Applied to 2025 data, the signature flags reasoning and test-time compute, agentic AI, multimodal LLMs, retrieval-augmented generation, and world models as topics to monitor over 2026-2028. The source code is also publicly available on GitHub at https://github.com/KurbanIntelligenceLab/ai-phase-transitions.

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

Current World Models Lack a Persistent State Core

作者:
Jinpeng Lu↗Dexu Zhu↗Haoyuan Shi↗Linghan Cai↗Guo Tang↗Yinda Chen↗Jie Cao↗Duyu Tang↗Yi Zhang↗Yong Dai↗Xiaozhu Ju↗

World models are increasingly regarded as a decisive step toward artificial general intelligence, yet modeling the physical world demands more than rendering convincing frames on demand: it requires an internal world state that keeps evolving over time, decoupled from observation, so that objects endure and events run to their conclusions whether or not a camera is watching, much as the moon holds to its orbit when no one is looking. This requirement is a blind spot of existing benchmarks, which reward surface properties such as fidelity, motion, and camera controllability while never asking whether a generated world keeps evolving once it is unobserved. We introduce WRBench, the first systematic diagnostic benchmark that treats camera motion as an intervention on observability and resolves evaluation into a human-calibrated chain that asks whether the camera executes the requested interaction, whether the scene stays continuous and identifiable while in view, and whether a returning target remains consistent with the event that was set in motion. Across 9{,}600 videos from 23 models spanning four control paradigms, one finding proves stubborn: current systems maintain the observed world as a tracking shot, resuming a returning target in the state at which it was abandoned rather than advancing the event while it went unseen. Because this failure recurs across control paradigms, model families, and increments of scale, robust world-state evolution does not follow from cleaner imagery, tighter control, richer geometric priors, or sheer parameter count We therefore argue that the stability of the physical state kernel and the consistency of worldlines under viewpoint intervention should become first-class objectives of world-model design, so that a world model captures how the world will unfold rather than how the next frame appears.

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13.
arXiv (CS.AI) 2026-06-18

Scalable Batch Bayesian Optimization Via Subspace Acquisition Functions

作者:
Dawei Zhan↗Zhaoxi Zeng↗Shuoxiao Wei↗Ping Wu↗

arXiv:2411.16206v3 Announce Type: replace-cross Abstract: Extending Bayesian optimization to batch evaluation can enable the designer to make the most use of parallel computing technology. However, most of current batch approaches do not scale well with the batch size. That is, their optimization efficiencies often deteriorate as the batch size increases. To address this issue, we propose a simple and efficient approach to extend Bayesian optimization to large-scale batch evaluation in this work. Different from existing batch approaches, the idea of the new approach is to draw a batch of axis-aligned subspaces of the original problem and select one point from each subspace using existing acquisition functions. Numerical experiments show that our proposed approach speedups the convergence significantly when compared with the sequential Bayesian optimization algorithm, and performs very competitively when compared with ten batch Bayesian optimization algorithms. The implementation of our proposed approach is available at https://github.com/zhandawei/SubSpace_Acquisition_Functions.

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14.
arXiv (quant-ph) 2026-06-11

Global vs. Local Discrimination of Locally Implementable Multipartite Unitaries

作者:
Satyaki Manna↗Sneha Suresh↗Anandamay Das Bhowmik↗Debashis Saha↗

arXiv:2509.10430v2 Announce Type: replace Abstract: We study single-shot distinguishability of locally implementable multipartite unitaries under Local Operations and Classical Communication (LOCC) and global operations. As unitary discrimination depends on both the choice of probing states and the measurements on the evolved states, we classify LOCC and global distinguishability into two categories: adaptive strategies, where probing states are chosen based on measurement outcomes from other subsystems, and restricted strategies, where probing states remain fixed. Our findings uncover three surprising features in the bipartite setting and establish new structural limits for unitary discrimination: (i) Certain pairs of unitaries are globally distinguishable with restricted strategies but indistinguishable under LOCC, even with adaptive strategies. (ii) There exist sets of four unitaries that are distinguishable via LOCC, yet remain globally indistinguishable with restricted strategies. (iii) Some sets of unitaries are globally indistinguishable under adaptive strategies, when probed with separable states, but become distinguishable via LOCC.

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15.
arXiv (CS.CL) 2026-06-19

What Makes Effective Supervision in Latent Chain-of-Thought: An Information-Theoretic Analysis

作者:
Xinghao Chen↗Chak Tou Leong↗Wenjin Guo↗Jian Wang↗Wenjie Li↗Xiaoyu Shen↗

Latent Chain-of-Thought (CoT) internalizes reasoning within continuous hidden states, offering a promising alternative to verbose discrete reasoning traces. However, robust latent reasoning remains difficult because outcome supervision provides weak learning signals and leaves latent trajectories prone to semantic drift. In this work, we analyze Latent CoT from an information-theoretic perspective and identify this failure as a dual collapse: gradient attenuation along the optimization path and representational drift in the latent space. We further decompose process supervision into two complementary dimensions: Trajectory Supervision, which injects dense stepwise reasoning signals, and Space Supervision, which preserves the semantic structure of the latent manifold. Our analysis shows that rigid geometric compression can collapse the reasoning space, whereas generative reconstruction provides a more flexible semantic anchor that better preserves information capacity. To measure these effects, we introduce the Unified Latent Probe (ULP), which quantifies the mutual information between latent trajectories and explicit reasoning steps. Experiments reveal a clear Information-Performance Binding: reasoning accuracy depends on the information fidelity preserved in the latent chain. These findings provide a principled framework for latent reasoning supervision and suggest shifting from geometric imitation toward mutual information maximization. Our code is available at \href{https://github.com/EIT-NLP/Supervision-in-Latent-CoT}{this repository}.

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16.
arXiv (CS.CL) 2026-06-18

Freeing the Law with LOCUS: A Local Ordinance Corpus for the United States

作者:
Denis Peskoff↗Joe Barrow↗Christopher Vu↗Diag Davenport↗

Progress in legal AI increasingly depends on access to authoritative legal text at scale. Yet one of the most consequential layers of American law remains largely absent from existing machine-readable corpora: local ordinances. Local codes govern zoning, housing, business licensing, public health, noise, animal control, and many other domains of everyday regulation, but they are fragmented across vendor platforms designed for human browsing rather than bulk research access. We introduce LOCUS - the Local Ordinance Corpus for the United States - a comprehensive corpus and county-harmonized access layer for U.S. municipal and county ordinance codes. The raw corpus, available for release to researchers, represents nearly all publicly available municipal and county ordinance codes. The resulting raw corpus contains codes from 9,239 cities and counties. A smaller county-harmonized LOCUS access layer provides coverage for the largest 2,309 of 3,144 U.S. counties, accounting for a majority of the population. We use OCR to handle the myriad of document formats that have kept the law from being a public resource. We release the corpus with coverage metadata to support reproducibility, downstream legal AI research, and the incremental expansion of machine-readable access to local law. We train a collection of ModernBERT-based classifiers and scorers to facilitate analyzing U.S. local law among several dimensions, such as opacity and paternalism, that have not previously been studied at this scale. LOCUS-v1 and its derivative models are available at: https://huggingface.co/datasets/LocalLaws/LOCUS-v1

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17.
bioRxiv (Bioinfo) 2026-06-14

Virtual phenotypic screening discovers novel scaffolds inhibiting the PI3K/mTOR pathway

作者:
Wu↗A. P↗Yao↗Hoeckendorf↗Gaskins↗Kosaisawe↗Lu↗Hanslovsky↗Mayba↗Skelton↗Scalia↗Moffat↗…

Phenotypic drug discovery has yielded many first-in-class small-molecule drugs by discovering modulators of disease phenotypes in physiologically relevant cellular systems. However, high-content phenotypic assays lack the ultra-high-throughput scalability of target-based screens. Recent advances in virtual screening present an opportunity to address this bottleneck, but have been limited to simple phenotypes like viability, restricted to small repurposing libraries, or lack in-depth biological validation. Here, we present PhenoCompass, a multimodal co-embedding model that aligns compound structures and high-content phenotypic imaging to enable virtual phenotypic screening over billion-compound libraries. Following training on the Joint Undertaking in Morphology dataset with more than 100,000 Cell Painting compound profiles, retrospective validation with historical biochemical high-throughput screening data demonstrates that PhenoCompass ranks compounds according to their biochemical target engagement. Leveraging PhenoCompass, we performed a prospective screen of 3.8 billion Enamine REAL compounds for inhibitors of PI3K/mTOR pathway, a critical signaling cascade whose aberrant activation is a common tumor driver. This search identified 11 novel compounds with pathway-consistent Cell Painting readout and diverse scaffolds, a 54-fold enrichment over the training set. Orthogonal validation experiments using a FOXO3A reporter assay and direct kinase inhibition confirmed seven structurally novel inhibitors with distinct mechanisms of action. These results highlight the convergence of diverse molecular target profiles onto a shared morphological pathway signature and establish PhenoCompass as a robust framework for high-content phenotypic virtual screening.

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18.
arXiv (CS.CL) 2026-06-12

Rigel: Reverse-Engineering the Metal 4.1 Tensor Compute Path on the Apple M4 Max GPU

作者:
Ramchand Kumaresan↗

Apple's Metal 4.1 exposes a tensor compute path: the Metal Performance Primitives (MPP) matmul2d operation over cooperative_tensor fragments, whose interface is documented but whose hardware behavior is deliberately hidden. The specification states which data-type rows are supported, never whether they are hardware-accelerated, where the operation physically executes, what its accumulator width is, or how it partitions matrix fragments across threads. We present Rigel, an empirical characterization of this path on a single Apple M4 Max (a pre-neural-accelerator generation). Using a checksum-gated, provenance-tracked microbenchmark harness, Rigel recovers eleven facts the v4.1 specification hides or contradicts. The headline finding: the Metal 4.1 fp8 (E4M3) matmul2d is emulated, not accelerated: it sustains 0.94x the throughput of fp16 despite reading half the operand bytes, so on M4 it is a memory-footprint feature, not a performance feature. We further show, via a three-signal triangulation (throughput ceiling, comparison against simdgroup_matrix, and per-rail power attribution), that matmul2d executes entirely on the GPU shader cores with no dedicated matrix datapath and no evidence of Apple Neural Engine routing; that it accumulates in >=fp32; and we reconstruct the opaque 8x8 cooperative_tensor fragment layout Apple documents nowhere. Acting on the characterization, a hand-fused GEMM + bias + GELU kernel beats the decomposed path by +6.5-12.9% in the cache-resident regime. All findings are reproducible from committed MIT-licensed code and per-cell CSVs.

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19.
bioRxiv (Bioinfo) 2026-06-17

Posterior-calibrated multimodal motor states reveal longitudinal and imaging-associated heterogeneity in Parkinson's disease

作者:
Tirhekar↗H. M↗Yadav↗Bajaj↗C. l↗

Parkinson's disease (PD) motor heterogeneity is commonly summarized by hard subtype labels, although clinical states vary longitudinally, severity can dominate unsupervised structure, and model uncertainty is rarely calibrated. We developed a posterior and refit-stability calibrated multimodal motor state framework that assigns probabilistic MDS-UPDRS-III motor states, aggregates them at the patient level, separates global burden from residual tremor-axial profile, and tests whether imaging can recover the resulting posterior distribution. In 29,366 aligned PPMI motor-posterior visits spanning 4,773 participant identifiers, patient-level state families were stable on average (modal-family fraction 0.925; 95% CI 0.921 - 0.930), but 25.5% of patients transitioned state over follow-up (95% CI 24.1 - 26.7%). PD-only cohort definitions produced smaller denominators and are reported as sensitivity cohorts with rerun calibration and imaging-posterior checks. Severity and covariates explained substantial motor-domain variance, especially bradykinesia (rsecond=0.850), but residual profile modeling retained five active components across total-severity, principal-component, leave-one-domain, non-target-burden, and clinical-only severity axes. Refit-stability calibration with 250 patient-blocked bootstrap refits showed high nominal posterior confidence (0.989) but lower empirical label consistency (0.849), quantifying overconfidence rather than hiding it. Patient-held-out temporal modeling predicted future axial burden (best XGBoost rsecond=0.605) and future state transition (XGBoost AUC=0.830; 95% CI 0.822 - 0.837). DaTSCAN plus FreeSurfer ROI features predicted patient-level soft motor posterior vectors (RF jsd=0.209; 95% CI 0.199 - 0.220; macro-AUROC=0.692), while severity/demographic-adjusted imaging features further improved soft posterior recovery (jsd=0.188). BioFIND transfer reproduced clinically meaningful endpoint gradients after state assignment in 225 external patients, supporting external face validity rather than definitive transportability. These results support PD motor phenotypic states as calibrated, dynamic, clinically interpretable profiles with convergent imaging associations, not as definitive biological subtypes.

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

Diffusion Flow Matching: Dimension-Improved KL Bounds and Wasserstein Guarantees

作者:
Marta Gentiloni Silveri↗Giovanni Conforti↗Alain Durmus↗

arXiv:2606.16610v1 Announce Type: cross Abstract: Diffusion Flow Matching (DFM) has recently emerged as a versatile framework for generative modeling, yet its theoretical convergence properties remain only partially understood. In this work, we provide refined and novel convergence guarantees for Brownian motion based DFMs, focusing on the discretization error. Our analysis is conducted under the Kullback-Leibler (KL) divergence and the 2-Wasserstein distance. Under finite-moment conditions and a mild score integrability assumption, we derive KL convergence bounds with improved dimensional dependence compared to prior work, achieving, up to our knowledge, state-of-the-art scaling under minimal conditions. We further extend the analysis to the 2-Wasserstein distance: under an additional first-order score integrability assumption and a weak log-concavity condition, we obtain convergence guarantees with dimensional dependence consistent with the KL case.

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21.
arXiv (CS.LG) 2026-06-16

MolE-RAG: Molecular Structure-Enhanced Retrieval-Augmented Generation for Chemistry

作者:
Joey Chan↗Wonbin Kweon↗Ashley Shin↗Niharika Bhattacharjee↗Pengcheng Jiang↗Yue Guo↗Jiawei Han↗

arXiv:2606.05693v2 Announce Type: replace Abstract: Large language models (LLMs) have shown promise for molecular property prediction, but their ability to reason over chemical structures remains limited, as molecular representations such as SMILES differ substantially from the natural language on which LLMs are primarily trained. To bridge this semantic and chemical knowledge gap, we propose MolE-RAG, a training-free, molecule-centric retrieval-augmented generation framework for LLM-based molecular property prediction. MolE-RAG augments each prediction with three complementary sources of inference-time context: retrieved chemistry literature, molecule-specific information including compound synonyms, identifiers, functional group annotations, and physicochemical descriptors, and structurally similar molecules retrieved from the training set. We evaluate MolE-RAG across nine molecular property prediction tasks using proprietary, chemistry-specialized, and open-source LLMs. Across general-purpose LLMs, MolE-RAG improves ROC-AUC by up to 28 percentage points on classification tasks and reduces regression RMSE by up to 67% relative to a SMILES-only baseline. We further find that the utility of each context source varies across models and tasks, with different models benefiting most from textual retrieval, molecular context, or structural retrieval. These results suggest that molecule-centric retrieval can improve LLM-based molecular property prediction without model fine-tuning while providing a flexible framework for integrating heterogeneous chemical knowledge at inference time.

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22.
arXiv (CS.AI) 2026-06-11

Robust Privacy: Inference-Stage Privacy through Certified Robustness

作者:
Jiankai Jin↗Xiangzheng Zhang↗Zhao Liu↗Wenzhuo Xu↗Dongdong Yang↗Deyue Zhang↗Quanchen Zou↗

arXiv:2601.17360v2 Announce Type: replace-cross Abstract: An adversary observing a model's released prediction can infer sensitive attributes of the queried input, or even reconstruct representatives of the model's training data. The inference interface thus acts as a side channel for privacy leakage. We introduce Robust Privacy (RP), an inference-stage privacy notion inspired by certified robustness: if a model's prediction is provably invariant within a radius-R neighborhood around an input x with confidence at least $1-\alpha$, then x enjoys $(R,\alpha)$-Robust Privacy, under which we prove that any adversary observing the released prediction has at most $\alpha/2$ advantage in distinguishing x from any input within distance R of x. Building on RP, we formalize Robust Attribute Privacy (RAP), an attribute-level privacy notion that characterizes the set of sensitive-attribute values that remain compatible with a released prediction. On a classification task, RP increases the median length of the RAP-compatible inference interval from 23.50 to 29.96, reducing attribute-inference precision. Model inversion attacks, often treated as a training-stage threat, in fact rely on fine-grained signals leaked through the inference interface; RP masks these signals at the inference stage, reducing attack success rate (ASR) from 73% to 4% on a black-box inversion attack. This direct targeting of the leakage channel enables RP to dominate DP-SGD and randomized response in the privacy-utility tradeoff space: RP retains 98.4% accuracy at 21% ASR, whereas DP-SGD must drop accuracy to 61.7% to reach a comparable ASR. Across both experiments, increasing the smoothing sample size N strengthens privacy and improves utility together. Finally, we examine model distillation as a scope boundary and show that RP mitigates attribute-level and instance-level inference-stage privacy leakage, but not function-level extraction through model distillation.

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23.
arXiv (CS.CV) 2026-06-12

SPARC: Reliable Spatial Annotations from Robot Demonstrations at Scale

作者:
Nils Blank↗Paul Mattes↗Maximilian Xiling Li↗Jakub Suliga↗Thomas Roth↗Moritz Reuss↗Pankhuri Vanjani↗Rudolf Lioutikov↗

This work introduces Spatial Annotations from Robot Demonstrations with Reliability Calibration (SPARC), a risk-aware framework that automatically labels robot demonstrations with structured spatial annotations and assigns each annotation a reliability score. Structured spatial annotations, such as bounding boxes, object trajectories, and manipulation phase labels, benefit a broad range of robotics applications from training grounded robot policies and embodied foundation models to motion planning and hierarchical task composition. Existing automated pipelines generate such annotations at scale but provide no reliable quality signal: detector confidence is poorly calibrated for annotation correctness, forcing a choice between accepting noisy labels or discarding useful samples. In contrast to existing automated pipelines, SPARC leverages the spatio-temporal structure inherent to robot tasks to generate a reliability signal, reducing noisy labels and retaining more useful samples. We further introduce Interaction-Aware Bench (IA-Bench), a benchmark that measures model accuracy in grounding the locations of interacted objects in robot demonstrations. On 1.7k human-annotated demonstrations spanning diverse embodiments and scenarios, SPARC significantly outperforms detection-only baselines in localization accuracy while retaining three times more samples at high-precision operating points. Our experiments demonstrate that models finetuned on our annotations achieve state-of-the-art results on object-grounding and pointing benchmarks among similarly sized models, while remaining competitive on broader spatial-reasoning suites without manually verified or annotated training data. Furthermore, policies trained on SPARC-generated annotations outperform baselines in cluttered, visually ambiguous real-world scenes. Code, data, and models are available at intuitive-robots.github.io/sparc-labeling.

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24.
arXiv (CS.CL) 2026-06-16

Agentic Reinforcement Learning for Search Misaligns Instruction-Tuning

作者:
Yushi Yang↗Shreyansh Padarha↗Sarah Ball↗Andrew Lee↗Adam Mahdi↗

Agentic reinforcement learning (RL) trains large language models to use tools, but its impact on alignment is poorly understood. We study how agentic RL for search affects the alignment of instruction-tuned (IT) models. We find that RL-trained models inherit refusal reasoning by deflecting harmful requests into benign search queries, but this breaks down under a simple diagnostic trigger that elicits a search call before refusal can occur. Under this condition, RL models produce multi-step unsafe search actions and reasoning, reducing search query safety by up to 68.6% in Qwen and Llama models relative to their IT counterparts. The effect generalises across model families, scales, and RL algorithms. To understand why, we identify linear directions in the residual stream that control search query safety, and show that RL training progressively shifts search behaviour toward the harmful end of this direction. We thus propose representation-guided RL training, which adds a reward penalty based on projection toward the harmful search direction. Training on benign data alone, it restores IT-level alignment without reducing task accuracy and requires no additional training data. Together, our work provides the first framework for diagnosing, mechanistically analysing, and mitigating alignment degradation in agentic RL for search.

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25.
arXiv (CS.CV) 2026-06-12

Magnifying What Matters: Attention-Guided Adaptive Rendering for Visual Text Comprehension

作者:
Shenglai Zeng↗Qirui Wang↗Kai Guo↗Xinnan Dai↗Xianxuan Long↗Hui Liu↗

Visual Text Comprehension (VTC) renders text into images for a vision-language model (VLM) to read, sidestepping LLM context-window limits and powering applications from long-page OCR to multi-page memory QA. Yet existing VTC pipelines treat rendering and layout as a fixed, content-agnostic preprocessing step and offer little mechanistic understanding of how VLMs internally process visualized text. Through a focused empirical study on VTC QA tasks, we reveal that VLMs exhibit a localization-without-utilization regime: evidence-localizing attention emerges sharply in the middle-to-late layers and is largely decoupled from answer correctness, yet simply enlarging the localized spans on the rendered page recovers a large fraction of the failures. Building on these observations, we propose AGAR (Attention-Guided Adaptive Rendering), a training-free, model-agnostic method that leverages a VLM's own middle-to-late layer attention to identify the top-K important visual patches, maps them back to word spans, and re-renders the page with those spans enlarged before re-inferring the answer. Extensive experiments across nine VTC benchmarks (short-form, long-context, and multi-page memory QA) and four VLM backbones show that AGAR (i)consistently improves off-the-shelf VLMs as a plug-and-play enhancement, (ii)composes with VLM post-training to yield further gains, and (iii)remains robust under both visual- and text-side input degradation.

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