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01.

arXiv (CS.CV) 2026-06-17 DOI: arXiv:2404.09790

NTIRE 2024 Challenge on Image Super-Resolution (x4): Methods and Results

作者:

Zheng Chen↗Zongwei Wu↗Eduard Zamfir↗Kai Zhang↗Yulun Zhang↗Radu Timofte↗Xiaokang Yang↗Hongyuan Yu↗Cheng Wan↗Yuxin Hong↗Zhijuan Huang↗Yajun Zou↗…

This paper reviews the NTIRE 2024 challenge on image super-resolution ($\times$4), highlighting the solutions proposed and the outcomes obtained. The challenge involves generating corresponding high-resolution (HR) images, magnified by a factor of four, from low-resolution (LR) inputs using prior information. The LR images originate from bicubic downsampling degradation. The aim of the challenge is to obtain designs/solutions with the most advanced SR performance, with no constraints on computational resources (e.g., model size and FLOPs) or training data. The track of this challenge assesses performance with the PSNR metric on the DIV2K testing dataset. The competition attracted 199 registrants, with 20 teams submitting valid entries. This collective endeavour not only pushes the boundaries of performance in single-image SR but also offers a comprehensive overview of current trends in this field.

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02.

arXiv (CS.CL) 2026-06-24 DOI: arXiv:2606.23989

Faithful by Construction: Claim-Anchored Attribution for Multi-Document Summarization

作者:

Shuo Guan↗

End-to-end large language models (LLMs) produce fluent multi-document summaries but remain prone to hallucination, and the attributions they offer are typically coarse (whole documents or passages) and generated post hoc, leaving each summary statement hard to verify. We revisit the modular Extract–Select–Rewrite paradigm and recast its intermediate representation as the unit of attribution. We present CAMS, a Claim-Anchored Multi-document Summarization framework that (i) extracts atomic claims with token-level provenance from every source document, (ii) clusters equivalent claims across documents while flagging inter-source conflicts, (iii) selects a support-aware and salient subset, and (iv) rewrites the selection into a summary in which every sentence is anchored to a support-checked claim that links back to one or more source spans. Because content is localized before it is realized, the pipeline is attribution-oriented by construction and faithfulness-oriented by construction: it structurally preserves fine-grained, multi-source traceability while using support-aware selection, constrained rewriting, and verification to encourage, rather than guarantee, factual faithfulness. We evaluate quality, faithfulness, and localization on MultiNews, analyze conflict handling on DiverseSumm, and test zero-shot transfer on WCEP, using a two-regime protocol that separates reference-free citation quality from gold-aligned localization accuracy, and we add an evaluator-decoupled audit that tests citation precision with a support model never used for selection or verification. CAMS matches strong end-to-end and span-attribution baselines on summary quality while substantially improving faithfulness and citation precision, lifting multi-source attribution accuracy by roughly two-thirds, and exposing a controllable faithfulness–coverage trade-off that end-to-end models leave implicit.

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03.

arXiv (quant-ph) 2026-06-19 DOI: arXiv:2606.20519

GPU-accelerated semidefinite programming for causal games

作者:

Emanuel-Cristian Boghiu↗Kyrylo Simonov↗

arXiv:2606.20519v1 Announce Type: new Abstract: The process matrix formalism describes quantum correlations in scenarios without a fixed causal order between local laboratories. Operational signatures of such correlations can be investigated through causal games. A paradigmatic example is the Guess-Your-Neighbour's-Input game, in which two parties attempt to guess each other's inputs. Correlations compatible with any definite, or probabilistically mixed, causal order cannot achieve a winning probability exceeding $1/2$. The best process-matrix strategy currently known attains a value of approximately $0.6218$ using local dimension $d=5$, while the strongest known dimension-independent upper bound is $0.7592$. In this work, we investigate whether increasing the local dimension beyond $d = 5$ can narrow this gap. To this end, we employ a see-saw optimization scheme in which each step is formulated as a semidefinite program. For scalability, we develop a custom implementation of the SCS solver in which the dominant computational cost, the projection onto the positive-semidefinite cone, is offloaded to a GPU, yielding a six-fold speedup. Using this implementation, we explore local dimensions up to $d = 8$, and we do not find significant improvements over the value at $d=5$. Our results suggest that either qualitatively different strategies are required to approach the known upper bound, or that the bound itself is not tight.

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04.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2606.17197

Cluster-Aware Dual-Level Test Specification Generation for Large-Scale Automotive Software Requirements

作者:

Hazem Ayman↗Menna Sedik↗Kareem Mostafa↗Mahmoud Soliman↗Samer Saber↗Ibrahim Habib↗

arXiv:2606.17197v1 Announce Type: cross Abstract: Generating test specifications that satisfy Automotive SPICE SWE.6 requirements becomes increasingly challenging and time-consuming as projects scale to thousands of requirements. Because this manual process often consumes weeks of engineering effort, automation becomes a critical necessity. However, standard Large Language Model (LLM) approaches struggle at scale: processing requirements individually discards vital inter-requirement dependencies, while feeding entire corpora at once exceeds context-window limits, leading to incomplete integration coverage and redundant test cases. This paper presents a novel "Cluster-then-Summarize" pipeline that addresses these limitations through three-stages. Requirements are embedded using sentence transformers and grouped using UMAP dimensionality reduction followed by HDBSCAN density-based clustering. This grouping utilizes an automatic minimum cluster size selection driven by a quality criterion combining normalized Silhouette and Calinski-Harabasz scores. A multi-level map-reduce summarization algorithm then distills each cluster into concise, domain-conformant descriptions while preserving quantitative thresholds and safety integrity levels. The pipeline exploits the derived cluster topology to generate test specifications at two levels: individual requirement verification and cluster-level integration tests that verify cross-requirement feature behavior. A nearby-cluster context mechanism provides bounded cross-feature awareness during each LLM call, and Retrieval-Augmented Generation grounds all outputs in ISO 26262 and ASPICE standards. Evaluation on automotive requirement datasets of varying scale demonstrates that the cluster-aware approach improves integration test coverage and maintains summarization fidelity compared to baseline methods while scaling efficiently to thousands of requirements.

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05.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2606.17110

Loss Landscape Poisoning: Targeted Extraction of Unseen Training Data from LLMs

作者:

Md Abdullah Al Mamun↗Ngoc Phu Doan↗Pedram Zaree↗Ihsen Alouani↗Nael Abu-Ghazaleh↗

arXiv:2606.17110v1 Announce Type: cross Abstract: Large Language Models are increasingly trained on proprietary or sensitive data, from private healthcare and financial records to user conversations containing secrets. Ensuring the privacy of such data against extraction attacks has become a central concern. In this paper, we ask whether an attacker who can poison a portion of the training data can facilitate the leakage of a separate target record they have no access to. We answer in the affirmative and show that such leakage can be induced by a poisoning mechanism that reshapes the model's local loss landscape around the target completion. Our key insight is that poisoning to create a sharp loss minimum at the target, surrounded by elevated loss on nearby alternatives, forces the model to memorize the target as the unique low-loss solution in its neighborhood. The attack requires no architectural changes, and generalizes across centralized and federated learning settings. We demonstrate that the attack amplifies privacy leakage across language (up to 100% successful extraction), and vision-language models (up 90% successful extraction). We show that the attack is thwarted when the model is trained to be differentially private. However, we introduce a new attack that directly probes the loss landscape bypassing even differential privacy defenses.

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06.

arXiv (CS.CV) 2026-06-25 DOI: arXiv:2604.10702

Backbone-Conditional Behavior of Modality Gating in Multi-Modal Prostate MRI Segmentation: A 5-Fold Cross-Validation and Gate Mechanism Analysis

作者:

Yongbo Shu↗Wenzhao Xie↗Shanhu Yao↗Zirui Xin↗Luo Lei↗Kewen Chen↗Aijing Luo↗

Robust segmentation of clinically significant prostate cancer (csPCa) on multi-parametric MRI must tolerate frequent degradation of its most informative diffusion sequences. Multi-modal fusion commonly employs learned modality gating under the assumption that gates implement per-sample modality quality routing – rarely tested directly. We ask how gating behaves across backbone architectures. We systematically analyze modality-isolated gated fusion (MIGF) for csPCa segmentation on two backbones (nnU-Net and Mamba) using PI-CAI (n=1500), with cross-cohort validation on Prostate158 (n=158): a factorial ablation over gating, modality dropout, and deep supervision under 5-fold cross-validation (180 trained models), plus a gate-weight and counterfactual analysis of 30 trained gating models. Modality gating is backbone-conditional. On nnU-Net, adding gating reduces the ranking score (marginal effect -0.037; gating configurations p

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07.

Nature (Science) 2026-06-17 DOI: HASH:821b6ad14fcfc4e8112f1e67762670a6

Molecular basis of polyadenylated RNA fate determination in the nucleus

作者:

Andrii Bugai↗

Eukaryotic genomes generate a plethora of polyadenylated (pA+) RNAs1,2, which are packaged into ribonucleoprotein particles (RNPs). To ensure faithful gene expression, functional pA+ RNPs, including protein-coding RNPs, are exported to the cytoplasm, whereas transcripts within non-functional pA+ RNPs are degraded in the nucleus1–4. How cells distinguish these opposing fates remains unknown. The DExD-box ATPase UAP56 (also known as DDX39B) is a central component of functional pA+ RNPs, and promotes their docking to the nuclear pore complex-anchored TREX-25,6, which triggers transcript release from UAP56 to facilitate export7. Here we reveal that the poly(A) tail exosome targeting (PAXT) connection8 binds a TREX-2-like module, which releases pA+ RNAs from UAP56 for decay by the nuclear exosome. The core of this module consists of a LENG8–PCID2–SEM1 trimer, which we show is structurally and biochemically equivalent to the central GANP–PCID2–SEM1 trimer of TREX-2. Mutagenesis and transcriptomic data demonstrate that the nuclear fate of pA+ RNPs is governed by the contending actions of nucleoplasmic PAXT and nuclear pore complex-associated TREX-2, which interpret RNA-bound UAP56 as a signal for RNA decay or export, respectively. As RNA targets of PAXT are generally short and intron-poor, we propose an overall model for pA+ RNP fate determination whereby the distinct sub-nuclear localizations of PAXT and TREX-2 govern the degradation of short non-functional pA+ RNAs while allowing export of their longer and functional counterparts. Biochemical, structural and cell biological analyses reveal that UAP56 (DDX39B) assembles with a TREX-2–like module that redirects non-functional polyadenylated RNAs from export to degradation.

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08.

arXiv (CS.LG) 2026-06-25 DOI: arXiv:2606.24980

Closed-Loop Graph Algorithm Execution with Small Language Models: Step Accuracy and Rollout Reliability

作者:

Michal Podstawski↗

arXiv:2606.24980v1 Announce Type: new Abstract: Small language models offer an efficient alternative to large-scale systems, but their ability to execute structured algorithms over multiple dependent decisions remains poorly understood. We study graph algorithm execution as a closed-loop prediction problem in which a model repeatedly selects the next action from the current graph and algorithmic state. Our evaluation framework covers several classical graph procedures, multiple synthetic graph families, and disjoint training, validation, and test partitions. It assesses both local decision quality and global execution behaviour using step accuracy, exact rollout accuracy, constraint validity, partial solution quality, prefix survival, and intervention-based diagnostics. The results show that adaptation can produce reliable policies for structural procedures such as traversal and coloring, while weighted algorithms remain substantially more sensitive to error accumulation. More broadly, the findings demonstrate that strong next-step prediction does not necessarily translate into reliable autonomous execution and motivate evaluating algorithmic language models through complete closed-loop rollouts rather than isolated decisions.

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09.

arXiv (CS.LG) 2026-06-11 DOI: arXiv:2606.12211

Quantum Occam Learning: Sample-Supported Expressibility for Circuit-Based Quantum Learning

作者:

Jeongho Bang↗Kyoungho Cho↗Jeongwoo Jae↗

arXiv:2606.12211v1 Announce Type: cross Abstract: A central principle in quantum machine learning is that an ansatz should be expressive enough to represent the quantum data of interest. Yet, the expressibility is statistically meaningful only insofar as it can be learned from finitely many copies of an unknown quantum state. In this work, we develop an information-theoretic Occam theory for quantum data generated by finite-size quantum circuits. For the class $S_{n,G}$ of $n$-qubit pure states preparable with at most $G$ two-qubit gates, a metric-entropy argument gives the realizable sample law $\widetilde{\Theta}(G/\epsilon^2)$ in the circuit-limited regime. For an arbitrary source $\hat{\rho}$, we introduce the best $G$-gate approximation error $d_G(\hat{\rho})$ and the approximate circuit complexity $C_\eta(\hat{\rho})$. We prove an agnostic quantum Occam theorem: with $M$ copies, one can learn up to the best $G$-gate approximation error plus a statistical penalty $\widetilde{O}(\sqrt{G/M})$. We then remove the need to know $G$ in advance through an adaptive model-selection theorem whose oracle inequality selects the circuit complexity justified by the data. Matching lower bounds yield a sample-supported expressibility law: at trace-distance accuracy $\epsilon$, $M$ samples can support only $G_supported \simeq M\epsilon^2$ gates, up to logarithmic factors and tomography saturation at $2^n$. Thus, the circuit complexity becomes an adaptive statistical resource rather than a static promise. Our framework turns bounded circuit complexity into a model-selection principle for quantum machine learning.

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10.

arXiv (CS.AI) 2026-06-25 DOI: arXiv:2511.08659

Introduction to Automated Negotiation

作者:

Dave de Jonge↗

arXiv:2511.08659v4 Announce Type: replace-cross Abstract: This book is an introductory textbook targeted towards computer science students who are completely new to the topic of automated negotiation. It does not require any prerequisite knowledge, except for elementary mathematics and basic programming skills. This book comes with an simple toy-world negotiation framework implemented in Python that can be used by the readers to implement their own negotiation algorithms and perform experiments with them. This framework is small and simple enough that any reader who does not like to work in Python should be able to re-implement it very quickly in any other programming language of their choice.

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11.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2503.05598

From Theory to Application: A Practical Introduction to Neural Operators in Scientific Computing

作者:

Prashant K. Jha↗

arXiv:2503.05598v2 Announce Type: replace-cross Abstract: This review examines neural operator architectures for learning solution operators of parametric partial differential equations (PDEs), with an emphasis on conceptual clarity and practical implementation. The work analyzes key models, including DeepONet, PCANet, and the Fourier Neural Operator, highlighting their underlying representations, computational structures, and comparative performance. These architectures are demonstrated on three canonical PDE problems: the Poisson equation, a linear elasticity problem, and a hyperelasticity problem. To make the presentation self-contained, key foundational topics are introduced, including finite-dimensional representations of function spaces, singular-value decomposition, and sampling from infinite-dimensional function spaces. Beyond forward modeling, the review discusses the use of neural operators as surrogate models within a Bayesian inverse-problem framework, including prior specification, forward-map approximation, and posterior computation. The performance of the three neural-operator architectures is evaluated on in-distribution samples, out-of-distribution samples, and Bayesian inference tasks. The review also discusses challenges related to prediction accuracy and generalization, outlining emerging strategies such as residual-based error correction and multi-level training. The review concludes by positioning neural operators within broader scientific-computing workflows and by identifying directions for reliable, scalable operator learning.

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12.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.15874

LLM-as-Code Agentic Programming for Agent Harness

作者:

Junjia Qi↗Zichuan Fu↗Jingtong Gao↗Wenlin Zhang↗Hanyu Yan↗Xian Wu↗Xiangyu Zhao↗

arXiv:2606.15874v1 Announce Type: new Abstract: Every major LLM agent framework gives the LLM the role of orchestrator; the model decides what to do next, when to call tools, and when to stop. We argue that token explosion, control-flow hallucination, and unreliable completion are not implementation bugs but architectural consequences of assigning the deterministic work of looping, branching, and sequencing to a probabilistic system. A better prompt or a stronger model cannot guarantee the reliability of the LLM agent. We therefore propose Agentic Programming, in which the program governs all control flow, and the LLM is itself part of it, an adaptive component we call LLM-as-Code and invoke only where a task calls for reasoning or generation. Within each call the model keeps full flexibility, but it cannot alter the program's execution path. With control in the program, the LLM's context is built from the execution history's call tree and forms a directed acyclic graph (DAG). Each call's context length is then determined by its call depth rather than by accumulation over steps. A case study of computer-use agents shows that the design is practical, not just a theoretical stance, substantially improving the stability of long visual operation sequences.

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13.

arXiv (CS.LG) 2026-06-12 DOI: arXiv:2601.22003

Efficient Stochastic Optimisation via Sequential Monte Carlo

作者:

James Cuin↗Davide Carbone↗Yanbo Tang↗O. Deniz Akyildiz↗

arXiv:2601.22003v2 Announce Type: replace-cross Abstract: The problem of optimising functions with intractable gradients frequently arises in machine learning and statistics, ranging from maximum marginal likelihood estimation procedures to fine-tuning of generative models. Stochastic approximation methods for this class of problems typically require inner sampling loops to obtain (biased) stochastic gradient estimates, which rapidly becomes computationally expensive. In this work, we develop sequential Monte Carlo (SMC) samplers for optimisation of functions with intractable gradients. Our approach replaces expensive inner sampling methods with efficient SMC approximations, which can result in significant computational gains. We establish convergence results for the basic recursions defined by our methodology which SMC samplers approximate. We demonstrate the effectiveness of our approach on the reward-tuning of energy-based models within various settings.

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14.

medRxiv (Medicine) 2026-06-22 DOI: HASH:9628054511753bba58a474a366585c57

Multi-omics data fusion reveals divergent molecular signatures of intra-articular micro-fragmented adipose tissue and hyaluronic acid treatment in inflammatory-phenotype knee osteoarthritis

作者:

Primorac↗Molnar↗Brlek↗Bulic↗Jelec↗Prosenc Zmrzljak↗Klaric↗Lauc↗Malod-Dognin↗Przulj↗

Knee osteoarthritis (KOA) affects an estimated 374 million people worldwide and has no approved disease-modifying treatment. Intra-articular micro-fragmented adipose tissue (MFAT) outperformed hyaluronic acid (HA) on patient-reported outcomes in our recent double-blind randomized trial (ISRCTN88966184), yet the molecular basis of this differential efficacy is unknown, and the two interventions have not previously been compared at the level of their in vivo molecular response in human KOA. Here we apply an interpretable artificial-intelligence data-fusion framework, based on non-negative matrix tri-factorization, to longitudinally collected plasma from this cohort, integrating proteomics, N-glycomics, miRNA transcriptomics and patient genetics with prior protein-protein and miRNA-gene regulatory networks at baseline, one and six months. The framework jointly decomposes all data modalities at each timepoint into shared, interpretable factors, from which we derive data-driven pathways of genes and of miRNAs and recover new patient-gene and patient-miRNA associations. These pathways were biologically coherent, showing significant enrichment in Gene Ontology Biological Process and Reactome Pathway annotations. By six months, the two treatments left clearly distinct molecular signatures: HA remained dominated by canonical OA pathogenic processes, including cartilage-degrading effectors such as MMP13 and LIMK2 and markers of synovial inflammation, whereas MFAT shifted the systemic landscape toward chondroprotection, anti-inflammatory signalling and bone-cartilage homeostasis, with prioritized effectors including SIRT7 and NDUFC1. To our knowledge, these are the first systems-level molecular data directly comparing the in vivo response to the two treatments in human KOA, providing initial evidence that MFAT acts as a disease-modifying intervention and demonstrating the value of interpretable data fusion for uncovering treatment mechanisms in small translational cohorts.

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15.

arXiv (CS.CV) 2026-06-11 DOI: arXiv:2512.16415

CountZES: Counting via Zero-Shot Exemplar Selection

作者:

Muhammad Ibraheem Siddiqui↗Muhammad Haris Khan↗

Object counting in complex scenes is particularly challenging in the zero-shot (ZS) setting, where instances of unseen categories are counted using only a class name. Existing ZS counting methods that infer exemplars from text often rely on off-the-shelf open-vocabulary detectors (OVDs), which in dense scenes suffer from semantic noise, appearance variability, and multi-instance proposals. Alternatively, random image-patch sampling is employed, which fails to accurately delineate object instances. Since counting is sensitive to exemplar quality, such selection strategies often yield poorly representative exemplars, leading to inaccurate count estimation. To address these issues, we propose CountZES, an inference-only approach for object counting via ZS exemplar selection. CountZES discovers diverse exemplars through three synergistic stages: Detection-Anchored Exemplar (DAE), Density-Guided Exemplar (DGE), and Feature-Consensus Exemplar (FCE). DAE refines OVD detections to isolate precise single-instance exemplars. DGE introduces a density-driven, self-supervised paradigm to identify statistically consistent and semantically compact exemplars, while FCE reinforces visual coherence through feature-space clustering. Together, these stages yield a complementary exemplar set that balances textual grounding, count consistency, and feature representativeness. Experiments on diverse datasets demonstrate CountZES superior performance among ZOC methods while generalizing effectively across domains.

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16.

arXiv (CS.LG) 2026-06-24 DOI: arXiv:2606.22775

Target-Aware Linear Regression Under Distribution Shift

作者:

Zhewen Hou↗Tian Zheng↗

arXiv:2606.22775v2 Announce Type: replace-cross Abstract: Distribution shift between training and deployment is a pervasive challenge for modern AI systems. In many cases, the target marginals of covariates and response are known or specified through population-level observations, boundary conditions, properties of simulator configurations, or alignment-time distributional constraints. Such knowledge may provide valuable side information for regression estimation. We study this problem in the multivariate linear regression setting with a stable conditional mean $E[Y\mid X]$ across source and target, and identify the hybrid-loss estimator, which jointly incorporates both target marginals, as a benchmark target-aware estimator. Its direct computation, however, requires solving a coupled nonlinear optimization that is expensive at scale. Our main contribution is to develop and evaluate two computationally tractable alternatives: a constrained moment-matching estimator and a two-stage estimator that augments ordinary least squares with a calibration step. For all three estimators, we derive and compare closed-form asymptotic mean squared errors, yielding conditions under which the tractable alternatives match or closely approximate the hybrid benchmark, and regimes in which they do not. Monte Carlo experiments across three controlled shift regimes validate the theoretical results, investigate the accuracy-runtime tradeoffs among the three estimators, and translate into guidance on estimator choice. In particular, the two-stage estimator nearly matches the hybrid benchmark in the high signal-to-noise regime at essentially no additional cost, providing theoretical grounding for empirical observations in nonlinear settings.

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17.

arXiv (quant-ph) 2026-06-16 DOI: arXiv:2606.15958

Quantum Measurement and Continuous Markov Processes

作者:

Chris Jackson↗

arXiv:2606.15958v1 Announce Type: new Abstract: These are the lecture notes for a course on diffusive quantum measuring instruments. They were prepared and delivered at the Perimeter Institute on Mondays and Thursdays, from 2:30 to 4:00 PM, beginning October 27th, 2025 and ending December 11th, 2025. These lectures were recorded and can be found at https://pirsa.org/c25038.

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18.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2606.17572

When Dynamics Models Read the Wrong Time Steps: Label-Free Event Credit Re-Anchoring for Robust Global Readouts

作者:

Yifan Wang↗

arXiv:2606.17572v1 Announce Type: new Abstract: Learned dynamics models often answer global physical questions, such as fault severity or impact stiffness, by pooling a per-step feature sequence into one readout vector. This sequence-to-global interface creates an under-studied temporal credit problem: with only trajectory-level supervision, a model can predict accurately in training conditions while reading from abundant smooth correlates rather than the brief physical events that determine the target. We call this failure temporal credit dilution. It is not exposed by the training loss and is not removed by standard physics-informed residuals, because the error lies in where the global readout assigns functional credit. We introduce Credit-in-Event, an interface-level probe for measuring how much pooled credit lands on event steps, and prove in closed form that a pooled linear reader routes credit to a spurious background channel as the event fraction shrinks. We then propose CREST, a training-free and label-free readout that estimates a transient event core from learned features and re-anchors the pooled representation through event-versus-rest contrast. Across simulated gear and impact systems, recurrent and attention encoders, and public bearing vibration data, CREST reduces out-of-distribution error while restoring event credit. Ablations show that stable-step selection and receptive-field shrinking fail, confirming that the gain comes from event-core credit re-anchoring rather than a generic locality or stability prior.

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19.

arXiv (CS.AI) 2026-06-15 DOI: arXiv:2606.14498

A Fixed-Point Neural Operator for Size- and Functional-Transferable Hamiltonian Prediction

作者:

Yunhong Lou↗Xihang Yue↗Xinran Wei↗Tianqi Deng↗Linchao Zhu↗

arXiv:2606.14498v1 Announce Type: cross Abstract: Predicting the Kohn-Sham Hamiltonian with machine learning can accelerate density functional theory while retaining access to molecular orbitals, energy levels, and electronic-structure observables that energy-only surrogates cannot resolve. Yet element-wise agreement with the converged Hamiltonian, an implicit fixed point of the self-consistent field iteration, does not determine the occupied subspace that governs orbital energies and densities. Here we present HamEvo, a neural operator that learns the single-step self-consistent update and returns the converged Hamiltonian as its fixed point. HamEvo is pre-trained on intermediate self-consistent trajectories and calibrated at equilibrium with density-matrix supervision. Across benchmarks from MD17 to drug-like QMugs, HamEvo lowers Hamiltonian errors by 35-49% over direct-regression and deep-equilibrium baselines, and predicts QMugs HOMO and LUMO energies with mean absolute errors of 0.036 and 0.053 eV, near the 1 kcal/mol chemical-accuracy scale. Few-shot fine-tuning with only 20 reference conformations extends HamEvo to molecules of up to 122 atoms, well beyond the size range covered by pre-training. With thermal molecular-dynamics sampling, HamEvo captures temperature-dependent HOMO-LUMO gap renormalization beyond the harmonic approximation. Inference is up to 242 times faster than conventional DFT.

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20.

medRxiv (Medicine) 2026-06-24 DOI: HASH:0e951018c0d0aab68b7e48a435f136d3

Development and Validation of Machine Learning Models for Predicting Initiation of Emergency Dialysis in Advanced Chronic Kidney Disease

作者:

Hirano↗Seki↗Watanabe↗Kubota↗Kawazoe↗

Background: Initiation of emergency dialysis, often requiring temporary catheter owing to unprepared definitive vascular access, is associated with infectious and vascular complications and suggests advanced chronic kidney disease (CKD) care gaps. Previous studies focused on kidney failure or dialysis timing. This study aimed to predict initiation of emergency dialysis using machine learning and baseline data. Methods: This retrospective cohort study used the Japan Medical Data Center claims data (2014-2022). Adults with an estimated glomerular filtration rate (eGFR)

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21.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.19868

A Systematic Evaluation of Black-Box Uncertainty Estimation Methods for Large Language Models

作者:

Jiayi Wang↗Xu-Yao Zhang↗

arXiv:2606.19868v1 Announce Type: new Abstract: Although large language models (LLMs) have shown strong capabilities across a wide range of tasks, their outputs often remain unreliable and may contain hallucinations, making uncertainty estimation (UE) essential for building trustworthy LLMs. In practice, many mainstream LLMs are only accessible through restricted APIs, where internal signals such as logits and hidden states are unavailable, making black-box UE especially important. However, existing work on black-box UE for LLMs remains fragmented in methodology and lacks a unified empirical comparison. To address this gap, we present a systematic review of black-box UE methods and organize them into five categories: verbalization-based, sampling-based, explanation-based, multi-agent, and hybrid methods. We further build a unified evaluation framework and benchmark 24 representative methods across 4 models and 4 dataset settings. Our results show that no single method consistently dominates across all settings. Nevertheless, methods that reason over and compare candidates in the answer space are generally effective, and hybrid methods that combine multiple uncertainty signals perform well under most conditions. By releasing the benchmark data and a unified evaluation framework, we aim to facilitate reproducible comparisons and support future research, while our empirical findings provide practical guidance for developing future black-box UE methods for LLMs.

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22.

arXiv (CS.CV) 2026-06-15 DOI: arXiv:2606.14701

RATS! Patches Talk Through Registers: Emergent Parts in Register Attention Transformers

作者:

Timing Yang↗Predrag Neskovic↗Jansen Seheult↗Wenchao Han↗Anand Bhattad↗Alan Yuille↗Feng Wang↗

When humans see a bird, they recognize far more than just "bird" – they see a head, wings, and talons, a structured assembly of reusable parts that can be identified across every bird they have ever seen. We ask whether a self-supervised visual model can discover the same compositional structure on its own. To this end, we propose RATS (Register Attention Transformers), which decomposes the classification token into N learnable register tokens that route patch information through an L->N->N->L bottleneck via a three-step compress-communicate-broadcast attention. The N registers are partitioned across the H attention heads, so that registers assigned to different heads do not interact with each other. Without auxiliary losses or part annotations, each register spontaneously specializes into a proto-semantic region whose emerging structure resembles object parts. RATS surpasses all baselines by +12 mIoU on average across five segmentation benchmarks, with consistent gains on ADE20K (+1.11 mIoU) and COCO (+0.2 AP^m). Its register dictionary further exhibits part-level consistency and semantic proximity across related categories. Our results suggest that RATS may provide a useful architectural prior for structured and interpretable visual representation learning.

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23.

arXiv (CS.CV) 2026-06-24 DOI: arXiv:2606.24353

Open-Vocabulary BEV Segmentation with 3D-Aware Geometric Constraints

作者:

Hojun Choi↗Seulbin Hwang↗Dae Jung Kim↗Kisung Kim↗Hyunjung Shim↗Jinhan Lee↗

Bird's-eye view (BEV) perception fuses multi-camera images into a unified top-down representation for autonomous driving. Despite recent progress, state-of-the-art methods remain confined to closed-set scenarios, making them vulnerable to unpredictable real-world environments. In this work, we introduce open-vocabulary BEV segmentation (OVBS), which leverages vision-language models (VLMs) to recognize categories beyond the training set while maintaining precise BEV perception and real-time efficiency. A key challenge in OVBS lies in the 3D geometric inconsistency inherent in the ill-posed lifting of 2D VLM semantics into BEV. To address this, we propose OVBEVSeg, a geometry-aware OVBS framework that enhances efficient Gaussian splatting (GS)-based unprojection by leveraging robust 3D geometric constraints across three progressive stages: (1) 2D-to-BEV pseudo-labeling via reliable 3D projection for OV generalization; (2) joint 2D-BEV per-scene optimization with BEV structural constraints for 3D geometric consistency; and (3) 3D geometric distillation for online efficiency. On the nuScenes dataset, OVBEVSeg achieves state-of-the-art performance, outperforming closed-set methods by 15.3 mIoU on unseen categories. Remarkably, even with no novel-class ground-truth labels, it remains competitive with self- and semi-supervised baselines trained with up to 40% of ground-truth annotations. Furthermore, it achieves 2.5x faster inference with only 0.22x the memory consumption of projection-based methods. Project page: https://hchoi256.github.io/projects/ovbevseg/.

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24.

arXiv (CS.CL) 2026-06-11 DOI: arXiv:2602.00945

Neural FOXP2 – Language Specific Neuron Steering for Targeted Language Improvement in LLMs

作者:

Anusa Saha↗Tanmay Joshi↗Vinija Jain↗Aman Chadha↗Amitava Das↗

LLMs are multilingual by training, yet their lingua franca is often English, reflecting English language dominance in pretraining. Other languages remain in parametric memory but are systematically suppressed. We argue that language defaultness is governed by a sparse, low-rank control circuit, language neurons, that can be mechanistically isolated and safely steered. We introduce Neural FOXP2, that makes a chosen language (Hindi or Spanish) primary in a model by steering language-specific neurons. Neural FOXP2 proceeds in three stages: (i) Localize: We train per-layer SAEs so each activation decomposes into a small set of active feature components. For every feature, we quantify English vs. Hindi/Spanish selectivity overall logit-mass lift toward the target-language token set. Tracing the top-ranked features back to their strongest contributing units yields a compact language-neuron set. (ii) Steering directions: We localize controllable language-shift geometry via a spectral low-rank analysis. For each layer, we build English to target activation-difference matrices and perform layerwise SVD to extract the dominant singular directions governing language change. The eigengap and effective-rank spectra identify a compact steering subspace and an empirically chosen intervention window (where these directions are strongest and most stable). (iii) Steer: We apply a signed, sparse activation shift targeted to the language neurons. Concretely, within low to mid layers we add a positive steering along the target-language dominant directions and a compensating negative shift toward the null space for the English neurons, yielding controllable target-language defaultness.

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25.

arXiv (CS.CV) 2026-06-25 DOI: arXiv:2606.25279

MRI2Rep: Autoregressive Structured Report Generation for 3D Liver MRI

作者:

Xinran Li↗Junlin Yang↗Annabella Shewarega↗Zongwei Zhou↗Julius Chapiro↗James S. Duncan↗Lawrence H. Staib↗

Manual reporting of 3D MRI studies is time-consuming, yet end-to-end structured report generation for 3D liver MRI remains underexplored due to volumetric complexity and scarce paired data. We propose MRI2Rep, an autoregressive framework for liver MRI report generation. From 3,929 real-world MRI-report pairs acquired over a 10-year single-institution cohort, a Report-to-Label Canonicalization (RLC) module converts free-text reports into structured, closed-vocabulary diagnostic sequences without lesion-level annotations. On a held-out test set, MRI2Rep achieves 76.0% case-level sensitivity, 29.4% lesion-level F1, compared with no more than 8.3% for adapted medical vision-language baselines, and 82.4% liver-level accuracy. In a blinded reader study, two radiologists rated 75% and 70% of AI-generated reports as clinically acceptable, compared with 95% and 100% for original reports. Our automated LLM-based judge, LLM-Eval, rated 61.8% of AI-generated reports as acceptable, applying a stricter standard and supporting its use as a conservative proxy. To our knowledge, this is the first end-to-end LI-RADS-structured reporting system for 3D liver MRI.

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