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01.
PLOS Medicine 2026-05-13

Contribution of nosocomial transmission to <i>Klebsiella pneumoniae</i> neonatal sepsis in Africa and South Asia: An observational study of infection clusters inferred from pathogen genomics and temporal data

作者:
Erkison Ewomazino Odih↗

by Erkison Ewomazino Odih, Jabir A. Abdulahi, Anne V. Amulele, Matthew Bates, Eva Heinz, Weiming Hu, Kajal Jain, Rindidzani Magobo, Courtney P. Olwagen, John M. Tembo, Tolbert Sonda, Jonathan Strysko, Caroline C. Tigoi, Kyle Bittinger, Jennifer Cornick, Ebenezer Foster-Nyarko, Wilson Gumbi, Steven M. Jones, Chileshe L. Musyani, Carolyn M. McGann, Ahmed M. Moustafa, Patrick Musicha, James C. L. Mwansa, Moreka L. Ndumba, Thomas D. Stanton, Donwilliams O. Omuoyo, Oliver Pearse, Laura T. Phillips, Paul J. Planet, Charlene M. C. Rodrigues, Fatou Secka, Kirsty Sands, Erin Theiller, Allan M. Zuza, Sulagna Basu, Grace J. Chan, Kenneth C. Iregbu, Jean-Baptiste Mazarati, Semaria Solomon Alemayehu, Timothy R. Walsh, Rabaab Zahra, Angela Dramowski, Sombo Fwoloshi, Appiah-Korang Labi, Lola Madrid, Noah Obeng-Nkrumah, David Ojok, Boaz D. Wadugu, Andrew C. Whitelaw, Anudita Bhargava, Atul Jindal, Ramesh K. Agarwal, Alexander M. Aiken, James A. Berkley, Susan E. Coffin, Nicholas A. Feasey, Nelesh P. Govender, Davidson H. Hamer, Shabir A. Madhi, Mari Jeeva Sankar, Kelly L. Wyres, Kathryn E. Holt Background Klebsiella pneumoniae is the leading cause of sepsis among neonates in low- and middle-income countries (LMICs) in Africa and Asia, contributing substantially to the overall burden of antimicrobial-resistant infections and mortality among neonates globally. Pathogen sequencing has been used to investigate case clusters and confirm nosocomial transmission in a small number of neonatal units. Here we utilise pathogen sequence data to estimate the fraction of K. pneumoniae neonatal sepsis attributable to nosocomial transmission in African and South Asian countries. Methods and findings We estimated the proportion of invasive K. pneumoniae disease involved in nosocomial transmission clusters in a given neonatal unit, using single-linkage clustering based on pairwise temporal and genetic distances estimated from bacterial whole-genome sequences aggregated from 10 contributing studies. Analysing 1,523 K. pneumoniae isolates from 27 units in 13 countries in Africa and South Asia between 2013 and 2023, we inferred 156 nosocomial transmission clusters, ranging from 2 to 188 neonates each (83 of the clusters comprised ≥3 cases). Overall, we estimated that 1,035 neonatal infections (68.0%) were part of nosocomial transmission clusters. Excluding the first infection in each cluster as a potential index case, we estimate at least 879 (57.7%) infections were acquired via nosocomial transmission. Sensitivity analyses showed that results were robust to the choice of genetic distance estimation methods and thresholds used to define clusters, and cluster estimates were stable over temporal distance thresholds ranging from 2 to 8 weeks. Isolates were mostly extended-spectrum beta-lactamase (ESBL) producers (90.9%) and included 172 multi-locus sequence types (STs). Fourteen STs, including several globally recognised multidrug-resistant lineages, were associated with transmission clusters at multiple units, and these were collectively responsible for two-thirds of all infections. Carriage of carbapenemase genes (adjusted odds ratio, aOR = 2.08 [95% confidence interval, CI: 1.04, 4.14]; p = 0.04) and ESBL genes (aOR = 2.48 [95% CI: 1.26, 4.90]; p = 0.006) were significantly positively associated with transmission in a logistic regression model with site as a covariate. Limitations of this study include the lack of sufficient clinical data to allow high-resolution investigation of transmission dynamics and lack of facility-level data to investigate contributors to the observed differences in transmission burden across sites. Conclusions Nosocomial transmission contributes to a substantial proportion of K. pneumoniae sepsis in neonatal care units in Africa and South Asia. Reducing transmission within these settings through improved infection prevention and control and other measures could substantially reduce the neonatal sepsis burden. A high burden of transmission clusters is associated with the same drug-resistant lineages that are recognised as high-risk clones associated with hospital outbreaks in high-income countries, indicating global connectivity of the antimicrobial-resistant pathogen population.

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02.
bioRxiv (Bioinfo) 2026-06-20

Evaluation of Trypanosoma brucei Phosphofructokinase Allosteric Inhibition: An In-Silico Study

作者:
Gumbis↗Houston↗D. R↗

Human African trypanosomiasis, caused by a protozoan parasite Trypanosoma brucei, is a neglected tropical disease for which well-tolerated, conveniently administered, and highly efficacious medicines are still missing. Previously, T. brucei Phosphofructokinase was targeted by small-molecule inhibitor development efforts. This approach has shown promise both in vitro and in vivo. In this study, we have used these wet-lab results, evaluated the compounds already characterised by Molecular Dynamics simulations, found relationships between in silico and wet-lab data and used these observations to evaluate compounds that we selected through several different approaches of virtual screens. We observed that inhibitor-ATP interactions are highly predictive of the inhibitory activity. Several compounds selected through virtual screens have outperformed previously characterised compounds.

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03.
arXiv (CS.CV) 2026-06-11

Temporal2Seq: A Unified Framework for Temporal Video Understanding Tasks

作者:
Min Yang↗Zichen Zhang↗Qian Dang↗Limin Wang↗

With the development of video understanding, there is a proliferation of tasks for clip-level temporal video analysis, including temporal action detection (TAD), temporal action segmentation (TAS), and generic event boundary detection (GEBD). While task-specific video understanding models have exhibited outstanding performance in each task, there remains a dearth of a unified framework capable of simultaneously addressing multiple tasks, which is a promising direction for the next generation of AI. To this end, in this paper, we propose a single unified framework, coined as Temporal2Seq, to formulate the output of these temporal video understanding tasks as a sequence of discrete tokens. With this unified token representation, Temporal2Seq can train a generalist model within a single architecture on different video understanding tasks. In the absence of multi-task learning (MTL) benchmarks, we compile a comprehensive co-training dataset by borrowing the datasets from TAD, TAS, and GEBD tasks. We evaluate our Temporal2Seq generalist model on the corresponding test sets of three tasks, demonstrating that Temporal2Seq can produce reasonable results on various tasks and achieve advantages compared with single-task training on this framework. We also investigate the generalization performance of our generalist model on new datasets from different tasks, which yields superior performance to the specific model.

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04.
arXiv (CS.LG) 2026-06-16

Anomaly Detection via Mean Shift Density Enhancement

作者:
Pritam Kar↗Rahul Bordoloi↗Olaf Wolkenhauer↗Saptarshi Bej↗

arXiv:2602.03293v2 Announce Type: replace Abstract: Unsupervised anomaly detection stands as an important problem in machine learning. Existing unsupervised anomaly detection algorithms rarely perform well across different anomaly types, often excelling only under specific structural assumptions. This lack of robustness also becomes particularly evident under noisy settings. We propose Mean Shift Density Enhancement (MSDE), a fully unsupervised framework that detects anomalies through their geometric response to density-driven manifold evolution. MSDE is designed as a general purpose anomaly detection framework, based on the principle that normal samples, being well supported by local density, remain stable under iterative density enhancement, whereas anomalous samples undergo large cumulative displacements as they are attracted toward nearby density modes. To operationalize this idea, MSDE employs a weighted mean-shift procedure with adaptive, sample-specific density weights derived from a manifold learning-based fuzzy neighborhood graph. We evaluate MSDE on an anomaly detection benchmark comprising 46 real-world tabular datasets, four realistic anomaly generation mechanisms, and six noise levels. Compared to 13 established unsupervised baselines, MSDE achieves consistently strong, balanced and robust performance for several standard classification metrics, at several noise levels and on average over several types of anomalies. These results demonstrate that displacement-based scoring provides a robust alternative to the existing state-of-the-art for unsupervised anomaly detection.

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05.
arXiv (CS.AI) 2026-06-18

UBP2: Uncertainty-Balanced Preference Planning for Efficient Preference-based Reinforcement Learning

作者:
Mohamed Nabail↗Leo Cheng↗Jingmin Wang↗Nicholas Rhinehart↗

arXiv:2606.19328v1 Announce Type: cross Abstract: Preference-based RL provides an approach to learning reward models from pairwise comparisons of behaviors, bypassing the need for explicit reward design. However, existing methods typically rely on passive data collection and suffer from poor sample efficiency, especially during the early stages of learning. We introduce a model-based approach that actively directs exploration by jointly reasoning over uncertainties in the reward, dynamics, and value functions. Our method, Uncertainty-Balanced Preference Planning (UBP2), uses ensembles of reward, dynamics, and value function models to evaluate candidate trajectories according to a unified score that combines expected reward, terminal value, and epistemic uncertainty. Planning under this objective yields an explicit tradeoff between exploitation and information acquisition without requiring ad hoc exploration heuristics. Under standard regularity assumptions, we establish sublinear regret guarantees for both finite-horizon and infinite-horizon settings. Empirically, experiments on the Meta-World benchmark show UBP2 achieves substantially higher sample efficiency than model-free preference-based methods and non-optimistic model-based baselines.

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

IUU+DB: Tracking Illegal, Unreported, and Unregulated Fishing, Seafood Fraud, and Labor Abuse through LLM-driven Information Extraction

作者:
Henry Bodwell↗Hong Yang↗John C. Simeone↗Kelvin Gorospe↗Bella Sullivan↗Lana Huang↗Jessica Gephart↗Sandy Aylesworth↗Molly Masterton↗Naren Ramakrishnan↗

arXiv:2606.18181v1 Announce Type: cross Abstract: Illegal, unreported, and unregulated fishing (IUU) traditionally refers to fishing activities that violate applicable laws or occur in areas that lack applicable laws. We propose the term IUU+ to capture a broader suite of fisheries sector environmental and associated supply chain trade-related crimes and behaviors. Although IUU+ activity is widely recognized as a serious threat to marine ecosystems, markets, and livelihoods, a quantitative understanding of these incidents, e.g., their frequency, geography, species, actors, and patterns in the type of illicit activity, remains difficult to obtain. We propose IUU+DB, a large language model driven system for building a global incident database of IUU+ activity. The system ingests heterogeneous documents, classifies whether they describe relevant incidents, extracts key data elements such as actors, locations, species, vessels, violations, and enforcement outcomes, and supports deduplication and trend analysis. Case studies and validation results show that IUU+DB can help organize fragmented evidence, surface geographic and behavioral hotspots, support fisheries-domain specific research in academia and non-government organizations, assist source and species risk assessments for industry, and provide support for policy implementation and targeted enforcement efforts to government agencies.

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07.
arXiv (CS.AI) 2026-06-19

Which Pairs to Compare for LLM Post-Training?

作者:
Jiangze Han↗Vineet Goyal↗Will Ma↗

arXiv:2606.19607v1 Announce Type: new Abstract: Preference-based post-training has become a central paradigm for aligning language models. A common data-collection strategy is to generate a small set of completions for each prompt and label the resulting comparison pairs. However, human preference labels are often much more expensive than generating additional completions, suggesting a different use of the same labeling budget: generate a larger pool of completions, but label only the most informative comparison pairs. This paper studies which pairs should be compared in preference-based post-training. We formulate comparison curation as a sampling-design problem and evaluate designs by the quality of the final policy under the preference-based post-training objective. We instantiate this framework for Direct Preference Optimization (DPO), analyzing how the choice of labeled pairs propagates through DPO training to downstream policy performance. Our main results provide matching upper and lower bounds on the post-training optimality gap of the DPO-trained policy. The bounds show that comparison selection affects downstream performance through a single design-dependent information matrix, which links label allocation to parameter estimation error and policy suboptimality. This yields an explicit optimization criterion for budgeted comparison curation and motivates practical sampling designs for selecting informative pairs from large generated completion pools. Experiments on synthetic settings and language-model post-training benchmarks show that the proposed designs consistently improve sample efficiency over common comparison-selection heuristics.

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

FOCUS: DLLMs Know How to Tame Their Compute Bound

作者:
Kaihua Liang↗Xin Tan↗An Zhong↗Hong Xu↗Marco Canini↗

Diffusion Large Language Models (DLLMs) offer a compelling alternative to Auto-Regressive models, but their deployment is constrained by high decoding cost. In this work, we identify a key inefficiency in DLLM decoding: while computation is parallelized over token blocks, only a small subset of tokens is decodable at each diffusion step, causing most compute to be wasted on non-decodable tokens. We further observe a strong correlation between attention-derived token importance and token-wise decoding probability. Based on this insight, we propose FOCUS, an inference system designed for DLLMs. By dynamically focusing computation on decodable tokens and evicting non-decodable ones on-the-fly, FOCUS increases the effective batch size, alleviating compute limitations and enabling scalable throughput. Empirical evaluations demonstrate that FOCUS achieves up to 3.52$\times$ throughput improvement over the production-grade engine LMDeploy in large-batch settings, while preserving or improving generation quality across multiple benchmarks.

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10.
arXiv (CS.CV) 2026-06-17

AnnotateAnything: Automatic Annotation of 3D Assets for Robot Manipulation

作者:
Haoran Lu↗Mutian Shen↗Shuyang Yu↗Yu Xiao↗Songling Liu↗Jianshu Zhang↗Shang Wu↗Yue Chen↗Guo Ye↗Jiayi Wang↗Zhaoran Wang↗Han Liu↗…

Simulation enables scalable robot data collection, but raw 3D assets provide only geometry, lacking the semantic, interactive, and physical knowledge needed to specify where and how robots should act. In this work, we present AnnotateAnything, a general automatic annotation framework that converts passive 3D assets into manipulation-ready assets with structured, diverse, and executable manipulation labels. AnnotateAnything is built around two complementary pipelines. First, a unified visual-language annotation pipeline using vision-language reasoning to infer object semantics, interaction constraints, and 3D-grounded cues, providing human-prior guidance for identifying meaningful interaction regions. Second, a fully automatic and massively parallel physics annotation pipeline grounds these priors in each asset's geometry and physical constraints through candidate generation, geometry optimization and trajectory generation. This pipeline produces diverse and executable action annotations, including grasp poses, dexterous contacts, articulation waypoints, insertion directions, hanging affordances, and navigation targets. Using the generated annotations, we further build an asynchronous parallel simulation data-collection system across diverse objects, tasks, and robot embodiments. Experiments demonstrate that AnnotateAnything achieves superior annotation efficiency, data-collection efficiency, and task success rates over existing annotation and data-generation pipelines, while also supporting downstream tasks such as affordance detection, robotic VQA, and visual instruction finetuning. We provide project materials on the project page and plan to release the full code, annotations, and benchmark to facilitate future research. Videos, code, demo assets, and annotations are provided in supplementary materials Project page: https://tourmaline-caramel-169490.netlify.app.

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

A Self Consistency Based Reranking for Narrative Question Answering

作者:
Molham Mohamed↗Ali Hamdi↗

Narrative question answering (NQA) is a challenging task in natural language processing that requires models to understand long textual contexts, capture relationships across events, and generate coherent responses. Despite recent advances in pretrained language models, most existing approaches rely on a single decoding output during inference, making them sensitive to generation variability and often resulting in incomplete or inconsistent answers .To address this limitation, we propose a self-ensemble Self-Consistency-Based reranking framework for narrative question answering. The proposed method generates multiple candidate answers for each story-question pair and selects the final answer based on semantic agreement among the generated responses. This allows the model to explore diverse answer formulations while improving robustness through consensus-based selection without requiring modifications to the underlying architecture .The framework combines pretrained and fine-tuned language generation with multi-answer inference and similarity-based reranking. We evaluate the proposed approach on the NarrativeQA dataset using multiple models, including FLAN-T5 (Base and Small) and Pegasus-Large, under both baseline and fine-tuned settings .Experimental results demonstrate that the proposed method consistently improves performance across all models. In particular, FLAN-T5-Base achieves the best overall performance, improving from 82.32% to 86.66% (+4.34%) when combined with self-ensemble inference. Additionally, the largest improvement is observed with Pegasus-Large, which increases from 72.50% to 87.07% (+14.57%), highlighting the effectiveness of the proposed strategy.

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

Position: Stop Anthropomorphizing Intermediate Tokens as Reasoning/Thinking Traces!

作者:
Subbarao Kambhampati↗Karthik Valmeekam↗Siddhant Bhambri↗Vardhan Palod↗Lucas Saldyt↗Kaya Stechly↗Soumya Rani Samineni↗Durgesh Kalwar↗Upasana Biswas↗

arXiv:2504.09762v4 Announce Type: replace Abstract: Intermediate token generation (ITG), where a model produces output before the solution, has become a standard method to improve the performance of language models on reasoning tasks. These intermediate tokens have been called \say{reasoning traces} or even \say{thinking traces} – implicitly anthropomorphizing the traces, and implying that these traces resemble steps a human might take when solving a challenging problem, and as such can provide an interpretable window into the operation of the model's thinking process to the end user. In this position paper, we present evidence that this anthropomorphization isn't a harmless metaphor, and instead is quite dangerous – it confuses the nature of these models and how to use them effectively, and leads to questionable research. We call on the community to avoid such anthropomorphization of intermediate tokens.

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13.
arXiv (CS.LG) 2026-06-16

Efficient Reinforcement Learning by Guiding World Models with Non-Curated Data

作者:
Yi Zhao↗Aidan Scannell↗Wenshuai Zhao↗Yuxin Hou↗Tianyu Cui↗Le Chen↗Dieter B\"uchler↗Arno Solin↗Juho Kannala↗Joni Pajarinen↗

arXiv:2502.19544v3 Announce Type: replace Abstract: Leveraging offline data is a promising way to improve the sample efficiency of online reinforcement learning (RL). This paper expands the pool of usable data for offline-to-online RL by leveraging abundant non-curated data that is reward-free, of mixed quality, and collected across multiple embodiments. Although learning a world model appears promising for utilizing such data, we find that naive fine-tuning fails to accelerate RL training on many tasks. Through careful investigation, we attribute this failure to the distributional shift between offline and online data during fine-tuning. To address this issue and effectively use the offline data, we propose two techniques: i) experience rehearsal and ii) execution guidance. With these modifications, the non-curated offline data substantially improves RL's sample efficiency. Under limited sample budgets, our method achieves nearly twice the aggregate score of learning-from-scratch baselines across 72 visuomotor tasks spanning 6 embodiments. On challenging tasks such as locomotion and robotic manipulation, it outperforms prior methods that utilize offline data by a decent margin.

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14.
medRxiv (Medicine) 2026-06-24

An Automated, Pathologist-free Gleason Grade Stratifies Disease-free Interval Comparably to Expert Grading from a Single Out-of-distribution Slide

作者:
Ebbert↗J. L↗Szymanski↗Perry↗Della Corte↗

Automated Gleason grading now matches expert pathologists on the cohorts where systems are developed and tuned, but deployment-relevant gaps remain: whether an automated grade, applied without site-specific tuning or pathologist oversight, stratifies outcome comparably to expert grading on slides from unseen institutions and in cross-specimen applications. We tested this for disease-free interval (DFI), a curated recurrence endpoint. A production gland-level prostate diagnostic (PathTools Prostate v11.0) was applied frozen and uncalibrated to 298 diagnostic whole-slide images from 274 TCGA-PRAD radical-prostatectomy patients, a cohort outside its development distribution and needle-core-biopsy training data, contributed by 25 source sites under heterogeneous digitization; tissue was detected automatically with no expert region annotation. From the output we derived an ISUP grade group and continuous high-grade content, and evaluated each grade as a standalone predictor of DFI (24 events) by Harrell's c-index with 95% bootstrap confidence intervals, a paired between-method bootstrap, and Kaplan-Meier curves with the log-rank test. The automated grade reproduced the clinical grade group at quadratic-weighted kappa = 0.62 (95% CI 0.53-0.70; 48% exact, 86% within one group), within the expert inter-observer range. As the sole predictor it stratified recurrence (log-rank p = 0.022; c-index 0.69, 95% CI 0.58-0.79), and the continuous high-grade fraction was robustly prognostic (hazard ratio 1.37 per SD, p = 0.029; c-index 0.71, 0.61-0.81). Standalone discrimination was not statistically separable from the clinical grade (c-index 0.78, 0.69-0.86; paired {triangleup} c-index spanning zero), and in a joint model the automated grade added nothing beyond it, consistent with both measuring a shared morphological axis. From a single out-of-distribution slide with no pathologist oversight, the automated grade provides standalone recurrence stratification not statistically separable from whole-gland expert grading, demonstrating robust generalizability beyond training data; reported as a continuous high-grade fraction, it offers reproducible, expert-free, grade-equivalent risk stratification for harmonizing large archival or genomically-profiled cohorts.

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15.
arXiv (CS.CV) 2026-06-18

Would you still call this Dax? Novel Visual References in VLMs and Humans

作者:
Ada Defne T\"ur↗Gaurav Kamath↗Joyce Chai↗Siva Reddy↗Benno Krojer↗

Vision-language models (VLMs), like human learners, are frequently exposed to new visual concepts, but how they map novel visual references to language after exposure remains largely underexplored, particularly when those references contradict prior knowledge from pre-training. To study this, we present the Novel Visual References Dataset (NVRD): 19,176 images spanning 90 visual concepts across different levels of visual novelty, each with up to 20 increasingly perturbed versions of the original object to probe generalization. Unlike prior work on visual augmentations of familiar concepts, NVRD comprises entirely novel, open-ended stimuli constructed from scratch, mirroring how humans encounter genuinely new concepts. We evaluate 3 open- and 2 closed-source models alongside 2,400 human judgments for direct human-model comparison, and find that (i) models struggle to acquire novel concepts in-context when they contradict prior knowledge, and (ii) while models and humans show correlated sensitivity to visual perturbations, models significantly overgeneralize, extending learned labels to stimuli that humans reject. We contribute NVRD as a corpus and benchmark for research on visual concept learning in both humans and machines.

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

Benchmarking Vision Foundation Models for Domain-Generalizable Face Anti-Spoofing

作者:
Mika Feng↗Pierre Gallin-Martel↗Koichi Ito↗Takafumi Aoki↗

Face Anti-Spoofing (FAS) remains challenging due to the requirement for robust domain generalization across unseen environments. While recent trends leverage Vision-Language Models (VLMs) for semantic supervision, these multimodal approaches often demand prohibitive computational resources and exhibit high inference latency. Furthermore, their efficacy is inherently limited by the quality of the underlying visual features. This paper revisits the potential of vision-only foundation models to establish a highly efficient and robust baseline for FAS. We conduct a systematic benchmarking of 15 pre-trained models, such as supervised CNNs, supervised ViTs, and self-supervised ViTs, under severe cross-domain scenarios including the MICO and Limited Source Domains (LSD) protocols. Our comprehensive analysis reveals that self-supervised vision models, particularly DINOv2 with Registers, significantly suppress attention artifacts and capture critical, fine-grained spoofing cues. Combined with Face Anti-Spoofing Data Augmentation (FAS-Aug), Patch-wise Data Augmentation (PDA) and Attention-weighted Patch Loss (APL), our proposed vision-only baseline achieves state-of-the-art performance in the MICO protocol. This baseline outperforms existing methods under the data-constrained LSD protocol while maintaining superior computational efficiency. This work provides a definitive vision-only baseline for FAS, demonstrating that optimized self-supervised vision transformers can serve as a backbone for both vision-only and future multimodal FAS systems. The project page is available at: https://gsisaoki.github.io/FAS-VFMbenchmark-CVPRW2026/ .

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17.
bioRxiv (Bioinfo) 2026-06-13

ADMETron: An AI-driven SaaS platform for comprehensive ADMET prediction and compound prioritisation

作者:
Nair↗D. N↗Yadav↗R. S↗Jondhale↗P. M↗Didhate↗Gunjal↗Ranjit↗Patil↗Dawande↗Shisode↗…

ONTOSIGHT(R) ADMETron is an AI-driven platform designed for rapid prediction and visualization of Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties to support modern drug discovery. The platform integrates an interactive web interface with a scalable predictive engine, enabling high-throughput virtual screening and batch analysis of chemical compounds. Its core architecture combines recurrent neural network (RNN)-derived molecular embeddings from SMILES representations with physicochemical descriptors, which are subsequently modeled using gradient boosting machines (GBMs). This framework provides predictions across 34 ADMET endpoints, including physicochemical properties, absorption, CYP450 interactions, hERG liability, and mutagenicity. The predictive performance of ADMETron was evaluated using benchmark datasets from the Therapeutics Data Commons (TDC), demonstrating strong performance and generalizability across both classification and regression tasks. Beyond predictive modeling, the platform introduces an interactive radar graph-based structure-activity relationship (SAR) visualization framework that enables real-time comparison of multiple compounds and reference drugs across selected ADMET parameters. This feature facilitates intuitive interpretation of multidimensional molecular profiles and supports lead optimization and compound prioritization. Comparative assessment against widely used online ADMET tools further demonstrated broad endpoint coverage spanning pharmacokinetic, physicochemical, toxicity, and medicinal chemistry properties within a unified environment. Together, these capabilities establish ADMETron as a comprehensive platform for ADMET assessment and data-driven decision-making in drug discovery. (https://admetron.partex.ai/).

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

When Correct Edges Cannot Be Verified: A Provenance Gap in Incomplete KGQA and a Provenance-Favoring Completion Policy

作者:
Yongqi Kang↗Yu Fu↗Yong Zhao↗

Incomplete Knowledge Graph Question Answering (IKGQA) requires completing missing edges to continue reasoning. A growing line of work verifies completed edges against retrieved text, treating textual support as a proxy for edge quality. We ask a question that, to our knowledge, has not been systematically tested: does textual verifiability actually track correctness? Exploiting the gold deleted triples provided by the standard random-deletion protocol, we measure both. The finding is counterintuitive: among gold-correct completed edges, 76-96% have no supporting passage even under exhaustive retrieval, robustly across deletion rates (20%/40%), datasets (CWQ/WebQSP), and relation types (structural, commonsense, long-tail). Most Freebase-style facts simply do not occur as head-tail co-mentions in text. Textual faithfulness therefore measures provenance, not correctness – separated by a paradigm-level gap no in-corpus retrieval closes. This reframes edge completion. Since most completed edges – correct or not – are causally redundant for the answer (95-97% of correct answers do not depend on any unsupported edge), the central question shifts from "is the edge correct?" to "admit or abstain under provenance uncertainty?" Within this framing we present TGComplete, a provenance-favoring admission policy that retrieves evidence at a reasoning breakpoint, verifies a candidate through a lightweight loop, and abstains when support is absent. Against the generate-to-complete baseline GoG, it attains higher edge precision against gold (15-21% vs 3-14%), with no statistically detectable EM loss and 3.1-7.4 times higher strict faithfulness of admitted edges – at the cost of lower recall. We position TGComplete not as uniformly better, but as a principled point on a precision/provenance-recall trade-off, appropriate when auditability matters.

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19.
arXiv (CS.CV) 2026-06-18

BindEdit: Taming Attention Leakage for Precise Multi-Object Image Editing

作者:
Chaewon Park↗Soyoon Lee↗Naeun Lee↗Minjung Shin↗Seogkyu Jeon↗Kibeom Hong↗

Real image editing enables precise manipulation of visual content, yet existing methods often fail in complex multi-object scenarios, causing semantic blending, object duplication, or incomplete edits. We attribute these failures to attention leakage, where signals across spatial regions and text tokens become entangled during the denoising process. Specifically, we identify two distinct forms of leakage: Edit-Token Leakage, where ambiguous token-region alignment leads to object blending, and Source Dominance Leakage, where tokens of unchanged source objects overwhelm the attention intended for target entities. To resolve these leakages, we propose BindEdit, which enforces attention-level constraints within a single diffusion trajectory. To suppress Edit-Token Leakage, BindEdit jointly regularizes cross- and self-attention so that each target token group is bound to its corresponding spatial region while maintaining instance-level separation. To suppress Source Dominance Leakage, a cross-attention re-balancing mechanism amplifies target token influence and attenuates residual source semantics within editable regions. Moreover, a region fidelity term ensures that each target concept is expressed coherently across the entire editing mask. Additionally, we propose a comprehensive multi-object benchmark encompassing diverse object counts and categories. Extensive experiments demonstrate that BindEdit consistently outperforms existing methods within a single diffusion trajectory, maintaining robust performance across both single- and multi-object editing scenarios.

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

Why Pool When You Can Flow? Active Learning with GFlowNets

作者:
Renfei Zhang↗Mohit Pandey↗Artem Cherkasov↗Martin Ester↗

arXiv:2509.00704v2 Announce Type: replace-cross Abstract: The scalability of pool-based active learning is limited by the computational cost of evaluating large unlabeled datasets, a challenge that is particularly acute in virtual screening for drug discovery. While active learning strategies such as Bayesian Active Learning by Disagreement (BALD) prioritize informative samples, it remains computationally intensive when scaled to libraries containing billions samples. In this work, we introduce BALD-GFlowNet, a generative active learning framework that circumvents this issue. Our method leverages Generative Flow Networks (GFlowNets) to directly sample objects in proportion to the BALD reward. By replacing traditional pool-based acquisition with generative sampling, BALD-GFlowNet achieves scalability that is independent of the size of the unlabeled pool. In our virtual screening experiment, we show that BALD-GFlowNet achieves a performance comparable to that of standard BALD baseline while generating more structurally diverse molecules, offering a promising direction for efficient and scalable molecular discovery.

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21.
arXiv (CS.CV) 2026-06-24

SignNet-1M: Large-Scale Multilingual Sign Language Video Dataset with Downstream Benchmarks

作者:
Zhewen He↗Junyi Hu↗Haomian Huang↗Zhenhua Li↗Yu-Shen Liu↗Yi Fang↗

Sign language models are typically trained on datasets captured under constrained conditions, with limited viewpoint, background, and signer-identity diversity, leading to poor robustness under real-world distribution shifts. We introduce SignNet-1M, a large-scale augmented dataset spanning ASL, CSL, and German Sign Language (DGS). SignNet-1M synthesizes realistic variations along three axes: (i) novel-view rendering (rotation and zoom) via 3D Gaussian Splatting (3DGS), (ii) scene/identity editing via diffusion models for background replacement and signer substitution while preserving sign motion and linguistic content, and (iii) post-rendering augmentations that emulate capture and compression artifacts (e.g., pose/temporal perturbations and video-level corruptions) to better match in-the-wild recordings. Beyond data release, we provide a unified benchmark suite across downstream tasks (e.g., translation and recognition) and ablations that isolate each augmentation component. Experiments across backbones show that training with SignNet-1M consistently improves generalization under cross-view, cross-background, cross-identity, and post-rendering shifts, while maintaining strong in-distribution performance. The dataset, full augmentation pipeline, and benchmark are available at https://signnet.chatsign.ai/.

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22.
arXiv (CS.LG) 2026-06-15

Arbitrary control over multimode wave propagation for machine learning

作者:
Tatsuhiro Onodera↗Martin M. Stein↗Benjamin A. Ash↗Mandar M. Sohoni↗Melissa Bosch↗Ryotatsu Yanagimoto↗Marc Jankowski↗Timothy P. McKenna↗Tianyu Wang↗Gennady Shvets↗Maxim R. Shcherbakov↗Logan G. Wright↗…

arXiv:2402.17750v2 Announce Type: replace-cross Abstract: Controlled multimode wave propagation can enable more space-efficient photonic processors than architectures based on discrete components connected by single-mode waveguides. Instead of defining discrete elements, one can sculpt the continuous substrate of a photonic processor to perform computations through multimode interference in two dimensions. Here we designed and demonstrated a device with a refractive index that can be rapidly reprogrammed across space, allowing arbitrary control of wave propagation. The device, a two-dimensional programmable waveguide, uses parallel electro-optic modulation of the refractive index of a slab waveguide with about $10^4$ programmable spatial degrees of freedom. We implemented neural network inference on benchmark tasks with up to $49$-dimensional vectors in a single pass, without digital pre-processing or post-processing. Theoretical and numerical analyses further indicated that two-dimensional programmable waveguides may offer not only a constant-factor reduction in device area but also a scaling benefit, with the area required growing as $N^{1.5}$ rather than $N^2$.

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23.
arXiv (math.PR) 2026-06-25

The relationship between the transition functions of the labeled and unlabeled versions of the infinitely-many-neutral-alleles diffusion model

作者:
S. N. Ethier↗

arXiv:2606.06739v2 Announce Type: replace Abstract: The transition function of the unlabeled infinitely-many-neutral-alleles diffusion model, as expressed by Zhou (2015), is derived from the transition function of the labeled infinitely-many-neutral-alleles diffusion model, slightly simplifying the derivation by Feng (2010).

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24.
arXiv (CS.CV) 2026-06-12

From Seeing to Experiencing: Scaling Navigation Foundation Models with Reinforcement Learning

作者:
Honglin He↗Yukai Ma↗Brad Squicciarini↗Wayne Wu↗Bolei Zhou↗

Navigation foundation models trained on massive web-scale data enable agents to generalize across diverse environments and embodiments. However, these models, which are trained solely on offline data, often lack the capacity to reason about the consequences of their actions or adapt through counterfactual understanding. They thus face significant limitations in real-world urban navigation, where interactive and safe behaviors, such as avoiding obstacles and moving pedestrians, are critical. To tackle these challenges, we introduce the Seeing-to-Experiencing (S2E) learning framework to scale the capability of navigation foundation models with reinforcement learning. S2E combines the strengths of pretraining on offline videos and post-training through reinforcement learning. It maintains the model's generalizability acquired from large-scale real-world videos while enhancing its interactivity through reinforcement learning in simulation environments. Specifically, we introduce two innovations: (1) an Anchor-Guided Distribution Matching strategy for offline pretraining, which stabilizes learning and models diverse motion patterns through anchor-based supervision; and (2) a Residual-Attention Module for reinforcement learning, which obtains reactive behaviors from simulation environments without erasing the model's pretrained knowledge. Moreover, we establish a comprehensive end-to-end evaluation benchmark, NavBench-GS, built on photorealistic 3D Gaussian Splatting reconstructions of real-world scenes that incorporate physical interactions. It can systematically assess the generalizability and safety of navigation foundation models.

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

Towards Mitigating Hallucinations in Large Vision-Language Models by Refining Textual Embeddings

作者:
Aakriti Agrawal↗Gouthaman KV↗Rohith Aralikatti↗Gauri Jagatap↗Jiaxin Yuan↗Sarvesh Baskar↗Vijay Kamarshi↗Andrea Fanelli↗Furong Huang↗

Hallucinations in Large Vision-Language Models (LVLMs) remain a persistent challenge, often stemming from inadequate integration of visual information during multimodal reasoning. A key cause is the model's over-reliance on textual priors and underutilization of visual cues, leading to outputs that are linguistically fluent but visually inaccurate. For example, given an image of an empty kitchen countertop, an LVLM might hallucinate a "bowl of fruit" or "cup of coffee", relying on language associations rather than visual evidence. Most LVLMs incorporate visual features by appending them to the input stream of a pre-trained LLM and training on large-scale vision-language datasets. Our systematic analysis reveals that this strategy often leads to over-dependence on textual information due to the inherent bias of LLMs towards language-dominant representations. This imbalance skews attention towards the text over visual content, weakening the model's ability to ground outputs in visual inputs. To address this, we propose a simple yet effective visual feature incorporation method that encourages the model to learn visually-informed textual embeddings distinct from those of the base LLM and promotes a more balanced attention distribution. Experimental results across multiple hallucination benchmarks demonstrate that our method significantly reduces hallucinations and fosters more balanced multimodal reasoning. Notably, our approach achieves substantial gains, including +9.33% on MMVP-MLLM, +2.99% on POPE-AOKVQA, up to +3.4% on Merlin, and +3% on the hard-data split of HallusionBench.

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