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01.
Nature (Science) 2026-06-17

The EU needs to back its ambition to end animal testing with cash

Authors: Unknown Author

The European Union has declared that it wants to stop using animals in chemical safety testing. Its goal will need a timeline and a serious funding commitment. The European Union has declared that it wants to stop using animals in chemical safety testing. Its goal will need a timeline and a serious funding commitment.

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02.
arXiv (CS.AI) 2026-06-11

SPEAR: A System for Post-Quantization Error-Adaptive Recovery Enabling Efficient Low-Bit LLM Serving

Authors:
Hongyuan Liu↗Yawei Li↗Zhiqiang Que↗Qinli Yang↗Junming Shao↗Guosheng Hu↗

arXiv:2606.11244v1 Announce Type: cross Abstract: Efficient large language model (LLM) serving is increasingly constrained by deployment cost. Quantization is a key technique for reducing serving cost, yet even state-of-the-art 4-bit quantizers exhibit a noticeable quality gap from FP16, particularly for smaller models where low-bit serving is most beneficial. We identify a fundamental cause of this gap: quantization error is highly input-dependent and varies substantially across tokens, while existing post-quantization compensation methods are static and apply identical corrections to all inputs. As a result, easy tokens are over-corrected while hard tokens remain under-corrected. We present SPEAR, a system for post-quantization error-adaptive recovery that improves low-bit LLM serving. SPEAR introduces lightweight Error Compensators (ECs) modulated by per-token gates and places them only at the most error-sensitive layers identified through a CKA-guided entropy-aware diagnostic. This focuses a small parameter budget where it is most effective. Efficient deployment of ECs presents several systems challenges, including additional computation, tensor-parallel synchronization caused by input-dependent gating, and latency instability across configurations. SPEAR addresses these issues through adaptive kernel-fusion dispatch, combining an epilogue-integrated peer-reduction kernel with P2P dual-write to fuse the post-EC computation into low-bit GEMMs, and an SLO-constrained EC-aware scheduler for predictable serving performance. Across challenging per-channel quantization settings, SPEAR recovers 56-75% of the perplexity gap between W4 and FP16 while adding less than 1% model memory overhead and maintaining latency comparable to a widely used 4-bit serving deployment.

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03.
arXiv (CS.AI) 2026-06-18

AI-Driven Assessment of Human Tutors: Linking Training Performance to Real-Life Practice

Authors:
Danielle R. Thomas↗Marie Cynthia Abijuru Kamikazi↗Clara Brandt↗Conrad Borchers↗Kenneth R. Koedinger↗

arXiv:2606.18617v1 Announce Type: cross Abstract: There exist numerous tutor training platforms. However, few provide AI-driven training and evaluation for human tutors based on real-life performance. We present an AI-driven system that assesses both open responses during training and authentic real-life tutoring. Unlike platforms that only assess learning through online training or simulations, our system utilizes Generative AI (Gemini-2.5-pro) to analyze transcriptions of authentic tutoring, measuring the transfer of tutor skills to real-life application. Human tutors instructing students remotely in math (N=86) completed six scenario-based lessons, averaging a significant 7.4% learning gain. Using mixed-effects models across 405 session-to-lesson pairs, we found that training performance significantly predicted real-life transcript scores with an effect size of 0.25 SD. Model comparison (AIC/BIC) indicated averaging open response and multiple choice performance during training predicted real-life tutor performance best, although open responses were comparatively more predictive. Exploratory analysis showed that after training, tutors were significantly more likely to encounter pedagogical opportunities to apply their skills (61.1% to 68.9%) and demonstrated higher execution quality within those opportunities (65.5% to 68.1%). Interrupted time series analysis suggested that these tutor improvements were part of a gradual trend over time rather than an immediate intervention effect of training. We illustrate an AI-driven method to link tutor training with real-life assessment. In doing so, we contribute open datasets, AI prompts, and scoring rubrics to support transparency and reproducibility.

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04.
medRxiv (Medicine) 2026-06-15

Diabetes and the Life-Course: Evidence from Panel Data and Electronic Health Records

Authors:
Heitzig↗Mackenna↗Rehkopf↗

Incidence of type 2 diabetes is increasing at ages when education, work, family, and financial transitions are taking place, yet we lack robust evidence of whether earlier treatment changes life-course outcomes and over which time span this takes place. This paper uses the medical cutoff for diabetes diagnosis (HbA1c of 6.5 percent) as a natural experiment to study the effects of diabetes treatment using electronic health records (EHR) and panel data. This paper has three main findings. First, using EHR data, we find that there is a sharp increase in the probability of both diagnosis of diabetes and prescription when the HbA1c equals 6.5 percent. Second, we find that treating diabetes reduces HbA1c levels, weight, BMI, and blood pressure and increases the amount of care received, proxied by the number of HbA1c tests. Both the diagnosis and a prescription are independently able to produce positive changes in metabolic health, although a prescription is more effective in this regard. Third, we conclude that treating diabetes does not have a significant effect on life-course outcomes for a cohort of young Americans aged 24-32, although it does result in a reduction in HbA1c levels that are seen even eight years after the intervention. Taken together, these findings suggest that receiving a diagnosis and prescription are both effective treatments for diabetes, but they do not translate to significant alterations in the lives of young adults in the medium-term.

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05.
arXiv (CS.CV) 2026-06-16

Stringalign: Moving beyond summary statistics with a transparent Unicode-aware tool for evaluating automatic transcription models

Authors:
Yngve Mardal Moe↗Marie Roald↗

Comparing text strings is crucial when evaluating and understanding the performance of various text processing tasks such as document recognition and audio transcription. With an increasingly complex landscape of AI-based handwritten text recognition (HTR), optical character recognition (OCR) and automatic speech recognition (ASR) models, there is a need for tools that facilitate evaluation in a flexible and reproducible way. This paper presents Stringalign, a Python library designed to simplify the evaluation process for automatic transcription projects and facilitate transparent evaluation. Stringalign's tools to examine and visualise both the rate of errors and the types of errors a model makes, give insights into possible improvements and help inform model selection for a particular task. Widely used string comparison metrics, such as the character and word error rates (CER and WER), although useful, can be ambiguous due to varying definitions of what constitutes a character and a word. Stringalign addresses this challenge by ensuring all preprocessing (i.e. normalisation and tokenisation) is transparent and easily replicable, and by providing tools to move beyond summary statistics and analyse common model errors. Moreover, Stringalign adheres to FAIR (Findable, Accessible, Interoperable, and Reusable) principles for research software while staying lightweight and easy to adapt into researchers existing workflows. In this paper, we discuss challenges with character and word level string comparisons and show through examples that where existing tools can yield opaque and sometimes confusing results, Stringalign provides an easy-to-use and unambiguous alternative.

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

GF-DiT: Scheduling Parallelism for Diffusion Transformer Serving

Authors:
Xinwei Qiang↗Yifan Hu↗Shixuan Sun↗Jing Yang↗Han Zhao↗Chen Chen↗Yu Feng↗Jingwen Leng↗Minyi Guo↗

arXiv:2606.13501v1 Announce Type: cross Abstract: Diffusion Transformers (DiTs) have become the dominant architecture for image and video generation, creating growing demand for efficient DiT serving. Existing systems assign each request a fixed parallel configuration throughout its lifetime. However, DiT workloads exhibit substantial heterogeneity across requests, execution stages, and system conditions, making static parallelism inefficient and often leading to poor GPU utilization and degraded service quality. This paper argues that DiT serving should treat GPU parallelism as a first-class schedulable resource. We present GF-DiT, a policy-programmable runtime for elastic DiT serving that dynamically adapts the parallelism of running requests according to workload demands and service objectives. GF-DiT introduces an asynchronous execution abstraction that decomposes requests into independently schedulable trajectory tasks and enables online GPU reallocation. To make elastic parallelism practical, GF-DiT further proposes group-free collectives, a lightweight communication abstraction that supports low-overhead online formation and reconfiguration of arbitrary execution groups. We implement GF-DiT in vLLM-Omni and evaluate it on representative image and video diffusion workloads. Compared with fixed-pipeline execution with static parallelism, GF-DiT improves throughput by up to 6.01$\times$, reduces mean latency by up to 95%, lowers SLO violation rates by up to 90%, and reduces communication-group setup overhead from 778 ms to approximately 60 $\mu$s.

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07.
arXiv (quant-ph) 2026-06-17

An energy-based uncertainty principle and low-energy state preparation

Authors:
Anurag Anshu↗

arXiv:2603.15495v2 Announce Type: replace Abstract: Preparing low-energy states of many-body Hamiltonians is a central challenge in quantum computing, quantum complexity, and condensed matter physics. Existing approaches often get trapped in suboptimal states such as high-energy eigenstates or, more generally, low-variance states that resist further energy reduction. In this work, we explore a different perspective: instead of optimizing with respect to a single Hamiltonian, we leverage the fact that many systems admit families of Hamiltonians that share similar low-energy subspaces but differ at higher energies. We show that this redundancy can be turned into an algorithmic resource by establishing an energy-based uncertainty principle, which implies that these Hamiltonians cannot simultaneously admit low-variance states at higher energies. This suggests a simple strategy of alternating energy-lowering steps across such Hamiltonians, which we investigate numerically on several models. We also introduce a sparse variant where the uncertainty principle yields quadratically larger variance at higher energies, leading to more pronounced energy change. Overall, this work suggests a range of open questions at the interface of random matrix theory, local Hamiltonians and low-energy state preparation, aimed at understanding when such approaches are practical and how they can be analyzed rigorously.

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08.
Nature (Science) 2026-06-10

Confirmation that bryozoan animals were present during the Cambrian explosion

Authors: Unknown Author

Bryozoans are marine invertebrates that live in colonies and have long been considered absent from the Cambrian explosion — a rapid evolutionary event that began around 538 million years ago. Newly discovered fossils from the Cambrian period reveal that the bryozoan phylum had already diversified by this time. Fossils of two forms of bryozoans show evidence of soft tissue still preserved inside their mineralized skeletons.

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10.
arXiv (CS.CV) 2026-06-16

Proact-VL: A Proactive VideoLLM for Real-Time AI Companions

Authors:
Weicai Yan↗Yuhong Dai↗Qi Ran↗Haodong Li↗Wang Lin↗Tao Jin↗Xing Xie↗Hao Liao↗Jianxun Lian↗

Proactive and real-time interactive experiences are essential for human-like AI companions, yet face three key challenges: (1) achieving low-latency inference under continuous streaming inputs, (2) autonomously deciding when to respond, and (3) controlling both quality and quantity of generated content to meet real-time constraints. In this work, we instantiate AI companions through two gaming scenarios, commentator and guide, selected for their suitability for automatic evaluation. We introduce the Live Gaming Benchmark, a large-scale dataset with three representative scenarios: solo commentary, co-commentary, and user guidance, and present Proact-VL, a general framework that shapes multimodal language models into proactive, real-time interactive agents capable of human-like environment perception and interaction. Extensive experiments show Proact-VL achieves superior response latency and quality while maintaining strong video understanding capabilities, demonstrating its practicality for real-time interactive applications.

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

AURA: Active-Response Attribution under Treatment Ambiguity in Bacterial Cytological Profiling

Authors:
Kartik Jhawar↗Mrunmayee Deshpande↗Wilfried Moreira↗Guillermo C. Bazan↗Lipo Wang↗

When a bacterial sample is exposed to several antibiotics, not every applied drug necessarily acts: if the organism is resistant to one of them, that drug leaves no morphological trace. The clinically meaningful quantity is therefore not which antibiotics were applied, but which ones were active. We show that these two are sharply decoupled in real E. coli microscopy - naively assuming the applied combination equals the active one is correct only about 37% of the time - yet existing computational tools are ill-suited to recovering the active set. Forward perturbation models such as scGen, CPA, and IMPA are designed to predict appearance from treatment, not the reverse, and inverting them degrades sharply; discriminative image classifiers tend to memorise strain- and batch-specific texture and fail to transfer across experimental replicates. We introduce AURA, which reframes the task as constrained, energy-based inverse attribution. Its central inductive bias is that the active set must be a subset of the applied set; this collapses the candidate space and lets AURA infer the active subset of applied antibiotics by decomposing residual morphology into antibiotic response atoms and selecting the subset with the lowest reconstruction energy, using no strain label at test time. AURA-E adds evidence-aware abstention, withholding a prediction when candidate explanations remain near-equally plausible. On cross-replicate transfer in an E. coli cytological profiling dataset, AURA recovers the active antibiotic combination with 95.47% exact-match accuracy.

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

DPRM: A Plug-in Doob h transform-induced Token-Ordering Module for Diffusion Language Models

Authors:
Dake Bu↗Wei Huang↗Andi Han↗Hau-San Wong↗Qingfu Zhang↗Taiji Suzuki↗Atsushi Nitanda↗

arXiv:2604.24357v2 Announce Type: replace-cross Abstract: Diffusion language models generate without a fixed left-to-right order, leaving token ordering as a central algorithmic choice. Existing systems mainly use random masking or confidence-driven ordering, which respectively suffer from train–test mismatch and myopic exploration. We introduce DPRM (Doob -transform Process Reward Model), a plug-in token-ordering module that keeps the host architecture, denoising objective and supervision unchanged, and modifies only the ordering policy. DPRM starts from confidence-driven ordering and gradually shifts to process-reward-guided ordering through online estimates. We characterize the exact DPRM policy as a reward-tilted Gibbs reveal law, prove convergence of its stagewise Soft-BoN approximation, show that the online bucketized controller tracks the exact DPRM score at empirical-Bernstein rates, and establish a sample-complexity advantage under tractable optimization assumptions. Across nine hosts covering language reasoning, test-time scaling, protein, single-cell, molecular, DNA, text-to-image generation, and VQA, DPRM order variants improve several language, DNA, and multimodal settings while also identifying boundary cases where confidence-only ordering or task-specific utilities are preferable. Code is available at: https://github.com/DakeBU/DPRM-DLLM

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13.
arXiv (CS.CL) 2026-06-15

Did You Forget What I Asked? Prospective Memory Failures in Large Language Models

Authors:
Avni Mittal↗

Large language models often fail to satisfy formatting instructions when they must simultaneously perform demanding tasks. We study this behaviour through a prospective memory inspired lens from cognitive psychology, using a controlled paradigm that combines verifiable formatting constraints with benchmark tasks of increasing complexity. Across three model families and over 8,000 prompts, compliance drops by 2-21% under concurrent task load. Vulnerability is highly type-dependent: terminal constraints (requiring action at the response boundary) degrade most, with drops up to 50%, while avoidance constraints remain comparatively robust. A salience-enhanced format (explicit instruction framing plus a trailing reminder) recovers much of the lost compliance, restoring performance to 90-100% in many settings. Interference is bidirectional: formatting constraints can also reduce task accuracy, with one model's GSM8K accuracy dropping from 93% to 27%. In additional stacking experiments, joint compliance declines sharply as constraints accumulate. All results use deterministic programmatic checkers without an LLM-as-judge component on publicly available datasets.

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14.
arXiv (CS.AI) 2026-06-19

FM-Agent: Scaling Formal Methods to Large Systems via LLM-Based Hoare-Style Reasoning

Authors:
Haoran Ding↗Zhaoguo Wang↗Haibo Chen↗

arXiv:2604.11556v2 Announce Type: replace-cross Abstract: LLM-assisted software development has become increasingly prevalent, and can generate large-scale systems, such as compilers. It becomes crucial to strengthen the correctness of the generated code. However, automated reasoning for large-scale systems remains challenging due to code complexity. Hoare logic offers an approach to decomposing a large system into smaller components and reasoning about them separately (i.e., compositional reasoning). However, existing works still struggle to scale, because Hoare logic requires writing formal specifications for each function, imposing a heavy human burden. The problem is exacerbated when code is generated by LLMs, as developers lack a deep understanding of each function's expected behavior. This paper presents FM-Agent, the first framework that realizes automated compositional reasoning for large-scale systems. Leveraging LLMs, FM-Agent introduces a top-down paradigm to automatically generate function-level specifications. Specifically, FM-Agent derives the specification of a function from how its callers expect the function to behave, so the generated specifications can reflect the developer's intent of a function even if the implementation is buggy. Developers' intent is usually expressed in natural language, while existing verifiers only support formulas. Therefore, FM-Agent generalizes Hoare-style inference to reason about functions against natural-language specifications. Finally, to confirm bug existence and explain bug causes, FM-Agent automatically generates test cases to trigger potential bugs. In our evaluation, FM-Agent successfully reasons about large-scale systems within 2 days, each of which has up to 143k LoC. These systems have already been tested by their developers, but FM-Agent still finds 522 newly discovered bugs. These bugs can cause serious consequences, including system crashes and incorrect execution results.

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

JustDiag!: A Diagnostic Justification Engine for Accountable Root Cause Analysis

Authors:
Tingzhu Bi↗Xinrui Jiang↗Xun Zhang↗Pengcheng Su↗Congjie He↗Jinglin Li↗Ping Wang↗Meng Ma↗

arXiv:2606.19407v1 Announce Type: cross Abstract: Large language models can produce fluent root cause analyses, but fluent final answers alone are insufficient evidence for accountability in high-stakes operations. In real incident response, engineers need to know what evidence supported a diagnosis, which alternatives were considered, where contradictions remained, and whether the system resolved the case or preserved uncertainty. We address this gap with JustDiag, a diagnostic justification engine for RCA that maintains an explicit process state over evidence, findings, competing hypotheses, conflicts, and next checks. We evaluated the system on 66 real-world incidents using a two-layer protocol that separately scores final-answer quality and process quality. Relative to a matched control without diagnostic justification, JustDiag achieved stronger outcome and process scores, while accepting slightly lower terminal completion due to more calibrated non-closure. These results suggest that accountable RCA requires explicit diagnostic justification artifacts and process-aware evaluation, not only fluent final answers.

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

Deep Q-Learning on Hölder Spaces

Authors:
Qian Qi↗

arXiv:2606.16846v1 Announce Type: cross Abstract: We study the operator-theoretic core of Q-learning in continuous-time stochastic control with continuous states and actions. In value-based reinforcement learning, each Q-learning or DQN update is built from a Bellman optimality target; our analysis isolates this target in a diffusion setting and studies its regularity and approximation complexity. Under uniform ellipticity and Hölder-regular coefficients, we show that a Bellman update maps bounded inputs into an anisotropic regularity class, smoothing the state variable while leaving only Lipschitz dependence on the action variable. This yields a compact family of Bellman iterates and motivates a tensor-product DeepONet architecture adapted to the mixed regularity of the problem. We then derive explicit approximation and resource bounds, together with a stiffness–complexity trade-off as the time step $\delta \to 0$. The resulting theory makes a direct contribution to Q-learning theory at the level of Bellman target regularity and approximation in continuous stochastic control. At the same time, we do not claim a full convergence theorem for practical sampled Q-learning with exploration, replay, and stochastic gradient updates.

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17.
arXiv (CS.LG) 2026-06-19

SMT-AD: a scalable quantum-inspired anomaly detection approach

Authors:
Apimuk Sornsaeng↗Si Min Chan↗Wenxuan Zhang↗Swee Liang Wong↗Joshua Lim↗Jonathan Pan↗Dario Poletti↗

arXiv:2604.06265v2 Announce Type: replace Abstract: Quantum-inspired tensor networks algorithms have shown to be effective and efficient models for machine learning tasks, including anomaly detection. Here, we propose a highly parallelizable quantum-inspired approach which we call SMT-AD from Superposition of Multiresolution Tensors for Anomaly Detection. It is based upon the superposition of bond-dimension-1 matrix product operators to transform the input data with Fourier-assisted feature embedding, where the number of learnable parameters grows linearly with feature size, embedding resolutions, and the number of additional components in the matrix product operators structure. We demonstrate successful anomaly detection when applied to standard datasets, including credit card transactions, and find that, even with minimal configurations, it achieves competitive performance against established anomaly detection baselines. Furthermore, it provides a straightforward way to reduce the weight of the model and even improve the performance by highlighting the most relevant input features.

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19.
medRxiv (Medicine) 2026-06-18

Plasma proteomics reveals clinical and mechanistic heterogeneity among individuals who develop coronary artery disease

Authors:
Yang↗Tan↗Carrasco-Zanini↗Su↗C.-Y↗Zhou↗Koyama↗Natarajan↗langenberg↗Lu↗Yoshiji↗

BACKGROUND: Individuals who develop coronary artery disease (CAD) are clinically and mechanistically heterogeneous, and understanding this variation is crucial for precise risk stratification and tailored interventions. However, the molecular mechanisms that connect these two kinds of heterogeneity remain unclear, limiting progress toward biologically grounded risk stratification and targeted interventions. Here, we investigated the heterogeneity of individuals who develop CAD by leveraging plasma proteomic signatures, placed individuals along continuous metabolic gradients and revealed the molecular programs underlying these patterns, thereby linking mechanistic variation to clinical heterogeneity. METHODS AND RESULTS: From 42,803 UK Biobank participants, including 3,713 individuals who developed CAD within 10 years (incident CAD), we first identified a 320-protein panel from 2,923 baseline proteins that improved prediction of incident CAD beyond clinical risk scores. Using reverse graph embedding, we reduced the proteomic data to two dimensions and mapped each incident case onto the resulting two-dimensional latent proteomic space. These proteomic dimensions show significant associations with cardiometabolic and kidney-related clinical markers. The patterns were replicated in the EPIC-Norfolk study. Phenome-wide Cox regression analyses further linked these proteomic dimensions to 10-year incidence rates for various diseases, including type 2 diabetes, obesity, and chronic kidney disease (CKD). Furthermore, adding the proteomic dimensions to clinical variable-based Cox regression model improved prediction of 10-year incidence of CKD and other diseases, demonstrating the value of proteomic dimensions beyond conventional clinical risk factors. Moreover, individuals with prevalent CAD (diagnosed before proteomic sampling) exhibited high, metabolically adverse dimension values, indicating that these axes capture cumulative metabolic burden. Pathway enrichment analyses implicated altered extracellular matrix organization and immune programs among the proteins contributing to the proteomic dimensions. CONCLUSIONS: Our findings demonstrate that plasma proteomic signatures can dissect the heterogeneity of individuals who develop CAD in continuous phenotypic gradients, improve prediction of CAD and comorbidities, and map underlying biological mechanisms.

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20.
arXiv (CS.CV) 2026-06-19

3D Vessel Reconstruction from Sparse-View Dynamic DSA Images via Vessel Probability Guided Attenuation Learning

Authors:
Zhentao Liu↗Huangxuan Zhao↗Wenhui Qin↗Zhenghong Zhou↗Xinggang Wang↗Wenping Wang↗Xiaochun Lai↗Chuansheng Zheng↗Dinggang Shen↗Zhiming Cui↗

Digital Subtraction Angiography (DSA) is one of the gold standards for vascular disease diagnosis. With the help of a contrast agent, time-resolved 2D DSA images deliver comprehensive blood flow information and can be utilized to reconstruct 3D vessel structures for medical assessment. Current commercial DSA systems typically require hundreds of scanning views to perform reconstruction, resulting in substantial radiation exposure. In this study, we propose a neural rendering-based optimization framework tailored for high-quality sparse-view DSA reconstruction to reduce radiation dosage. Our approach, termed vessel probability guided attenuation learning, represents DSA imaging as a complementary weighted combination of static and dynamic attenuation fields, with the weights derived from the time-independent vessel probability field. Functioning as a foreground mask, vessel probability provides proper gradients for both static and dynamic fields adaptive to different scene types. This mechanism enables self-supervised decomposition between static backgrounds and dynamic contrast agent flow, and significantly improves reconstruction quality. Our model is trained by minimizing the discrepancy between synthesized projections and real captured DSA images. We further employ two training strategies to improve reconstruction quality: (1) coarse-to-fine progressive training for better geometry and (2) temporal perturbed rendering loss for temporal consistency. Experimental results have demonstrated high-quality 3D vessel reconstruction and 2D DSA image synthesis.

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21.
arXiv (CS.LG) 2026-06-18

Smoothness-Based Derandomization of PAC-Bayes Bounds

Authors:
Alexandre Lemire Paquin↗Brahim Chaib-Draa↗Philippe Gigu\`ere↗

arXiv:2606.19105v1 Announce Type: new Abstract: We study PAC-Bayes derandomization for smooth loss functions. Our goal is to obtain generalization bounds that hold with high probability for deterministic predictors by exploiting smoothness properties of both the loss and the predictor class. We show that passing from the Gibbs predictor to the deterministic predictor at the posterior mean has a precise cost, given by the generalization gap of the Jensen gap class. We control this class through its Rademacher complexity, leading to bounds for deterministic predictors that involve flatness quantities expressed in terms of parameter Jacobians and Hessians of the score map. The framework applies to both bounded and unbounded smooth loss functions, and we specialize the results to linear predictors and smooth neural networks. Finally, the Jacobian and Hessian quantities appearing in the theory motivate a practical regularizer. For BatchNorm networks, we compute this regularizer with respect to effective BatchNorm weights obtained by folding the BatchNorm transformation into the adjacent affine weights. Experiments on CIFAR-10 illustrate the behavior of this regularizer under different batch sizes.

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

Smoothing Dark Areas in Molecular Latent Diffusion

Authors:
Xi Wang↗Jiahan Li↗Yuxuan Xia↗Yingcheng Wu↗Shaoyi Zheng↗Shengjie Wang↗

arXiv:2606.13955v1 Announce Type: new Abstract: Latent diffusion is a promising framework for scalable 3D molecular generation, but it requires a latent space that remains smooth, valid, and navigable beyond posterior samples. Existing molecular VAEs, however, are typically learned through reconstruction-based objectives, which do not guarantee such a latent space. We show that this leads to dark areas: regions of latent space that are reachable during diffusion sampling but decode to disconnected or chemically invalid molecules. Unlike in image generation, molecular decoding requires strict structural and chemical precision, so even small latent perturbations can produce catastrophic failures. We therefore propose TopVAE, a topology-optimized VAE that reduces dark areas by making the decoder internalize structural and chemical constraints during training, eliminating the need for test-time chemical correction. TopVAE greatly improves off-posterior robustness, and when paired with a standard DiT, achieves $77\%$ lower FCD-3D on QM9, the highest V&C, $52\%$ lower FCD-3D on GEOM-Drugs, and $1.29{\times}$ more stable and connected molecules on zero-shot scaffold inpainting.

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23.
bioRxiv (Bioinfo) 2026-06-13

Virus-human protein-protein interactions predict viral phenotypes

Authors:
Zhang↗Feng↗Ge↗Meng↗Peng↗

Viral phenotypes such as host and tissue tropism are critical determinants of viral infection and transmission. Inferring viral phenotypes presents unique challenges compared to cellular organisms, as viruses rely entirely on host machinery for replication and survival. Current methods for predicting viral phenotypes mainly rely on viral genomic data, often overlooking host-related information. Here, we evaluated the utility of predicted virus-human protein-protein interactions (PPIs) in inferring diverse viral phenotypes using machine-learning algorithms. For predicting human infectivity, a PPI-based machine learning model outperformed both virus genomic and protein sequence-based models that used large language model embeddings. It also surpassed previous methods that incorporated both viral and host genomic data. The human proteins identified by the model were significantly enriched in functions related to viral infection and immune response. In predicting various phenotypes of human RNA viruses, PPI-based models performed better than virus sequence-based models in forecasting virulence, human transmissibility and transmission routes, while showing comparable performance to genomic sequence-based models in predicting tissue tropism. Finally, we demonstrated that a PPI-based model could distinguish high-risk HPV genotypes from low-risk ones. Proteins associated with high-risk HPV were involved in apoptosis and immune regulation, whereas those linked to low-risk HPV were enriched in telomere maintenance and DNA repair. Collectively, this study is the first to demonstrate the value of predicted virus-human PPIs in inferring viral phenotypes, thereby enhancing our understanding of the molecular mechanisms underlying these phenotypes. It also provides effective tools for risk assessment of emerging viruses, contributing to improved pandemic preparedness.

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

sebis at CRF Filling 2026: A Two-Stage Local LLM Pipeline for Medical CRF Filling

Authors:
Katharina Sommer↗Tristan Till↗Florian Matthes↗

The extraction of structured clinical information from unstructured EHR notes is a persistent bottleneck in healthcare informatics. While large language models (LLMs) offer high performance, their deployment in clinical settings is hindered by privacy risks, inference costs, and the tendency to hallucinate beyond textual evidence. We address these challenges for the CL4Health 2026 Case Report Form (CRF) filling task by proposing a fully local, domain-adapted pipeline using the MedGemma-27B model. Our two-stage architecture, which separates binary presence classification from value extraction, enforces strict adherence to textual evidence and ensures deterministic outputs for negated, uncertain, or unknown states. By leveraging item-specific, few-shot in-context learning without external API calls or fine-tuning, our approach achieves a macro-F1 score of 0.55 on the official English test track. This result secures second place among all locally-hosted, open-source submissions. Our work demonstrates that privacy-preserving, on-premise LLM pipelines can achieve near-competitive performance with proprietary frontier models, providing a practical, data-sovereign framework for clinical NLP.

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

SAIGuard: Communication-State Simulation for Proactive Defense of LLM Multi-Agent Systems

Authors:
Ruxue Shi↗Yili Wang↗Mengnan Du↗Qinggang Zhang↗Rui Miao↗Yixin Liu↗Xin Wang↗

arXiv:2606.12474v1 Announce Type: cross Abstract: LLM-based multi-agent systems (MAS) solve complex tasks through inter-agent collaboration, but their communication-driven nature also allows security risks to spread across agents and trigger system-wide failures. Existing MAS defenses mainly follow a reactive paradigm after execution by detecting and isolating harmful agents, which may cause irreversible damage and degrade collaborative utility. To address this, we propose a proactive defense framework for MAS security, namely a Simulation-aware Interception Guard (SAIGuard). SAIGuard performs communication-state simulation over the MAS interaction graph, estimates the impact of incoming messages on local agent states and the global MAS state, and detects risky messages via reconstruction deviations from benign communication patterns. Instead of isolating agents, SAIGuard sanitizes or regenerates suspicious messages before it propagation into system. Experiments across diverse topologies and attack scenarios show that SAIGuard reduces attack success rates while maintaining MAS utility, outperforming reactive defenses.

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