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01.
arXiv (quant-ph) 2026-06-15

Gaussian mode coupling of spectrally broadband photons from bulk spontaneous parametric down-conversion: A spatial-spectral mode analysis of fiber coupling

作者:
Carlos Sevilla-Guti\'errez↗Varun Raj Kaipalath↗Fabian Steinlechner↗

arXiv:2602.23238v2 Announce Type: replace Abstract: Photon sources based on spontaneous parametric down-conversion (SPDC) are central to experimental quantum optics and quantum technologies. Their performance is commonly quantified by three metrics: pair-collection probability, heralding efficiency, and spectral purity. In bulk-crystal SPDC, these metrics are known to be mutually constrained, yet the physical origin of the resulting trade-offs is often obscured. We show that these trade-offs originate from the frequency-dependent population of discrete spatial modes in the SPDC emission. By performing a Laguerre-Gauss mode decomposition at each frequency component, we show how spectral-spatial non-separability impacts collection probability, heralding efficiency, and purity. We apply this framework to two widely used quasi-phase-matching configurations: collinear degenerate type-0 and type-II SPDC in periodically poled bulk crystals, and quantify how different phase-matching functions shape the spectral-spatial mode structure. In particular, for type-II SPDC we compare standard periodically poled and aperiodically poled Gaussian phase matching. We experimentally validate some of our theoretical results using spatial- and spectral-projection measurements. This spectral-spatial mode analysis provides a quantitative and predictive framework for understanding and engineering bulk-crystal photon sources, enabling systematic multi-parameter optimization beyond qualitative design guidelines.

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

Scaling limits of the single-curve interface and outermost loops in the planar random field Ising model

作者:
Fenglin Huang↗L\'eonie Papon↗Aoteng Xia↗

arXiv:2606.13147v1 Announce Type: new Abstract: We prove that the interface separating $+1$ and $-1$ spins in the near-critical planar random field Ising model (RFIM) with Dobrushin boundary conditions has a scaling limit, whose law is conformally covariant and almost surely absolutely continuous with respect to SLE$_3$. The limiting curve can be seen as a massive version of SLE$_3$ in the sense of Makarov and Smirnov, but in a random environment. We then show that the outermost spin loops of the near-critical planar RFIM with $+1$ boundary conditions have subsequential limits and that any of these limits is almost surely singular with respect to CLE$_3$. This dichotomy between absolute continuity of the single interface and singularity of the outermost loops reflects the fact that a single interface does not explore enough of the magnetization field of the near-critical RFIM to detect the singularity of this field with respect to the critical Ising magnetization field, whereas the outermost spin loops do.

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03.
arXiv (CS.AI) 2026-06-19

Execution-bound advisory automation for agentic AI: a reproducible AIBOM-driven CSAF-VEX framework

作者:
Petar Radanliev↗Omar Santos↗Carsten Maple↗Kay Atefi↗

arXiv:2606.19390v1 Announce Type: cross Abstract: A protocol driven framework is presented that binds SBOM and AIBOM artefacts to deterministic environment capture and structured runtime telemetry. Exploitability is computed from declared artefacts, observed activation conditions, and enforced execution policies. CSAF VEX advisories are generated from combined static and runtime evidence, cryptographically signed, and validated through deterministic replay. Evaluation uses approximately 10000 component entries across synthetic Agentic AI workloads 50 to 5000 components, incorporating OSV, GitHub Advisory, KEV, and EPSS datasets.

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04.
arXiv (CS.AI) 2026-06-11

When Researchers Say Mental Model/Theory of Mind of AI, What Are They Really Talking About?

作者:
Xiaoyun Yin↗Elmira Zahmat Doost↗Shiwen Zhou↗Garima Arya Yadav↗Jamie C. Gorman↗

arXiv:2510.02660v2 Announce Type: replace-cross Abstract: When researchers claim AI systems possess ToM or mental models, they are fundamentally discussing behavioral predictions and bias corrections rather than genuine mental states. This position paper argues that the current discourse conflates sophisticated pattern matching with authentic cognition, missing a crucial distinction between simulation and experience. While recent studies show LLMs achieving human-level performance on ToM laboratory tasks, these results are based only on behavioral mimicry. More importantly, the entire testing paradigm may be flawed in applying individual human cognitive tests to AI systems, but assessing human cognition directly in the moment of human-AI interaction. I suggest shifting focus toward mutual ToM frameworks that acknowledge the simultaneous contributions of human cognition and AI algorithms, emphasizing the interaction dynamics, instead of testing AI in isolation.

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05.
medRxiv (Medicine) 2026-06-12

Does the method matter? Evaluating the effectiveness, efficiency and ease of hearing-aid gain self-adjustment

作者:
Benecke↗Whitmer↗W. M↗

In conventional hearing-aid personalisation, clinicians cannot hear what their patients hear, and patients cannot often reliably detect or describe what they hear. Self-adjustment avoids this issue but requires user controls that adjust hearing-aid signal processing parameters to be effective, efficient and easy. In this study, we explored (a) the roles of interface complexity and stimulus type in the self-adjustment of hearing-aid gain, and (b) how well individuals can adjust one sound to match another to assess the same interfaces and stimuli. Adult hearing-aid users with mild to moderate symmetrical sensorineural hearing loss repeatedly adjusted the gain (a) to their preference from individual prescription (n = 41) and (b) to match their previous preferences from a random starting point (n = 32) using three interfaces representing different bass/mid/treble configurations and three stimuli (music, speech and speech-in-noise). The large interindividual variability in self-adjusted gains clustered into three patterns of deviation from initial prescription: increased relative bass, overall gain reduction, and close to initial prescription. There were no substantial effects of interface nor stimulus on self-adjustment reliability (median {sigma} = 2.8 dB), whereas absolute sound-matching error increased with increasing interface complexity and centre frequency. Neither individual matching accuracy nor questionnaire responses predicted either self-adjusted gains or reliability. Overall, these results show that many - but not all - hearing-aid users can adjust gains with reasonable reliability, and while it can be difficult to predict the behaviour from the individual, the individual applies a similar self-adjustment behaviour across different interfaces and stimuli.

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07.
PLOS Computational Biology 2026-06-10

A mean-field model of neural networks with PV and SOM interneurons reveals connectivity-based mechanisms of gamma oscillations

作者:
Farzin Tahvili↗

by Farzin Tahvili, Martin Vinck, Matteo Di Volo Classic theoretical models of cortical oscillations are based on the interactions between two populations of excitatory and inhibitory neurons. Nevertheless, experimental studies and network simulations suggest that interneuron subclasses such as parvalbumin (PV) and somatostatin (SOM) exert distinct control over oscillatory dynamics. Yet, we lack a theoretical understanding of the mechanisms underlying oscillations in E-PV-SOM circuits and of the differences with respect to the classical mechanisms for oscillations in simpler E–I networks. Here, we derive a biologically realistic mean-field model of a canonical three-population E-PV-SOM circuit. This model robustly generates oscillations whose features are consistent with experimental observations, including the relative timing of PV and SOM activity and the effects of optogenetic perturbations. By reducing the model to a linear analytical form, we demonstrate that gamma oscillations emerge directly from the cell-specific connectivity of the three-population circuit. This connectivity motif alone accounts for experimentally observed phase relationships, with PV activity consistently leading that of SOM neurons. Together, this mean field model identifies a distinct structural mechanism giving rise to oscillations in canonical E–PV–SOM circuits and provides theoretical primitives for constructing large-scale, cell-type-specific models of cortical dynamics.

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08.
arXiv (math.PR) 2026-06-16

Probabilities

作者:
Jean-Yves Ouvrard↗Xavier Ouvrard↗

arXiv:2601.18853v4 Announce Type: replace-cross Abstract: Probabilities is the English translation of the book Probabilités Tome 1 and Tome 2. The mathematic content is authored by Prof. Jean-Yves Ouvrard. The English version has been done by his eldest son Dr. Xavier Ouvrard. This probability theory book covers not only an introduction to this field, but also advanced concepts based on measure theory. The first part introduces the fundamentals of probability theory across 7 chapters, targeting bachelor level, including event algebras, random variables, independence, conditional probabilities, moments of discrete and continuous random variables, generating functions, and limit theorems. The second part contains 10 chapters and corresponds to master level. Following a brief introduction to measure theory, this part develops more advanced topics: probability measures and their complements, distributions and moments of random variables, modes of convergence, laws of large numbers, conditional expectation, Fourier transforms and characteristic functions, Gaussian random variables, convergence of measures, convergence in distribution, discrete-time stochastic processes, martingales, and Markov chains. The reader's work is greatly facilitated by the inclusion, in every chapter, of numerous exercises, all accompanied by detailed solutions that often provide substantial extensions to the theoretical material.

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09.
arXiv (CS.LG) 2026-06-19

A Model-Driven Approach for Developing Families of Reinforcement Learning Environments

作者:
Xiaoran Liu↗Istvan David↗

arXiv:2606.20324v1 Announce Type: cross Abstract: Virtual training environments are software-intensive systems in which reinforcement learning (RL) agents learn, adapt, and demonstrate meaningful behavior. Virtual training environments offer a safe and cost-efficient alternative to training agents in real-world settings. However, to converge, most realistic RL problems require training in multiple, mostly similar but slightly different environments - i.e., families of environment variants. The typical development process of environment families is a labor-intensive and error-prone manual endeavor that does not scale well. To alleviate these issues, in this paper, we propose a model-driven approach for developing families of RL training environments. To obtain the family of environments, we develop an approach and prototype tool. In our approach, a hybrid genetic algorithm - a combination of population-based global search and heuristic local search - generates environment families. Mutations and constraints are expressed as model transformations and are operationalized into a search process by a state-of-the-art model transformation engine. We demonstrate the soundness of our approach in a wildfire mitigation scenario and curriculum learning - a particular learning paradigm that relies on environment families.

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

SupraBench: A Benchmark for Supramolecular Chemistry

作者:
Tianyi Ma↗Yijun Ma↗Zehong Wang↗Weixiang Sun↗Ziming Li↗Connor R. Schmidt↗Chuxu Zhang↗Matthew J. Webber↗Yanfang Ye↗

Supramolecular chemistry, which includes the study of non-covalent host-guest assemblies, has advanced various applications. However, designing host-guest systems remains time-consuming, requiring days of dry-lab verification per candidate pair. Although LLMs have emerged as a fast alternative with strong performance on molecular binding tasks, no benchmark currently systematically evaluates LLMs for host-guest reasoning across fundamental supramolecular chemistry tasks, e.g., binding affinity prediction. To this end, we collaborate with domain experts to release the first Supramolecular Benchmark, called SupraBench, to evaluate LLMs in chemistry reasoning. Specifically, we design four fundamental tasks, i.e., binding affinity prediction, top-binder selection, solvent identification, and host-guest description, plus an auxiliary vision-based task for molecular identification. We also release SupraPMC, a curated 16M-token corpus of Supramolecular chemistry articles distilled from Europe PMC, to support the adaptation to the supramolecular domain. We benchmark a broad range of open and proprietary LLMs and find that LLMs leave substantial headroom across all tasks. Domain adaptation pretraining over SupraPMC transfers cleanly to in-distribution regression but trades off against strict letter-format output. Moreover, the difficulty profile differs sharply across task families, revealing distinct failure modes that indicate specific gaps in current supramolecular chemistry reasoning. Our source codes and benchmark datasets are available at https://github.com/Tianyi-Billy-Ma/SupraBench.

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11.
arXiv (CS.AI) 2026-06-15

HarnessX: A Composable, Adaptive, and Evolvable Agent Harness Foundry

作者:
Tingyang Chen↗Shuo Lu↗Kang Zhao↗Weicheng Meng↗Hanlin Teng↗Tianhao Li↗Chao Li↗Xule Liu↗Jian Liang↗Zhizhong Zhang↗Yuan Xie↗Heng Qu↗…

arXiv:2606.14249v1 Announce Type: new Abstract: AI agent performance depends critically on the runtime harness, comprising the prompts, tools, memory, and control flow that mediate how a model observes, reasons, and acts. Yet today's harnesses remain largely hand-crafted and static: each new model or task still demands bespoke scaffolding, and the rich traces produced during execution are rarely distilled back into systematic improvement. We introduce HarnessX, a foundry for composable, adaptive, and evolvable agent harnesses. HarnessX assembles typed harness primitives via a substitution algebra, adapts them through AEGIS, a trace-driven multi-agent evolution engine grounded in an operational mirror between symbolic adaptation and reinforcement learning, and closes the harness-model loop by turning trajectories into both harness updates and model training signal. Across five benchmarks (ALFWorld, GAIA, WebShop, tau^3-Bench, and SWE-bench Verified), HarnessX yields an average gain of +14.5% (up to +44.0%), with gains largest where baselines are lowest. These results suggest that agent progress need not come from model scaling alone: composing and evolving runtime interfaces from execution feedback is an actionable and complementary lever. The complete codebase will be open-sourced in a future release.

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12.
arXiv (CS.AI) 2026-06-16

LLM4RTL: Tool-Assisted LLM for RTL Generation

作者:
Jing Jin↗Robert Chu↗Ning Yan↗Masood S. Mortazavi↗

arXiv:2606.15500v1 Announce Type: cross Abstract: Large language models (LLMs) have facilitated impressive progress in software engineering, code generation, tooling, and systems. Concurrently, a significant body of research has developed which explores a growing variety of methods and systems for applying LLMs to hardware and chip design (e.g., systems for RTL code generation based on functional description). However, when it comes to open Verilog/RTL code-generation, we need high-quality training samples to build specialized and more effective LLM systems through fine-tuning or low-rank adaptation. Here, we propose a ``judge-renew-check-renew-check'' (JRCRC) pipeline which updates a current public dataset using a hierarchy of state-of-the-art commercial LLM models differing in their costs and capabilities in RTL code generation. This approach achieves a cost-effective mechanism for filtering and refining code-generation samples into a higher-quality training dataset. Our experiments also identify some common weaknesses of LLMs in rule-based reasoning and logic, and consequently, in RTL code-generation. Having identified these weaknesses, we develop an architecture for incorporating pre-processing tools to dynamically assist the LLMs in inferring logical relationships from tabular data formats. With our tools-assisted architecture for RTL code generation, we achieve significant overall performance gains in the VerilogEval benchmark and outperform many state-of-the-art methods. Our LLM4RTL system achieves performance comparable to that of GPT-4O using a significantly much smaller LLM.

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

Conditioning Matters: Stabilizing Inversion and Attention in Diffusion Image Editing

作者:
Zheyuan Zhan↗Hongchen Li↗Can Wang↗Yinfei Ma↗Mingzhen Huang↗Ruoshi Bai↗Jiawei Chen↗Siwei Lyu↗Defang Chen↗

Inversion-based image editing offers flexible and training-free control but still struggles with inversion accuracy and the trade-off between editing fidelity and background preservation. While recent methods improve inversion formulations or attention interactions, the role of textual conditioning in shaping diffusion dynamics and editing behavior remains underexplored. We show both empirically and theoretically that the precision of textual conditioning influences inversion stability by modulating the geometry of the diffusion velocity field, while also affecting the consistency of cross-branch attention during editing. These effects directly impact background preservation and semantic fidelity. Building on this analysis, we propose SimEdit, a conditioning-aware framework with two complementary components: (a) conditioning refinement, which constructs conditioning signals with improved semantic precision and structural alignment to facilitate stable inversion and consistent attention manipulation, and (b) token-wise cross-branch attention control, which separates edit-relevant and structure-preserving components and modulates them asymmetrically during attention manipulation. Extensive experiments on PIE-Bench demonstrate that SimEdit consistently improves both inversion reconstruction quality and editing performance over previous attention-manipulation approaches. Our code is available at https://github.com/zju-pi/SimEdit.

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14.
arXiv (CS.LG) 2026-06-17

Evaluating Open-Source LLMs for Multi-Label ATT&CK Technique Classification on CTI Reports

作者:
Ahmed Ryan↗Saad Sakib Noor↗Md Erfan↗Shaswata Mitra↗Sudip Mittal↗Md Rayhanur Rahman↗

arXiv:2606.18166v1 Announce Type: cross Abstract: Classifying Cyber Threat Intelligence (CTI) using MITRE Adversarial Tactics, Techniques, and Common Knowledge (ATT&CK) is essential for proactive defense, but historically required extensive human effort. Pre-Large Language Model (LLM) automation sped up this process, but could not resolve the complex language and multi-step attack patterns found in unstructured CTI reports. LLMs addressed previous limitations by using contextual reasoning to understand unstructured text. However, current evaluations rely on simplified, single-technique sentences that ignore the complexity of real-world CTI reports, which often leads to inflated performance results. Consequently, the baseline performance of open-source LLMs on complex unstructured CTI reports remains unevaluated. To address this gap, we constructed a ground-truth dataset of 2,076 human-annotated sentences (1,281 technique-positive, 795 negative) from 83 complex unstructured CTI reports. These sentences were mapped to 114 unique ATT&CK techniques using a six-phase annotation process, achieving \k{appa} = 0.68 inter-annotator agreement. Using this dataset, we evaluated seven open-source LLMs ranging from 8B to 236B parameters across prompt strategy and temperature configurations. The highest-performing LLM achieved a micro-averaged F1 score of 0.22, establishing the empirical baseline for multi-label ATT&CK classification on complex unstructured CTI. Parameter size showed a statistically significant positive correlation with F1 score. Prompt strategy and temperature produced no statistically significant gains across model configurations. These results indicate that current open-source LLMs are insufficient for production-grade ATT&CK classification. The dataset, benchmark, and findings provide a reproducible foundation for future CTI research.

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

When Good Verifiers Go Bad: Self-Improving VLMs Can Regress on New Tasks

作者:
Jianzhe Lin↗

arXiv:2606.14629v1 Announce Type: cross Abstract: Verifier-driven self-DPO is a common recipe for self-improving production visual-language models. In this setup, a frozen verifier scores candidate generations, the top- and bottom-scoring candidates form a preference example, and DPO updates the learner. The deployment-time assumption is monotone: a stronger verifier should yield a stronger student. We show that this assumption can fail because verifier quality is highly task-specific. On a four-rung open-source verifier ladder across MathVista, MMMU, and BLINK, the same verifiers that are above-threshold and improve a Qwen-3-VL-2B student on MathVista become sub-threshold on MMMU, where their task-rubric accuracy drops to 8% to 23%. In this regime, every verifier we tested silently regresses the student, producing drops of 3.4 to 10.9 percentage points below the frozen baseline while the DPO training loss continues to decrease. The regression replicates on a second student, Qwen-2.5-VL-3B. Moreover, within the failure regime, damage is confidence-inverted: the more accurate-but-still-wrong verifier causes larger regression than a near-random verifier, suggesting that progress-gated replay amplifies confidently wrong preference pairs. We give a compact mechanistic explanation via a variance theorem for progress-gated replay and its direction-mismatch failure mode. The deployment message is operational rather than purely diagnostic: before running any verifier-driven loop, teams should measure target-task rubric accuracy, rank verifiers by target-task rubric quality rather than parameter count, and treat diminishing returns in above-threshold regimes as a verifier-side compute budget cap.

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

TVIR: Building Deep Research Agents Towards Text-Visual Interleaved Report Generation

作者:
Xinkai Ma↗Zhiqi Bai↗Dingling Zhang↗Pei Liu↗Yishuo Yuan↗He Zhu↗Jiakai Wang↗Qianqian Xie↗Yifan Zhao↗Xinlong Yang↗Hao Cong↗Zhiheng Yao↗…

Deep Research Agents have shown strong capability in multi-step information retrieval, reasoning, and long-form report generation, but existing benchmarks and systems remain predominantly text-centric, with limited evaluation of whether visual elements are factually reliable and well aligned with the surrounding analysis. To address this gap, we introduce TVIR (Text-Visual Interleaved Report Generation), which includes TVIR-Bench, a benchmark of 100 expert-curated multimodal deep research tasks that require visual elements to serve specific analytical sub-goals, and TVIR-Agent, a hierarchical multi-agent framework that serves as a strong baseline for constructing outlines, retrieving images, generating charts with traceable sources, and composing reports through context-aware sequential writing. We further develop a dual-path evaluation framework that combines Textual Assessment and Visual Assessment. Experiments across nine deep research systems show that TVIR-Agent achieves strong overall performance, underscoring the importance of explicit multimodal design and evaluation for evidence-driven report generation.

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

Clarify Before You Draw: Proactive Agents for Robust Text-to-CAD Generation

作者:
Bo Yuan↗Zelin Zhao↗Petr Molodyk↗Bin Hu↗Yongxin Chen↗

arXiv:2602.03045v2 Announce Type: replace Abstract: Large language models have recently enabled text-to-CAD systems that synthesize parametric CAD programs (e.g., CadQuery) from natural-language prompts. In practice, however, geometric descriptions can be under-specified or internally inconsistent: critical dimensions may be missing and constraints may conflict. However, existing fine-tuned models tend to reactively follow the user instructions and hallucinate dimensions when the text is ambiguous. To address this, we propose a proactive agentic framework for text-to-CadQuery generation, named as ProCAD, that resolves specification issues before code synthesis. Our framework pairs a proactive clarifying agent, which audits the prompt and asks targeted clarification questions only when necessary to produce a self-consistent specification, with a CAD coding agent that translates the specification into an executable CadQuery program. We fine-tune the coding agent based on a curated high-quality text-to-CadQuery dataset and train the clarifying agent via agentic SFT on clarification trajectories. Experiments show that proactive clarification significantly improves robustness to ambiguous prompts while keeping interaction overhead low. ProCAD outperforms frontier closed-source models, including Claude Sonnet 4.5, reducing the mean Chamfer distance by 79.9% and lowering the invalidity ratio from 4.8% to 0.9%. Our code and datasets are made publicly available on https://github.com/BoYuanVisionary/Pro-CAD.

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18.
arXiv (CS.CV) 2026-06-11

Moving Beyond Diffusion: Hierarchy-to-Hierarchy Autoregression for fMRI-to-Image Reconstruction

作者:
Xu Zhang↗Ruijie Quan↗Wenguan Wang↗Yi Yang↗

Reconstructing visual stimuli from fMRI signals is a central challenge bridging machine learning and neuroscience. Recent diffusion-based methods typically map fMRI activity to a single neural embedding, using it as static guidance throughout the entire generation process. However, this fixed guidance collapses hierarchical neural information and is misaligned with the stage-dependent demands of image reconstruction. In response, we propose MindHier, a coarse-to-fine fMRI-to-image reconstruction framework built on scale-wise autoregressive modeling. MindHier introduces three components: a Hierarchical fMRI Encoder to extract multi-level neural embeddings, a Hierarchy-to-Hierarchy Alignment scheme to enforce layer-wise correspondence with CLIP features, and a Scale-Aware Coarse-to-Fine Neural Guidance strategy to inject these embeddings into autoregression at matching scales. These designs make MindHier an efficient and cognitively aligned alternative to diffusion-based methods by enabling a hierarchical reconstruction process that synthesizes global semantics before refining local details, akin to human visual perception. Extensive experiments on the NSD dataset show that MindHier achieves superior semantic fidelity, 4.67$\times$ faster inference, and more deterministic results than the diffusion-based baselines.

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

Membership Inference Attacks against Large Audio Language Models

作者:
Jia-Kai Dong↗Yu-Xiang Lin↗Hung-Yi Lee↗

arXiv:2603.28378v2 Announce Type: replace-cross Abstract: We present the first systematic Membership Inference Attack (MIA) evaluation of LALMs. Using Multi-modal Blind Baselines based on textual, spectral and prosodic features, we demonstrate that common audio datasets exhibit near-perfect train/test separability (AUC ~ 1.0) even without model inference, thus MIA may primarily detect distribution shift. We therefore introduce a blind-baseline protocol to control for this confound. Under this protocol, we identify that the distribution-matched datasets enable reliable MIA evaluation without distribution-shift artifacts. We benchmark multiple MIA methods and conduct modality disentanglement experiments on these datasets. The results reveal that LALM memorization is cross-modal, arising only from binding a speaker's vocal identity with its text. These findings establish a principled standard for auditing LALMs beyond spurious correlations. Our codebase is available at https://github.com/snooow1029/ALM_MIA.

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20.
bioRxiv (Bioinfo) 2026-06-14

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

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

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

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21.
arXiv (CS.AI) 2026-06-12

Intelligence as Managed Autonomy: Failure, Escalation, and Governance for Agentic AI Systems

作者:
Srini Ramaswamy↗

arXiv:2605.27628v2 Announce Type: replace Abstract: As autonomous and agentic AI systems scale in robotic and human-machine environments, managing hallucination and persistent but unjustified action remains an open challenge. Rather than attributing these failures solely to model or alignment limitations, this paper explores the architectural vulnerability of unbounded autonomy - the presumption that an agent should continue operating regardless of rising uncertainty. It introduces a theory of managed autonomy that defines intelligent behavior through the formal capacity to detect epistemic drift, suspend reasoning, attempt recovery, and ultimately surrender control when reliability diminishes. We instantiate this theory via the SMARt (Self-Managing Multi-tier Autonomous Reasoning with Regulated/Revoked transitions) model, a four-layer framework featuring Stable, Meta-cognitive, Assisted, and Regulated states. By developing a timed, guarded Petri net formulation, we establish theoretically bounded properties for the system, demonstrating how architecture can formally mandate escalation, constrain invalid outputs, and ensure governance reachability under specified conditions. We further analyze how incorporating domain-specific trigger sets across varied operational settings (e.g., healthcare, robotics, etc.) can systematically preserve safety, assuming completeness and soundness criteria are met. Because these triggers are designed to be adaptive, the SMARt model accommodates the safe, controlled expansion of an agent's operational scope over time. We conclude that formalizing failure management within the autonomy lifecycle is a crucial step toward realizing reliable and governed artificial intelligence.

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22.
PLOS Computational Biology 2026-06-18

A comparison of contact patterns derived from the population structure in agent-based models and empirical contact survey data

作者:
Janik Suer↗

by Janik Suer, Johannes Ponge, Michael Brüggemann, Jan Pablo Burgard, Vitaly Belik, Bernd Hellingrath, Alejandra Rincón Hidalgo, Andrzej K. Jarynowski, Richard Pastor, Huynh Thi Phuong, Steven Schulz, Ashish Thampi, Chao Xu, Marlli Zambrano, Rafael Mikolajczyk, André Karch, Veronika K. Jaeger, on behalf of the OptimAgent Consortium Agent-based models (ABMs) are powerful tools for simulating disease spread, relying on individual-level interaction rules from which emergent dynamics arise. An important component in ABMs is contact behaviour. To reduce computational complexity, contact behaviour in ABMs is often assumed as random mixing within structurally defined settings (as, e.g., workplaces). with setting composition typically based on empirical data such as census information. However, the validity of this approach to represent contacts remains unclear. To address this gap, we compare the contact structure derived through this approach in a large-scale ABM with empirical contact survey data with respect to age contact matrices for households, schools, workplaces, all remaining contact settings, and all contacts combined (based on difference matrices and sum of squared errors (SSE)). Our results demonstrate that random mixing in settings with known age compositions like households (SSE:0.7(95%CI0.4–0.9)), schools (SSE:0.7(95%CI:0.3–1.1)) and workplaces (SSE:0.5(95%CI:0.2-0.7)), captures basic interaction patterns but fails to account for age-related variation in contact numbers. The largest differences arise for contacts outside these settings (SSE:3.8(95%CI:1.2–6.5)), as ABMs typically use random regional contacts that do not capture age-structured behaviour observed in contact surveys. Applying contact matrices from both approaches to an age-structured compartmental model, leads to noticeable differences in simulated epidemic outcomes regarding reproduction numbers and spreading dynamics between age groups. Our results suggest that naïve approaches to represent contact behaviour in ABMs based on population structure can be valid in settings with defined age-structures while settings with low a priori structure require more advanced methods to represent contact behaviour observed in contact surveys.

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23.
bioRxiv (Bioinfo) 2026-06-08

DipSkmer: Reference-free population genomics with diploid genome skims

作者:
Charvel↗Alves Monteiro↗H. J↗Mirarab↗Bafna↗

Ecologists and conservation biologists rely on genetic diversity as a key essential biodiversity variable (EBV) used to track population health and dynamics, and utilize the population parameter {theta} (estimated by the average pairwise genomic distance) as a key metric of diversity. While whole-genome-sequencing (wgs) is increasingly affordable, it will be considerable time before the full diversity of life is represented by high-quality assembled genomes; even then, constant monitoring will still require repeated sampling of populations. In contrast, genome skimming (low-coverage, short-read wgs) is highly cost-effective but challenging to analyze because the coverage is too low for assembly and reliable error correction. Mature methods, such as Mash, exist for estimating pairwise genomic distances based on the Jaccard similarity of k-mer sets computed using sketching techniques. Some, such as Skmer, additionally model the impacts of low coverage. These methods have been successfully applied to assembly-free species identification and phylogenetics; however, their use in population genetics has been limited. This is because these methods implicitly treat genomes as haploid and heterozygosity confounds true estimates of genomic distance for diploid organisms. In this paper, we address this problem through a number of technical advances. First, we use coalescent theory to mathematically derive how the Jaccard index between two diploid samples changes with the scaled population size parameter ({theta}). Next, we derive an estimator that computes {theta} from the Jaccard index, in addition to several auxiliary variables, which we also estimate from the genome skims. The resulting method, DipSkmer, enables more accurate estimates of coverage, sequencing error, and pairwise nucleotide distance for diploid samples. Analyses of both simulated and empirical datasets show that for diploids and low distances (e.g.,

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25.
arXiv (CS.LG) 2026-06-16

Multi-Scale Separable Fourier Neural Networks for Solving High-Frequency PDEs

作者:
Qihong Yang↗Qiaolin He↗

arXiv:2605.31027v2 Announce Type: replace Abstract: We propose a novel neural network architecture, termed Multi-Scale Separable Fourier Neural Networks (MS-SFNN), for the accurate and efficient solution of linear and nonlinear high-frequency partial differential equations (PDEs). MS-SFNN exploits a separable representation: given a $d$-dimensional input, it employs $d$ independent subnetworks – each acting on a single coordinate – and constructs basis functions via element-wise multiplication of their outputs. The PDE solution is approximated as a linear combination of these basis functions, with coefficients determined by least squares. Critically, all network weights and biases are randomly initialized once, from a uniform distribution with unit variance, and remain fixed thereafter. To enhance expressivity, a tunable scaling factor is introduced in each subnetwork to modulate the frequency content of the resulting basis functions. Fourier features are explicitly embedded through cosine activations, endowing the method with strong spectral approximation capabilities. To mitigate the memory bottleneck associated with dense collocation in high-frequency or three-dimensional problems, we replace automatic differentiation with analytically derived basis function derivatives and develop a memory-efficient batched QR decomposition algorithm for solving large-scale least-squares systems. Numerical experiments demonstrate that MS-SFNN achieves unprecedented accuracy across a range of challenging PDEs, significantly outperforming state-of-the-art methods such as Physics-Informed Neural Networks (PINN) and Separated-Variable Spectral Neural Networks (SV-SNN).

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