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01.
bioRxiv (Bioinfo) 2026-06-16

THEOBROMA: an aggregated open database of 1.13 million natural products with per-compound license auditing, three-tier classification, and stereochemistry-aware deduplication

作者:
Klamt↗Jaczkowski↗Franke↗Nejdl↗

Natural products remain one of the most productive sources of pharmacologically active compounds for drug discovery, yet the current open aggregator landscape attributes licenses at database rather than compound granularity, with consequences that have become tangible as the field grows. A recent relicensing event in one constituent source (the September 2024 transition of the Natural Products Atlas to CC BY-NC 4.0) demonstrates how database-level licensing propagates across an aggregate and motivates the per-compound audit framework presented here. The same peer cohort separately leaves classification provenance and stereoisomer-family relations coarser than either layer warrants. THEOBROMA, accessible at url{https://theobroma.l3s.uni-hannover.de}, integrates 1{,}133{,}004 natural products from 29 open sources under a per-compound license audit that resolves each compound's license tier across all attesting sources under a most-restrictive-wins rule, identifying 900{,}170 compounds (79.4%) under open-use licenses and exposing the per-source attestation chain and resolved tier through a dedicated audit endpoint and a query-time license filter. A three-tier classification stratifies 89.3% coverage into 35.1% curated, 43.9% high-confidence inferred, and 10.3% exploratory tiers, with 486{,}215 stereoisomer families preserved by full 27-character InChIKey deduplication and exposed via a dedicated texttt{/api/stereoisomers/} endpoint and a radial-family display. Per-compound license provenance is the primary differentiator. Classification stratification and stereoisomer-family exposure add finer-grained access to two related axes, supporting license-compatible virtual screening and isomer-specific bioactivity analysis at corpus scale. As an evolving open resource, THEOBROMA pairs continuous pipeline maintenance with interactive geographic, taxonomic, and chemical-space exploration.

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02.
arXiv (CS.CL) 2026-06-17

MemSlides: A Hierarchical Memory Driven Agent Framework for Personalized Slide Generation with Multi-turn Local Revision

作者:
Ye Jin↗Yangyang Xu↗Jun Zhu↗Yibo Yang↗

Personalized presentation generation requires more than conditioning on a current prompt or template: agents must preserve stable user preferences across tasks, retain newly introduced preferences and constraints during multi-turn revision, and carry out local edits reliably. We propose MemSlides, a hierarchical memory framework for personalized presentation agents that separates long-term memory from working memory and further divides long-term memory into user profile memory and tool memory. User profile memory stores intent-conditioned profiles for round-0 personalization, working memory carries active preferences and session constraints across revision rounds, and tool memory stores reusable execution experience for reliable localized editing. MemSlides pairs this memory design with scoped slide-local revision, so targeted updates act on the smallest affected region instead of repeatedly regenerating the full deck. In controlled experiments, user profile memory improves persona-alignment judgments on a multi-persona, multi-intent profile bank, tool-memory injection improves closed-loop modify behavior in diagnostic matched-pair settings, and qualitative cases illustrate working memory's ability to carryover preferences. Taken together, these results suggest that effective personalization in presentation authoring depends on separating persistent user profiles, session-level working memory, and reusable execution experience across generation and localized revision.

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03.
arXiv (CS.AI) 2026-06-17

A Machine-Learned Comorbidity Index

作者:
Suleman Baloch↗Kishlay Jha↗Alberto M. Segre↗Philip M. Polgreen↗Bijaya Adhikari↗

arXiv:2606.17450v1 Announce Type: new Abstract: Traditional comorbidity scores (e.g., Charlson and Elixhauser) are widely used for risk adjustment and patient stratification, but they have two key limitations: (i) they are largely mortality-centric and do not align well with other clinical outcomes, and (ii) their linear, rule-based structure cannot capture nonlinear, outcome-specific risk relationships. We propose a Machine-Learned Comorbidity Index (MLCI) that maps diagnosis codes to a single scalar by maximizing the normalized Hilbert-Schmidt Independence Criterion (nHSIC) between the learned score and multiple clinical outcomes. MLCI captures nonlinear risk-outcome dependence and is supported by a theory that characterizes when a unified, informative admission-level ordering can be achieved across outcomes. Empirical results on multiple benchmark electronic health record (EHR) datasets show that MLCI outperforms strong baselines across multiple evaluation metrics.

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

Sparse probes and murky physics: a case study of interpretability challenges in a foundation model for continuum dynamics

作者:
Katherine Rosenfeld↗Maike Sonnewald↗

arXiv:2606.11657v1 Announce Type: cross Abstract: Generative AI emulators are increasingly used in scientific domains where we already have strong theory, benchmarks, and physical intuition. This raises a central evaluation and interpretability question: when a foundation-style model can reproduce known continuum dynamics, what internal mechanism supports that behavior, is the internal behaviour consistent with known physics, and how does it relate to where the emulator succeeds or fails? We investigate a cross-domain foundation model for continuum dynamics, Walrus by Polymathic, using mechanistic interpretability guided by physical principles. We apply a sparse autoencoder (SAE) to probe a selected layer, and address the practical challenge of triaging a large feature set (over 20,000) using enstrophy as a physically grounded metric. As a deliberately simple testbed, we focus on shear flow and compare feature recruitment across multiple shear-flow setups, i.e. parameter values in the numerical simulation. Across setups we find evidence of piecewise consistency, with subsets of features recurring in similar roles, but this structure is intermittent and does not map cleanly onto standard physical decompositions. In parallel, direct comparisons between numerical simulation and the emulator reveal systematic output-level discrepancies, including regimes where energy/structures become too diffuse or too localized. We connect parts of these discrepancies to changes in specific SAE feature usage. Our work highlights open questions for scientific foundation models: how to robustly prioritize mechanistically meaningful features, how to separate stable structure from analysis artifacts (including single-layer and SAE limitations), and how to use established benchmarks to decide when "different" internal representations are genuinely informative rather than merely effective.

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

Data-Driven Decoding of Russell's Circumplex Model of Affect

作者:
Amdjed Belaref↗Samir Sadok↗Zineb Noumir↗Renaud Seguier↗

Affective computing increasingly relies on deep learning to represent emotions, yet latent spaces often remain opaque, high-dimensional black boxes. This paper investigates whether Transformers' embeddings recover the geometric regularities of Russell's circumplex model. We unify two complementary experiments testing the hypothesis that, after training models on text and speech, their resulting latent spaces encode a topology consistent with valence-arousal and reproduce human-like neighborhood relations. Specifically, we evaluate deep representations extracted from Transformer-based text (RoBERTa) and speech (wav2vec 2.0) encoders, along with a multimodal Transformer fusion architecture, across naturalistic datasets like MSP-Podcast and controlled LLM-generated stimuli. Our analysis reveals that multimodal fusion of text and audio yields perfect topological alignment with Russell's primary emotion ordering. Furthermore, in a zero-shot setting using generic text embeddings, projected fine-grained emotion terms fall close to their established human-mapped coordinates. Our contribution is a novel, data-driven framework for validating emotion models, demonstrating that Russell's circumplex structure is intrinsically encoded in the embeddings of these modalities rather than being solely an artifact of human labeling, thereby bridging the gap between psychological theory and representation learning.

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

Conformalized Quantum DeepONet Ensembles for Scalable Operator Learning with Distribution-Free Uncertainty

作者:
Purav Matlia↗Christian Moya↗Guang Lin↗

arXiv:2605.00330v2 Announce Type: replace Abstract: Operator learning enables fast surrogate modeling of high-dimensional dynamical systems, but existing approaches face two fundamental limitations: quadratic inference complexity and unreliable uncertainty quantification in safety-critical settings. We propose Conformalized Quantum DeepONet Ensembles, a framework that addresses both challenges simultaneously. By leveraging Quantum Orthogonal Neural Networks (QOrthoNNs), we reduce operator inference complexity from O(n^2) to O(n), enabling scalable evaluation over fine discretizations. To provide rigorous uncertainty quantification, we combine ensemble-based epistemic modeling with adaptive conformal prediction, yielding distribution-free coverage guarantees. A key challenge in ensembling is that naive parallelism scales hardware resources linearly with the number of models. We resolve this by using Superposed Parameterized Quantum Circuits (SPQCs), which compress multiple ensemble members into a single circuit and enable simultaneous multi-model execution. Experiments on synthetic partial differential equations and real-world power system dynamics demonstrate that our approach achieves accurate predictions while maintaining calibrated uncertainty under realistic quantum noise. These results establish a practical pathway toward scalable, uncertainty-aware operator learning in quantum machine learning.

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07.
arXiv (CS.LG) 2026-06-12

LongSpike: Fractional Order Spiking State Space Models for Efficient Long Sequence Learning

作者:
Xinrui He↗Qiyu Kang↗Xuhao Li↗Zheng-Jun Zha↗

arXiv:2606.12895v1 Announce Type: new Abstract: Spiking Neural Networks (SNNs) are well-regarded for their biological plausibility and energy efficiency in processing sequential data. However, dominant SNN architectures typically rely on first-order Ordinary Differential Equations (ODEs) to govern neuronal state transitions. This first-order assumption imposes a "memoryless" bottleneck, limiting the model's capacity to capture the complex, long-range dependencies inherent in long-sequence tasks. In this work, we propose LongSpike, a novel SNN framework that integrates fractional-order State-Space Modeling, or f-SSM, from control theory into the spiking domain. By extending traditional integer-order SSMs to the fractional-calculus regime, LongSpike enables the hierarchical integration of neuronal dynamics with long-memory kernels. To mitigate the computational overhead and parallelization challenges typically associated with fractional operators, we leverage a state-space formulation that supports efficient, parallel training. Empirical evaluations on challenging benchmarks, including Long Range Arena (LRA), large-scale WikiText-103, and Speech Commands, demonstrate that LongSpike outperforms state-of-the-art SNNs in accuracy while preserving sparse synaptic computation. The code is available at https://github.com/xinruihe389-commits/LongSpike.

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

Decoupling Search from Reasoning: A Vendor-Agnostic Grounding Architecture for LLM Agents

作者:
Emmanuel Aboah Boateng↗Kyle MacDonald↗Amardeep Kumar↗Siddharth Kodwani↗Sudeep Das↗

Production LLM agents increasingly depend on real-time search, yet native search grounding bundles retrieval policy, provider choice, evidence injection, cost, latency, and generation behavior behind a single model-provider boundary. This coupling makes grounding hard to inspect, tune, reuse, or port, and can trigger Search-Induced Verbosity that breaks strict output contracts. We present Decoupled Search Grounding (DSG), a vendor-agnostic boundary that moves grounding outside the reasoning model through an MCP-compatible gateway, exposing provider routing, source-aware context rendering, configured fallback, retrieval-depth control, and exact plus semantic caching as first-class controls. Across five frontier models on SimpleQA, FreshQA, and HotpotQA, native search leads on recency-sensitive FreshQA, but DSG exposes a stronger frontier when control matters: on SimpleQA it nearly matches native accuracy (86.1% vs. 87.7%) at 91% lower search cost, preserves concise answer contracts, and reaches a 99.4% warm-cache hit rate with 68% lower latency. Deployed as a shared production grounding layer for large-scale agentic workloads with interchangeable models, DSG matches or slightly exceeds native-search accuracy on an e-commerce query-understanding (QIU) workload while cutting search cost by over 98%. Real-time grounding is best treated as an optimizable interface boundary, not a fixed model feature.

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10.
arXiv (CS.LG) 2026-06-19

When Calibration Fails the Vulnerable Hospital: Federated Conformal Risk Control via Risk-Curve Shrinkage

作者:
Nafis Fuad Shahid↗

arXiv:2606.20115v1 Announce Type: new Abstract: Conformal risk control (CRC) provides distribution-free guarantees on segmentation quality by calibrating a prediction-set threshold on held-out data. In federated deployments, the standard approach pools calibration scores across sites into a single threshold. We provide the first quantification, on real multi-institutional brain tumor data (FeTS-2022, 1,251 subjects, 20 institutions), showing that this naive pooled CRC protects the average hospital but violates coverage at 40% of individual institutions, with the worst site exceeding the target false-negative rate by 7.8 percentage points. The naive alternative, per-site local CRC, largely restores coverage but inflates prediction sets by 83x, rendering them clinically useless. We propose a shrinkage-based federated CRC protocol: each site transmits only its empirical risk curve (G scalars) to a server, which computes a shrinkage-regularized threshold per site. A single hyperparameter n0 smoothly trades worst-case coverage for prediction-set efficiency; leave-one-site-out sensitivity analysis identifies n0=19, achieving 2.7/20 violations at 2.0x stretch. We further show that direct Lagrangian optimization of coverage budgets fails, concentrating risk on vulnerable hospitals, and that the finite-sample correction term is essential: removing it triples violations. The marginal CRC guarantee is preserved by construction under the stated site-mixture assumption; per-site coverage is validated across four targets with three seeds. No patient-level images, masks, or per-volume scores leave any site.

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11.
arXiv (quant-ph) 2026-06-12

Robust Pretty Good Measurement via Hybrid Classical-Quantum Pseudoinverse Approximation and Circuit-Level Realization

作者:
Bikash K. Behera↗Andr\'es Camilo Granda Arango↗Giuseppe Sergioli↗Roberto Giuntini↗

arXiv:2606.13150v1 Announce Type: new Abstract: Pretty Good Measurement (PGM) is a near-optimal strategy for quantum state discrimination, but its practical realization becomes unstable when the ensemble operator is singular or ill-conditioned. We introduce a numerically robust PGM formulation based on the Moore-Penrose pseudoinverse, replacing the standard inverse square root with a threshold-regularized variant that remains well-defined across different spectral regimes. We develop a hybrid classical-quantum framework that combines pseudoinverse-based spectral preprocessing with quantum circuit realizations using block-encoding and spectral-transformation techniques. The framework incorporates support awareness, yielding physically meaningful measurement operators even in rank-deficient cases, and employs oblivious amplitude amplification to improve circuit-level success probabilities. Extensive numerical and circuit-level simulations show close agreement between theoretical predictions and quantum circuit outputs. Experiments on synthetic and real datasets, including ill-conditioned and degenerate scenarios, demonstrate stable discrimination performance where standard PGM becomes numerically unstable. The results establish a practical hybrid classical-quantum framework for robust quantum state discrimination and extend previous circuit-based implementations of the PGM testing stage toward pseudoinverse-aware measurement design.

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

CogCanvas: A Benchmark for Evaluating Multi-Subject Reference-Based Image Generation

作者:
Long-Bao Nguyen↗Quang-Khai Tran↗Tam V. Nguyen↗Minh-Triet Tran↗Trung-Nghia Le↗

Multi-subject reference-based image generation requires jointly preserving multiple human identities, binding per-person objects and fashion items, and respecting a specified background scene, a regime where current diffusion models remain brittle. Existing benchmarks evaluate only one axis at a time and none jointly captures multi-identity composition with human-object interaction, background grounding, and spatial plausibility. We introduce CogCanvas, a benchmark of 1,952 curated reference images spanning 100 celebrity identities, 115 distinctive objects and fashion items, and 29 real-world background scenes including landmarks, from which we construct 1,361 compositional prompts covering 2-5 person group sizes. The curation pipeline combines DINOv2-based deduplication, two-stage aesthetic filtering, and automated derivation of structured interaction and position graphs that serve as ground-truth supervision. CogCanvas supports three tasks, reference-based multi-human-object generation (primary), text-to-image compositional generation, and reference retrieval, under a unified six-axis evaluation protocol. We introduce two metrics tailored to the multi-reference setting: BG-Sim, which scores background fidelity on SAM 3-masked regions via DINOv3 feature similarity, and Attr-VQA, which uses a multimodal LLM to verify per-subject attribute binding and inter-person interactions against the structured graphs. Benchmarking five SOTA methods reveals that every model degrades substantially as group size grows from 2 to 5, with near-complete failure on object/fashion binding beyond three subjects.

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13.
arXiv (CS.LG) 2026-06-19

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

作者:
Fang Wang↗Paolo Ceravolo↗Ernesto Damiani↗

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

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

Learning from the Self-future: On-policy Self-distillation for dLLMs

作者:
Yifu Luo↗Zeyu Chen↗Haoyu Wang↗Xinhao Hu↗Yuxuan Zhang↗Zhizhou Sha↗Shiwei Liu↗

On-policy self-distillation (OPSD) has proven effective for post-training large language models (LLMs), yet its application to diffusion LLMs (dLLMs) remains unexplored. Existing OPSD methods are inherently autoregressive-centric. They inject privileged information via left-to-right prefix conditioning with token-level divergence supervision, a design that fundamentally conflicts with the arbitraryorder generation of dLLMs. We introduce d-OPSD, the first OPSD framework tailored for dLLMs. Our approach makes two core contributions. First, we reframe self-teacher construction by using self-generated answers as suffix conditioning, enabling the student model to learn from "self future-experience" rather than privileged prefixes. Second, we shift supervision from token-level to step-level, aligning training with the iterative denoising process of dLLMs. Experiments across four reasoning benchmarks show that d-OPSD consistently outperforms RLVR and SFT baselines with superior sample efficiency, requiring only around 10% of the optimization steps by RLVR and opening a promising pathway for dLLM posttraining. The code is available at https://github.com/xingzhejun/d-OPSD.

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

ToaSt: Token Channel Selection and Structured Pruning for Efficient ViT

作者:
Hyunchan Moon↗Cheonjun Park↗Steven L. Waslander↗

Vision Transformers (ViTs) have achieved remarkable success across various vision tasks, yet their deployment is often hindered by prohibitive computational costs. While structured weight pruning and token compression have emerged as promising solutions, they suffer from prolonged retraining and inter-layer dependencies that complicate optimization, respectively. We propose ToaSt, a decoupled framework applying specialized strategies to distinct ViT components. We apply coupled head-wise structured pruning to Multi-Head Self-Attention modules, leveraging attention operation characteristics to enhance robustness. For Feed-Forward Networks (over 60% of FLOPs), we introduce Token Channel Selection (TCS), a training-free method that filters redundant noise channels at inference time. Extensive evaluations across nine diverse models, including DeiT, ViT-MAE, and Swin Transformer, demonstrate that ToaSt achieves superior trade-offs between accuracy and efficiency, consistently outperforming existing baselines. On ViT-MAE-Huge, ToaSt achieves 88.52% accuracy (+1.64%p) with 39.4% FLOPs reduction. ToaSt also transfers effectively to diverse downstream tasks (COCO detection, ADE20K segmentation, CIFAR-100 classification), achieving 52.2 versus 51.9 mAP on COCO. Code: github.com/SHANNonLab-HUFS/ToaSt

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

Machine Learning and the Random Walk Puzzle: Forecasting the CAD/USD Exchange Rate with Expanding Window Evaluation and SHAP Interpretability

作者:
Louis Agyekum↗Edmund Fosu Agyemang↗Obu-Amoah Ampomah↗Kofi Acheampong↗Emmanuel Boadi↗Priscilla Yaa Amakye↗Fafa Shalom Tchorly↗Enock Adu Bonsu↗Eric Nyarko↗

arXiv:2606.15058v1 Announce Type: new Abstract: This study examines whether machine learning (ML) models can outperform the naive random walk benchmark in forecasting the monthly USD/CAD exchange rate. Using daily data from the Bank of Canada spanning January 2017 to May 2026, resampled into 113 monthly observations, five ML models are evaluated: linear regression, random forest, gradient boosting, XGBoost, and AdaBoost. These models are benchmarked against the naive random walk model and exponential smoothing with Holt-Winters seasonality (ETS). All models are evaluated using an expanding-window framework to maintain strict out-of-sample integrity, and forecast-accuracy differences are assessed using the Diebold-Mariano (DM) test. Structural break detection identifies four significant breakpoints in the series, corresponding to the escalation of the US-China trade war in 2018, the COVID-19 economic recovery in 2020, the peak of the Bank of Canada rate-hiking cycle in 2022, and the start of the Bank of Canada rate-cutting cycle in 2024. SHAP, or Shapley Additive Explanations, analysis is applied to interpret the drivers of the best-performing ML model. The results show that the naive random walk model remains a formidable benchmark. Linear regression is the only model that statistically outperforms the naive random walk model, with a DM statistic of 3.0585 and a p value of 0.0071, whereas the ML ensemble models show only marginal differences. Random Forest with an expanding-window framework achieves the lowest MAPE of 1.17 percent among all models except the random walk. SHAP analysis confirms that short-term lags, particularly lag1 and lag2, and recent rolling means dominate predictions, consistent with the near-random-walk behavior of exchange rates.

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

SIMBA: ABidirectional Retrieval Forward Simulation Framework for Modeling FY-4A GIIRS Hyperspectral Infrared Radiances Toward NWP Applications

作者:
Jingdong Shen↗Fu Wang↗Qifeng Lu↗Hao Huang↗Chunqiang Wu↗Chi Yang↗Xiaofang Liu↗

arXiv:2606.19943v1 Announce Type: cross Abstract: Hyperspectral infrared observations are an important data source for numerical weather prediction (NWP) because they provide rich information on the vertical structure of atmospheric temperature and humidity. However, most existing deep learning methods mainly focus on one-way retrieval from radiances to atmospheric profiles, while the reverse radiance simulation process and the consistency between atmospheric state space and radiance observation space are insufficiently considered. In this study, we propose SIMBA, a unified bidirectional retrieval-forward simulation framework for FY-4A GIIRS hyperspectral infrared radiance modeling toward NWP applications. The framework jointly performs atmospheric profile retrieval and radiance reconstruction, introduces a cycle-consistency constraint to strengthen the coupling between the two processes, and employs a bidirectional Mamba state-space module to capture long-range dependencies along pressure levels. Using collocated FY-4A GIIRS observations and ERA5 reanalysis data, the proposed method is evaluated for temperature retrieval, specific humidity retrieval, long-wave radiance reconstruction, and medium-wave radiance reconstruction. Experimental results show that SIMBA outperforms several representative deep learning baselines across both retrieval and reconstruction tasks, while ablation experiments confirm the contribution of the bidirectional design and cycle-consistency mechanism. These results demonstrate that the proposed framework is effective for joint atmospheric profile retrieval and hyperspectral infrared radiance modeling, and suggest potential for future Jacobian-related analysis and NWP-oriented extensions.

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18.
arXiv (CS.CV) 2026-06-17

Attention Sinks in Diffusion Transformers: A Causal Analysis

作者:
Fangzheng Wu↗Brian Summa↗

Attention sinks – tokens that receive disproportionate attention mass – are assumed to be functionally important in autoregressive language models, but their role in diffusion transformers remains unclear. We present a causal analysis in text-to-image diffusion, dynamically identifying dominant attention recipients per timestep and suppressing them via paired, training-free interventions on the score and value paths. Across 553 GenEval prompts on Stable Diffusion~3 (with SDXL corroboration), removing these sinks does not degrade text-image alignment (CLIP-T) or preference proxies (ImageReward, HPS-v2) at $k{=}1$; only under stronger interventions ($k\!\geq\!10$) does HPS-v2 exhibit a metric-dependent boundary, while CLIP-T remains robust throughout. The perceptual shifts induced by suppression are nonetheless sink-specific – $\sim\!6\times$ larger than equal-budget random masking – revealing an empirical dissociation between trajectory-level perturbation and semantic alignment in diffusion transformers. \footnote{Code available at https://github.com/wfz666/ICML26-attention-sink.}

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

Decoding the Multimodal Maze: A Systematic Review on the Adoption of Explainability in Multimodal Attention-based Models

作者:
Md Raisul Kibria↗S\'ebastien Lafond↗Janan Arslan↗

arXiv:2508.04427v2 Announce Type: replace-cross Abstract: Multimodal learning has witnessed remarkable advancements in recent years, particularly with the integration of attention-based models, leading to significant performance gains across a variety of tasks. Parallel to this progress, the demand for explainable artificial intelligence (XAI) has spurred a growing body of research aimed at interpreting the complex decision-making processes of these models. This systematic literature review analyzes research published between January 2020 and early 2024 that focuses on the explainability of multimodal models. Framed within the broader goals of XAI, we examine the literature across multiple dimensions, including model architecture, modalities involved, explanation algorithms and evaluation methodologies. Our analysis reveals that most studies are concentrated on vision-language and language-only models, with attention-based techniques being the most commonly employed for explanation. However, these methods often fall short in capturing the full spectrum of interactions between modalities, a challenge further compounded by the architectural heterogeneity across domains. Importantly, we find that evaluation methods for XAI in multimodal settings are largely non-systematic, lacking consistency, robustness, and consideration for modality-specific cognitive and contextual factors. To address these gaps, we not only synthesize findings from the surveyed works but also incorporate a complementary analysis that integrates recent and emerging advances driving multimodal explainability. Based on these insights, we provide a comprehensive set of recommendations aimed at promoting rigorous, transparent, and standardized evaluation and reporting practices in multimodal XAI research. Our goal is to support future research in more interpretable, accountable, and responsible multimodal AI systems, with explainability at their core.

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20.
arXiv (CS.CV) 2026-06-17

Colab NAS: Obtaining lightweight task-specific convolutional neural networks following Occam's razor

作者:
Andrea Mattia Garavagno↗Daniele Leonardis↗Antonio Frisoli↗

The current trend of applying transfer learning from convolutional neural networks (CNNs) trained on large datasets can be an overkill when the target application is a custom and delimited problem, with enough data to train a network from scratch. On the other hand, the training of custom and lighter CNNs requires expertise, in the from-scratch case, and or high-end resources, as in the case of hardware-aware neural architecture search (HW NAS), limiting access to the technology by non-habitual NN developers. For this reason, we present ColabNAS, an affordable HW NAS technique for producing lightweight task-specific CNNs. Its novel derivative-free search strategy, inspired by Occam's razor, allows to obtain state-of-the-art results on the Visual Wake Word dataset, a standard TinyML benchmark, in just 3.1 GPU hours using free online GPU services such as Google Colaboratory and Kaggle Kernel.

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21.
arXiv (CS.AI) 2026-06-19

A Tool for the Synthesis of Adaptive Probabilistic Processors Based on the Ising Model

作者:
Jonathan Juracy Carneiro da Silva↗Leonardo R. Gobatto↗Jose Rodrigo Azambuja↗

arXiv:2606.19533v1 Announce Type: cross Abstract: This work presents a tool for the synthesis and simulation of probabilistic architectures for solving combinatorial optimization problems by mapping them to the Ising model. The proposed approach automatically constructs the Ising Hamiltonian and determines the number of probabilistic elements (p-bits) based on problem characteristics such as size and topology. Furthermore, the tool introduces an adaptive strategy for selecting the most suitable update algorithm among Gibbs Sampling, Simulated Annealing (SA), Simulated Quantum Annealing (SQA), and cluster-based methods. Experimental results using benchmark problems demonstrate improved convergence behavior and flexibility compared to fixed approaches. The proposed framework enables systematic evaluation of probabilistic computing strategies and supports the development of future hardware implementations based on MTJs and p-bits.

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22.
arXiv (CS.CV) 2026-06-16

Transformation-driven generation of comparable projection images from multimodal anatomical scenes

作者:
Dariusz Pojda↗Krzysztof Domino↗Micha{\l} Tarnawski↗Agnieszka Anna Tomaka↗

This work addresses the computational problem of generating reproducible projection-space observations from heterogeneous anatomical scenes whose components may undergo independent spatial transformations. We propose a transformation-driven framework for synthetic projection imaging from multimodal anatomical data and demonstrate it on mandibular-motion scenarios. In contrast to conventional Digitally Reconstructed Radiograph (DRR) approaches primarily designed for registration, projection realism, or rendering efficiency, the proposed formulation treats projection imaging as an observation process operating on an explicitly represented anatomical scene. Independently transformable volumetric and surface-based anatomical objects are embedded within a shared scene representation and propagated directly into projection space through explicit transformations. Projection geometry, acquisition modelling, material interpretation, and image presentation remain explicitly separated, enabling controlled exploration of methodological assumptions while preserving reproducibility and direct comparability between generated projections. Particular emphasis is placed on transformation-driven anatomical scenarios relevant to craniofacial analysis, including mandibular motion and therapeutic repositioning. Using a shared anatomical reference scene composed of CT/CBCT volumes, segmented structures, surface models, and auxiliary anatomical or therapeutic objects, the framework enables generation of directly comparable VirtualRTG projections from multiple anatomical configurations while preserving identical imaging assumptions. Rather than aiming at fully physically faithful radiographic simulation, the proposed approach provides a controllable and reproducible methodological environment for studying anatomy–projection relationships, motion observability, and transformation-aware imaging workflows.

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23.
arXiv (CS.LG) 2026-06-15

When Language Representations Interact: Separability and Cross-Lingual Effects in LLMs

作者:
Boris Marinov↗Angira Sharma↗Christian Schroeder de Witt↗Philip Torr↗Anisoara Calinescu↗Jialin Yu↗

arXiv:2606.14347v1 Announce Type: new Abstract: Large language models exhibit strong multilingual capabilities, however, their internal representations are difficult to interpret. Understanding these interactions is important for ensuring reliable behavior in multilingual systems. Recent work has shown that causal-geometric structure can explain how certain concepts are encoded as approximately linear and separable directions, but whether this framework extends to multilingual models, where language identity is correlated and hierarchical, is underexplored. We apply causal-geometric analysis to multilingual LLMs, studying 28 bilingual contrasts across three models, allowing us to analyze when languages behave as approximately independent factors and when structured dependencies persist. We find evidence that language concepts admit stable linear representations that are largely separable under a covariance-adjusted (causal) inner product, with structured deviations reflecting linguistic similarity. Moreover, languages within the same family (such as Germanic or Romance) exhibit a simplex-like geometric structure, suggesting hierarchical organization. These results extend causal-geometric interpretability to multilingual settings and provide insight into how separability and similarity may exist in multilingual LLM representations, motivating interpretability analyses that diagnose when and how structured dependencies between concepts can be anticipated. This has implications for trustworthy deployment, as residual structure between languages may lead to unintended cross-lingual effects when models are monitored or intervened upon.

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24.
arXiv (CS.CL) 2026-06-18

Efficient Hallucination Detection for LLMs Using Uncertainty-Aware Attention Heads

作者:
Artem Vazhentsev↗Lyudmila Rvanova↗Gleb Kuzmin↗Ekaterina Fadeeva↗Ivan Lazichny↗Alexander Panchenko↗Maxim Panov↗Mrinmaya Sachan↗Preslav Nakov↗Timothy Baldwin↗Artem Shelmanov↗

While large language models (LLMs) have become highly capable, they remain prone to factual inaccuracies, commonly referred to as "hallucinations." Uncertainty quantification (UQ) offers a promising way to mitigate this issue, but most existing methods are computationally intensive and/or require supervision. In this work, we propose Recurrent Attention-based Uncertainty Quantification (RAUQ), an unsupervised and efficient framework for identifying hallucinations. The method leverages an observation about transformer attention behavior: when incorrect information is generated, certain "uncertainty-aware" attention heads tend to reduce their focus on preceding tokens. RAUQ automatically detects these attention heads and combines their activation patterns with token-level confidence measures in a recurrent scheme, producing a sequence-level uncertainty estimate in just a single forward pass. Through experiments on twelve datasets spanning question answering, summarization, and translation across nine different LLMs, we show that RAUQ consistently outperforms state-of-the-art UQ baselines. Importantly, it incurs minimal overhead, requiring less than 1\% additional computation. Since it requires neither labeled data nor extensive parameter tuning, RAUQ serves as a lightweight, plug-and-play solution for real-time hallucination detection in white-box LLMs.

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25.
arXiv (CS.AI) 2026-06-11

A Survey on Evaluating Quality and Trustworthiness in LLM-Generated Data

作者:
Kaituo Zhang↗Mingzhi Hu↗Hoang Anh Duy Le↗Fariha Kabir Torsha↗Zhimeng Jiang↗Minh Khai Bui↗Chia-Yuan Chang↗Yu-Neng Chuang↗Zhen Xiong↗Ying Lin↗Guanchu Wang↗Na Zou↗…

arXiv:2601.17717v3 Announce Type: replace Abstract: Large Language Models (LLMs) have emerged as powerful tools for generating data across various modalities. By transforming data from a scarce resource into a controllable asset, LLMs mitigate the bottlenecks imposed by the acquisition costs of real-world data for model training, evaluation, and system iteration. However, ensuring the high quality of LLM-generated synthetic data remains a critical challenge. Existing research primarily focuses on generation methodologies, with limited direct attention to the quality of the resulting data. Furthermore, most studies are restricted to single modalities, lacking a unified perspective across different data types. To bridge this gap, we propose the LLM Data Auditor framework. In this framework, we first describe how LLMs are utilized to generate data across six distinct modalities. More importantly, we systematically categorize intrinsic metrics for evaluating synthetic data from two dimensions: quality and trustworthiness. This approach shifts the focus from extrinsic evaluation, which relies on downstream task performance, to the inherent properties of the data itself. Using this evaluation system, we analyze the experimental evaluations of representative generation methods for each modality and identify substantial deficiencies in current evaluation practices. Based on these findings, we offer concrete recommendations for the community to improve the evaluation of data generation. Finally, the framework outlines methodologies for the practical application of synthetic data across different modalities.

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