News & Research

arXiv:2605.26183v1 Announce Type: cross Abstract: Graph Neural Networks (GNNs) have emerged as a structurally natural approach for molecular toxicity prediction, operating directly on atomic connectivity without the information loss inherent to fixed-length fingerprints. However, the fraction of a drug's known pharmacological profile that is actually encodable in its molecular structure remains systematically underexplored. This study addresses this question through a systematic case study using acetylsalicylic acid (ASA, Aspirin) - one of the most comprehensively characterized drugs in pharmacology - as a model compound. A Message Passing Neural Network (MPNN) is trained on the Tox21 benchmark and GNNExplainer is applied to characterize atom-level attribution. Results indicate that molecular structure explains approximately 45% (5/11) of known ASA adverse effects. A four-category Gap Taxonomy (GAP-1 through GAP-4) is introduced distinguishing between principally non-encodable effects,

arXiv:2508.03774v5 Announce Type: replace-cross Abstract: Accurate modeling of scattering from three-dimensional (3D) perfectly electrically conducting (PEC) targets at microwave frequencies constitutes a fundamental objective in computational electromagnetics, particularly for radar cross section (RCS) prediction and microwave scattering analysis. Classical solvers, such as the method of moments and the Multilevel Fast Multipole Algorithm (MLFMA), although provide high physical fidelity, they become costly under scenarios of repeated queries involving many incidence configurations or frequencies, whereas purely data-driven surrogates often lack accuracy on geometrically complex targets. This paper proposes a U-shaped physics-informed artificial neural network (U-PINet) for 3D microwave scattering analysis. Inspired by the near-far field decomposition of MLFMA, U-PINet combines a near-field graph encoder, parameterized by learnable univariate basis functions, with a hierarchical multi-

arXiv:2512.14140v2 Announce Type: replace Abstract: Sketch editing requires jointly handling high-level semantic changes and precise local redrawing, a combination that is particularly challenging for sparse, style-sensitive line art. Unlike natural images, sketches rely on minimal visual cues, making it difficult for existing methods to reconcile global semantic modifications with fine-grained structural control while preserving overall coherence. We present SketchAssist, an interactive sketch assistant that unifies instruction-guided editing with line-guided region redrawing, enabling efficient and controllable sketch manipulation while preserving overall composition. To support this task, we introduce a controllable data generation pipeline that constructs structured edit sequences with precise attribute variations and maintains structural alignment across multi-step modifications, while expanding stylistic diversity via style-preserving transformations. Building on this data, Sketc

arXiv:2603.01327v2 Announce Type: replace-cross Abstract: Large language models (LLMs) exhibit strong performance on self-contained programming tasks. However, they still struggle with repository-level software engineering (SWE), which demands (1) deep codebase navigation with effective context management for accurate localization, and (2) systematic approaches for iterative, test-driven code modification to resolve issues. To address these challenges, we propose SWE-Adept, an LLM-based two-agent framework where a localization agent identifies issue-relevant code locations and a resolution agent implements the corresponding fixes. For issue localization, we introduce agent-directed depth-first search that selectively traverses code dependencies. This minimizes issue-irrelevant content in the agent's context window and improves localization accuracy. For issue resolution, we employ adaptive planning and structured problem solving. We equip the agent with specialized tools for progress t

arXiv:2605.26689v1 Announce Type: new Abstract: Modern referring image segmentation pipelines couple a vision-language model (VLM) for grounding with a promptable segmenter such as the Segment Anything Model (SAM) for mask generation. Prior training-free instances of this recipe consistently trail fine-tuned and reinforcement-learning (RL)-tuned specialists, and it has been unclear whether the gap comes from the VLM's grounding, SAM's capacity, or the prompt. We show that the gap is dominated by prompt ambiguity: a VLM-proposed bounding box (bbox) leaves SAM to guess which pixels inside the bbox belong to the object the expression denotes. Interior points are the natural disambiguator, but where they fall matters; prior work relies on naively sampled points that land on boundaries, distractors, and background clutter, and can even hurt performance compared to the bbox alone. Supervised and RL-tuned methods close this gap by training a VLM to predict better points; we show that this tra

arXiv:2605.26641v1 Announce Type: new Abstract: Unified multimodal embedding spaces have become the standard interface for cross-modal retrieval and multimodal RAG, and recent audio-video-text (AVT) encoders extend this setting to three modalities. Such encoders can produce a joint (T,V,A) embedding whenever all three modalities are available, but standard pairwise InfoNCE objectives leave this signal unused during training. We close this gap with fusion-as-teacher distillation, which treats a stop-gradient copy of the fused embedding as a teacher signal for the single-modal embeddings, paired with a Tuple-InfoNCE term that supervises the fused embedding directly. We instantiate this objective as OmniRetriever-7B. Across six zero-shot retrieval benchmarks, OmniRetriever-7B surpasses the closed-source Gemini Embedding 2 by 13.3-18.0 R@1 on Clotho and SoundDescs, and reaches the contemporary zero-shot specialist band of open video-text encoders on MSR-VTT and MSVD. To stress-test joint r

arXiv:2601.18381v2 Announce Type: replace Abstract: To facilitate the transformation of legacy finite difference implementations into the Devito environment, this study develops an integrated AI agent framework. Retrieval-Augmented Generation (RAG) and open-source Large Language Models are combined through multi-stage iterative workflows in the system's hybrid LangGraph architecture. The agent constructs an extensive Devito knowledge graph through document parsing, structure-aware segmentation, extraction of entity relationships, and Leiden-based community detection. GraphRAG optimisation enhances query performance across semantic communities that include seismic wave simulation, computational fluid dynamics, and performance tuning libraries. A reverse engineering component derives three-level query strategies for RAG retrieval through static analysis of Fortran source code. To deliver precise contextual information for language model guidance, the multi-stage retrieval pipeline perfor

arXiv:2605.27331v1 Announce Type: new Abstract: Competition law experts conducting legal research must review extensive volumes of cases, decisions, and judicial reports to identify precedents and assess key elements in competition and merger cases. Although general research assistants such as Claude and ChatGPT and legal assistants such as SaulLM-7B and LegalGPT are increasingly used to assist legal research, they remain inadequate for competition law analysis: they lack specialized domain expertise, provide insufficient official citations, or hallucinate competition law cases. We propose Maat, a ReAct agent that orchestrates tools corresponding to different tasks of the research process. Designed iteratively with competition law experts, Maat grounds cases and findings in official sources using RAG for reliability, provides rich in-line citations, falls back to web search when database coverage is insufficient, and prompts the user for clarification when queries are ambiguous. Maat s

arXiv:2302.13473v2 Announce Type: replace Abstract: Federated learning (FL) enables multiple data owners to build machine learning models collaboratively without exposing their private local data. In order for FL to achieve widespread adoption, it is important to balance the need for performance, privacy-preservation and interpretability, especially in mission critical applications such as finance and healthcare. Thus, interpretable federated learning (IFL) has become an emerging topic of research attracting significant interest from the academia and the industry alike. Its interdisciplinary nature can be challenging for new researchers to pick up. In this paper, we bridge this gap by providing (to the best of our knowledge) the first survey on IFL. We propose a unique IFL taxonomy which covers relevant works enabling FL models to explain the prediction results, support model debugging, and provide insights into the contributions made by individual data owners or data samples, which in

arXiv:2605.26908v1 Announce Type: new Abstract: Exploiting the indistinguishability of objects in a probabilistic graphical model such as a factor graph is key to lifted probabilistic inference algorithms and allows for tractable probabilistic inference problems with respect to domain sizes. A central building block for the exploitation of indistinguishable objects in factor graphs is the identification of commutative factors, i.e., factors whose output values are invariant under permutations of input values assigned to a subset of their arguments. In this paper, we revisit the theoretical foundations underlying the state-of-the-art algorithm to detect commutative factors. Specifically, we show that in its current form, the state-of-the-art algorithm relies on a central theorem that is mistakenly regarded as a sufficient condition to identify commutative factors, while it actually only implies necessary condition. Consequently, the state of the art might, as we show in this paper, deli

arXiv:2605.27254v1 Announce Type: cross Abstract: Selecting which instances to label is a key challenge in low-label tabular learning. For recent Tabular Foundation Models such as TabPFN, context selection directly determines predictive performance. Supervised oracle experiments show that carefully chosen labeled context sets can strongly outperform random selection under the same labeling budget. However, the cold-start setting, where instances must be selected before any labels are available, has received little attention in the TFM literature. This problem is fundamentally geometric. In vision and language, foundation models induce embedding spaces where simple geometric selection methods are effective. In contrast, tabular instance selection has so far been performed predominantly in the original tabular space, which lacks a natural metric; heterogeneous types, mixed scales, and nonlinear interactions make raw-space distances unreliable for context construction, and original-space

arXiv:2509.15121v2 Announce Type: replace-cross Abstract: We investigate a WIMP dark matter (DM) candidate in the form of a singlino-dominated lightest supersymmetric particle (LSP) within the $Z_3$-symmetric Next-to-Minimal Supersymmetric Standard Model (NMSSM). This framework gives rise to regions of parameter space where DM is obtained via co-annihilation with nearby higgsino-like electroweakinos and DM direct detection~signals are suppressed, the so-called ``blind spots''. On the other hand, collider signatures remain promising due to enhanced radiative decay modes of higgsinos into the singlino-dominated LSP and photons, rather than into leptons or hadrons. Compared to MSSM scenarios with light bino- and wino-like electroweakinos, the NMSSM allows for final states with multiple photons arising from cascade radiative decays, providing a distinctive collider signature. This motivates searches for radiatively decaying neutralinos, however, these signals face substantial background ch

arXiv:2605.27155v2 Announce Type: replace-cross Abstract: Testing object detectors in safety-critical domains requires semantically meaningful probes beyond pixel-level corruptions. We present SemProbe, a tool for semantic robustness probing: users upload deployment images, create masks manually or automatically, select operational design domain-derived factors (or custom prompts), and run diffusion-based controlled inpainting. The system supports batch jobs, parallel seed/workflow variations, and configurable generation parameters. After each output, model inference runs automatically and displays annotated before/after comparisons with performance deltas. All probes are logged as structured artifacts, enabling traceable robustness evidence aligned with safety evaluation workflows. We demonstrate \textsc{SemProbe} on hand detection for dimension saws, targeting factors from insurance-oriented test criteria.

arXiv:2512.21602v3 Announce Type: replace-cross Abstract: Every year, millions of patients pass through emergency departments and intensive care units, where clinicians must make high-stakes decisions under time pressure and uncertainty. Machine learning could support prediction of deterioration, triage, and rare critical outcomes, but clinical data are often severely imbalanced, biasing models toward majority classes and reducing predictive performance. Developing robust and efficient models for imbalanced clinical tabular data therefore remains an important challenge. We evaluated six model families on imbalanced tabular data from the MIMIC-IV-ED and eICU databases: Decision Tree, Random Forest, XGBoost, TabNet, TabICL, and TabPFN v2.6. Trainable models were optimized using Bayesian hyperparameter tuning, while foundation models were evaluated in their pretrained inference regime without task-specific reweighting. Models were assessed using Macro F1-score, robustness to increasing im

arXiv:2605.26241v1 Announce Type: new Abstract: Success in generative modeling across language, image, and video demonstrates that large, well-curated datasets are the key driver for building capable models. 3D Human motion, however, has lagged behind, constrained by an unsatisfying choice between small, high-fidelity motion capture datasets and large-scale in-the-wild collections dominated by static or low-quality sequences. We introduce RoMo, a rich, large-scale, carefully curated dataset of in-the-wild human motions that resolves these tradeoffs. To ensure quality, we introduce a taxonomy-aware filtering pipeline that aggressively removes static and artifact-prone sequences. Every sequence is annotated with detailed captions and organized by a novel three-level semantic taxonomy. This hierarchical structure enables fine-grained, per-category evaluation, that reveals model strengths and weaknesses obscured by global metrics. We demonstrate that models trained on RoMo achieve state-of