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01.
arXiv (CS.CL) 2026-06-24

NatureBench: Can Coding Agents Match the Published SOTA of Nature-Family Papers?

We introduce NatureBench, a cross-discipline benchmark of 90 tasks distilled from peer-reviewed Nature-family publications, designed to evaluate whether AI coding agents can move beyond reproduction toward discovery on real scientific problems. NatureBench is built on NatureGym, an automated pipeline that constructs a standardized, per-task containerized environment from a source paper, addressing the environment-fragmentation problem that has limited the credibility of prior agent-on-research benchmarks. Evaluating ten frontier agent configurations under a strict web-search-disabled protocol, we find that the strongest model surpasses SOTA on only 17.8% of tasks under the g>0.1 criterion. Analysis of method pathways reveals that agents succeed primarily through methodological translation, converting scientific tasks into familiar supervised prediction problems, rather than through genuine scientific invention. Failures are dominated by wrong method choice and insufficient compute budget, not by task misunderstanding. We release the benchmark, the NatureGym pipeline, and a public leaderboard with maintainer-side reproduction. Code: https://github.com/FrontisAI/NatureBench

02.
arXiv (CS.CL) 2026-06-16

AuAu: A Benchmark for Auditing Authoritarian Alignment in Large Language Models

The worldwide surge of authoritarianism, combined with the increasing central role in users' everyday lives, raises the question of to what extent specific models exhibit or promote authoritarian attitudes and characteristics. We introduce AuAu, a comprehensive benchmark that aims to assess the risk of LLMs generating responses with authoritarian tendencies. This benchmark combines three evaluation approaches: (i) psychometric questions from an extensive pool of 15 human validated instruments; (ii) contextual behavior vignettes probing intended actions in concrete situations; and (iii) responses to realistic user prompts. Unlike prior work, AuAu evaluates not only a general closeness towards authoritarianism but also the established sub-concepts Authoritarian Aggression, Authoritarian Submission, and Conventionalism. Evaluating 17 models from China, the EU, Russia, and the USA, we find that all tested models exhibit substantial authoritarian response rates under the psychometric evaluation, though rates drop significantly in increasingly more realistic downstream task. We further find that an authoritarian system prompt easily manipulates 15 out of 17 models to promote increased authoritarianism. Our results underscore the need for continued, systematic auditing of LLM-based AI systems to detect and ultimately mitigate undesired authoritarian tendencies in generated output. Our code and data are available at: https://github.com/andreaseinwiller/AuAu

03.
arXiv (CS.AI) 2026-06-12

SciR: A Controllable Benchmark for Scientific Reasoning in LLMs

arXiv:2606.13020v1 Announce Type: new Abstract: Three paradigmatic forms of inference recur across scientific reasoning: deduction, induction, and causal abduction. Reliably evaluating LLMs on these in scientific settings is currently out of reach: scientific benchmarks built on human annotations are costly and lack mechanistic ground truth, while synthetic logical-reasoning benchmarks do not resemble real scientific documents. We introduce SciR, a benchmark that combines multi-paradigm reasoning with controllable scientific rendering, anchored on three paradigmatic scientific problems. Tasks are generated from formal objects (deduction tree, inductive rule hypothesis, causal graph) to guarantee verifiable answers, then rendered into multi-document scientific discourse via per-track domain-tuned genres. The construction lets us independently vary two difficulty axes: how hard it is to extract the key information needed for inference, and how hard the principled inference itself is. We test six models. Both axes hurt every model, and their effects compound. The rendering even hurts neurosymbolic pipelines, which hand inference to a verified solver. The two axes yield a per-model extraction-vs-inference profile: for instance, reasoning models like deepseek-r1 mostly surpass non-reasoning instruct models on the inference axis. To our knowledge, SciR is the first multi-paradigm scientific-reasoning benchmark with parametric control on both extraction and inference difficulty.

04.
arXiv (math.PR) 2026-06-16

Excursion Fluctuations and Spectral Universality in Gaussian Fields

arXiv:2606.15630v1 Announce Type: new Abstract: We study the large-scale spatial fluctuations of excursion volumes for a class of smooth stationary Gaussian fields. In the case of Berry's random wave model in dimension $d \geq 2$, we show that the spatial fluctuations for fixed $u>0$ converge to the fractional Gaussian field $(-\Delta)^{-1/4}W$ in the space of tempered distributions $\mathcal S'(\mathbb{R}^d)$, where $W$ is the $d$-dimensional Gaussian white noise. This explains the long-range correlations in the apparent filament structure of the Random Plane Wave model. For a class of smooth planar Gaussian fields whose spectral density has a power-law singularity at the origin, we prove convergence to fractional Gaussian fields with an index determined by the singularity exponent. More generally, the results illustrate that, for stationary random measures, large-scale spatial fluctuations are determined by the behaviour of the spectral measure density exponent near zero.

05.
arXiv (CS.CV) 2026-06-24

SENTRY: SAM2-Enhanced Neighbor-Aware and Temporally Reasoned Memory for Visual Tracking

We revisit the memory update mechanism in SAM2-based visual object tracking and identify confidence-only mask selection as the dominant cause of drift under occlusion, rapid motion, and distractors. We introduce SENTRY, a training-free, plug-and-play, refine-before-write module that validates each memory update for short-horizon temporal consistency before committing it. SENTRY aggregates diverse segmentation hypotheses per frame, backtracks them into short tracklets, and uses neighbor-aware cycle-consistent matching against recent trajectories to favor temporally and geometrically consistent masks. It leaves the base architecture untouched, replacing confidence-driven writes with consistency-validated ones. For fair evaluation, we re-evaluate major open-source SAM2-based trackers across all available scales and datasets, filling gaps in prior reports. Integrated into five strong baselines, SENTRY delivers consistent gains across nine benchmarks, achieving new zero-shot SOTA on LaSOT, LaSOT_ext, GOT-10k, VOT20, VOT22, and DiDi. Despite these checks, the SAM2-L version runs at 32.8 FPS on an A100, and across compatible hosts adds only about 0.4–0.6 GB VRAM. Our results provide the first unified all-scale evaluation of SAM2-based trackers and show that enforcing temporal validity at write time stabilizes memory-augmented tracking without retraining.

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

Toward Simultaneously Optimal Regret in U-Calibration

arXiv:2606.18527v1 Announce Type: cross Abstract: U-calibration studies online forecasting algorithms whose predictions can be consumed by any unknown downstream agent, guaranteeing sublinear regret simultaneously for all proper loss functions. Existing U-calibration algorithms achieve worst-case optimal $O(\sqrt{T})$ regret for every bounded proper loss, but they fail to adapt to easier losses: as we show, even for smooth losses such as squared loss, they incur $\Omega(\sqrt{T})$ regret instead of the optimal $O(\log T)$ regret. In this work, we show that this limitation is not inherent. Specifically, we design a single forecast algorithm that simultaneously achieves $\tilde O(\sqrt{T})$ regret for every bounded proper loss and $O(\log T)$ regret for every bounded smooth proper loss. More generally, our algorithm also attains logarithmic regret for losses that are smooth relative to the log-barrier, which include several non-Lipschitz examples. Our approach is based on a novel variant of Follow-the-Perturbed-Leader (FTPL) in which perturbations are applied directly in the prediction space using self-concordant noise. The resulting analysis also departs substantially from prior FTPL analyses due to the complex nature of this noise and may be of independent interest.

07.
arXiv (CS.LG) 2026-06-17

A Closer Look at Failure Modes in Temporal Understanding of Large Audio-Language Models

arXiv:2606.17417v1 Announce Type: cross Abstract: Large Audio Language Models (LALMs) achieve strong performance on a variety of audio understanding tasks but continue to struggle with temporal reasoning, a fundamental capability central to human auditory perception. Understanding the causes of these failures remains challenging as existing benchmarks report performance gaps without probing underlying mechanisms. To address this, we introduce a benchmark with 1,657 questions across three foundational tasks designed specifically for mechanistic analysis. Examining model outputs across varying input settings (behavioral analysis) reveals that models often under-utilize audio when textual cues are available. We also provide the first causal mechanistic analysis of temporal reasoning failures in LALMs. Comparing attention upweighting against scaling, we find that redistributing attention across audio tokens is more effective than increasing audio attention. Targeting task-relevant tokens yields further gains. These findings suggest that modality imbalance alone cannot explain failures. Attention scaling at bottleneck layers improves accuracy from 55.9% to 59.1% without fine-tuning, demonstrating a promising direction for future work.

08.
arXiv (CS.AI) 2026-06-18

Benchmarking Action Spaces in Reinforcement Learning for Vision-based Robotic Manipulation

arXiv:2606.18594v1 Announce Type: cross Abstract: In real-world reinforcement learning (RL), the choice of action space can play a key role in shaping motion smoothness, safety, and overall task performance. In this study, we evaluate pose increment, pose velocity, joint position increment, and joint velocity across two vision-based manipulation tasks: object picking and pushing. We train policies in simulation and deploy them to the real world using sim-to-real transfer. We find that action-space representation indeed significantly affects sim-to-real performance. In particular, we find that the joint velocity action space is best for the vision-based picking and pushing tasks in terms of smoothness and final task performance. We also provide practical guidance for RL practitioners in choosing action spaces for both simulation and real-world experiments.

09.
arXiv (CS.CV) 2026-06-25

MVTrack4Gen: Multi-View Point Tracking as Geometric Supervision for 4D Video Generation

Synthesizing a novel-view video from a monocular reference video along a target camera trajectory requires both geometric consistency and motion fidelity with respect to the reference video. Existing methods based on explicit 3D representations are limited by the accuracy of off-the-shelf reconstruction modules, which often produce inaccurate geometry for dynamic objects in monocular videos. In contrast, camera-conditioning-only methods can achieve high visual quality but often struggle to preserve geometric and motion consistency. In this work, we introduce MVTrack4Gen (Multi-View point Tracking for Novel-View Generation), a motion-aware training framework that leverages multi-view point tracking as an additional geometric and motion supervision signal for camera-conditioning-only novel-view video diffusion models. Our key finding is that specific attention layers encode strong correspondence cues, where query features attend to key features at geometrically corresponding locations across views and over time, and the misalignment of these correspondences causes motion inconsistency. Based on this observation, we route these features into an auxiliary multi-view tracking head and jointly train the diffusion model with a point-tracking objective. By explicitly strengthening these motion-aware correspondences, MVTrack4Gen improves existing models to better follow the motion in the reference view and maintain cross-view geometric consistency. Across diverse benchmarks, our method achieves state-of-the-art geometric consistency and competitive camera accuracy.

10.
arXiv (CS.CL) 2026-06-11

APEX: Automated Prompt Engineering eXpert with Dynamic Data Selection

Large Language Models are highly sensitive to prompt formulation, necessitating automatic prompt optimization to unlock their full potential. While evolutionary algorithms have emerged as the dominant paradigm, they suffer from a critical bottleneck: data efficiency. Current methods treat the development dataset as a static benchmark, wasting significant compute budget on uninformative data. In this work, we introduce APEX (Automatic Prompt Engineering eXpert), a novel framework that optimizes the data usage alongside the prompt search. APEX dynamically stratifies the dataset into Easy, Hard, and Mixed tiers based on the optimization lineage. By prioritizing the Mixed tier, which identifies the data where the LLM has mixed performance, we identify two high-leverage subsets: the addressable frontier for generating informative mutations and the rank-sensitive frontier for distinguishing candidate quality. We evaluate APEX across three diverse benchmarks: IFBench, SimpleQA Verified, and FACTS Grounding. Under a fixed budget of 5,000 evaluation calls, due to its data efficiency, APEX outperforms the initial prompt by an average of 11.2% on Gemini 2.5 Flash and 6.8% on Gemma 3 27B, demonstrating that a data-centric approach is key to efficient and effective prompt optimization.

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

BiWM: Advancing Open-Source Interactive Video World Models with Bidirectional Autoregression

Transitioning bidirectional video diffusion models into an autoregressive paradigm improves the interactivity of video world models, but existing causal pipelines need many stages (control fine-tuning, autoregressive training, causal initialization, few-step distillation) and still trail bidirectional models in quality due to error accumulation. Recent world models such as Yume-1.5 and Matrix-Game-3.0 instead adopt a bidirectional autoregressive approach, gaining fidelity and stable long-horizon rollout from self-correcting error propagation, yet open-source frameworks (e.g., minWM) support only causal models. We present BiWM, the first full-stack framework for interactive video world models under the bidirectional autoregressive paradigm, jointly optimizing generation quality and inference speed. From a pretrained video backbone, BiWM injects camera control by fine-tuning, then runs a few-step Distribution Matching Distillation (DMD) stage that turns the backbone into an action/camera-controllable world model: just two training stages instead of four in minWM, converging in a few hundred steps on 8xH200 GPUs. A single recipe spans Wan2.1-1.3B, Wan2.2-5B, HunyuanVideo-1.5-8B, and LTX-2.3-22B, and also supports secondary fine-tuning of existing bidirectional models. BiWM enables real-world camera control where minWM loses controllability, integrates pluggable history compression (FramePack-style and PackForcing-style) for long rollouts, and offers an optional NVFP4 4-bit training/inference pipeline. To counter DMD's mode-seeking degradation, we add GAN and mass-covering forward-KL objectives that preserve scene dynamics. We open-source BiWM for resource-constrained research and high-fidelity environment simulation.

12.
arXiv (CS.CL) 2026-06-18

PragReST: Self-Reinforcing Counterfactual Reasoning for Pragmatic Language Understanding

Natural language understanding often depends on meanings that are implied rather than explicitly stated, requiring pragmatic reasoning. Despite strong performance on math and logical reasoning, large language models (LLMs) still struggle with making pragmatic inferences, often choosing literal interpretations. To improve LLM pragmatic reasoning, we introduce PragReST, a self-supervised framework that constructs pragmatic QA data, generates counterfactual reasoning traces, and trains models to internalize them through supervised fine-tuning and reinforcement learning, without human-labeled training data or distillation from a stronger teacher. Across four pragmatic benchmarks (PragMega, Ludwig, MetoQA, and AltPrag), PragReST improves over backbone models, task-specific pragmatic tuning baselines, and non-counterfactual variants of the same pipeline. On accuracy-based benchmarks, PragReST improves over the instruct backbone by 5.37 and 5.50% (absolute) for Qwen3-8B and Qwen3-14B, respectively. Our error analysis and ablations underscore the importance of counterfactual reasoning: PragReST primarily reduces errors caused by failures to contrast observed utterances with plausible alternatives, and removing counterfactual reasoning substantially reduces performance. Moreover, our training preserves out-of-domain performance on general-knowledge and mathematical reasoning benchmarks.

13.
arXiv (CS.AI) 2026-06-24

TACTFUL: Tactile-Driven Exploration For Object Localization and Identification in Confined Environments

arXiv:2606.24712v1 Announce Type: cross Abstract: Humans effortlessly locate and identify objects by touch alone, even without vision. In contrast, robotic systems rely heavily on vision and struggle with autonomous tactile exploration and object identification. We present TACTFUL, a vision-free tactile exploration framework that enables a multi-fingered robot to autonomously explore confined workspaces, discover objects through contact, and identify them via tactile reconstruction. Trained entirely on real hardware without simulation, our system learns a single policy that balances global workspace exploration with local surface refinement through a dynamic reward schedule. Our results demonstrate that tactile sensing, when paired with structured learning, can serve as an effective primary modality for object-level reasoning, achieving 77% success with 0.015 m average reconstruction error and outperforming baseline approaches on real-world objects.

14.
arXiv (CS.CV) 2026-06-16

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

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.

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

SEAGAN: domain-Specific and Edge-Aware Graph Attention Network for Dynamic Plant Processes

arXiv:2606.19623v1 Announce Type: new Abstract: Graph neural networks (GNNs) provide a flexible framework for learning from scientific data linked through physical, biological, or functional relationships. One promising domain is plant physiology, where measured responses often arise from multiple interacting processes whose exact separation remains difficult even with manual intervention. In plant physiology, a key example is the A-Ci curve, which relates net CO2 assimilation rate (Anet) to leaf intercellular CO2 concentration (Ci) and is used to estimate photosynthetic parameters in leaf and crop-canopy models. However, reliable estimation requires identifying the active biochemical limitation state at each curve point, which remains a major source of uncertainty. Here, we formulate limitation-state identification along A-Ci curves as a graph-based node classification problem, with curve points as nodes. Domain-specific graph representations are created using distance-based k-nearest-neighbor (kNN) and auxiliary-signal-guided (ASG) connectivity, with edge attributes encoding pairwise relations. The framework was evaluated against conventional learning baselines, graph-based architectures, and an automated fitting-based benchmark. Results on a large synthetic dataset with known ground-truth limitation states show that graph-based models improve classification, particularly near biochemical transition regions. The best-performing configuration, SEAGAN (domain-Specific and Edge-Aware Graph Attention Network for Dynamic Plant Processes), integrates process-aware node features, edge attributes, kNN connectivity, and graph attention with weighted cross-entropy loss, achieving an F1-score of 0.857 and an accuracy of 0.882. The results show that representing A-Ci curves as graphs improves biochemical limitation-state analysis, with edge-aware attention over local kNN neighborhoods providing the most effective strategy.

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

Variational Autoencoder Layer

Authors:

arXiv:2606.25900v1 Announce Type: new Abstract: Variational Autoencoders (VAEs) belong to a family of autoencoders with probabilistic properties, making them well suited for generating data by producing a smooth and continuous latent space. Despite being introduced over a decade ago, the method continues to be widely adopted in both research and industry for diverse applications. While VAEs are typically used as standalone models, this paper introduces a novel approach to integrate them as a neural network layer. Furthermore, a new training strategy is proposed for models incorporating these layers, and their performance is thoroughly analyzed.

17.
arXiv (CS.AI) 2026-06-25

Tracking Large-scale Shared Bikes with Inertial Motion Learning in GNSS Blocked Environments

arXiv:2605.07412v2 Announce Type: replace-cross Abstract: Although Global Navigation Satellite Systems (GNSS) provide a general solution for bike tracking outdoors, there still exist complex riding environments where only inertial navigation systems work, such as urban canyons. Despite decades of research, localization using only low-cost inertial sensors still faces challenges such as cumulative drifts and poor robustness caused by filtering methods. Furthermore, sensors such as visual and LiDAR could provide reliable measurements, but they are not suitable for large-scale deployment. In this paper, we propose an inertial tracking framework that integrates bicycle mechanical constraints with a mixture-of-experts model. Specifically, we leverage multiple expert modules to capture shared representations and weight them through the gating mechanism, thus improving multi-task learning performance and enabling uncertainty-aware trajectory estimation. Furthermore, based on the mechanical transmission between the pedal and the rear wheel of a bike, we explore the intrinsic relationship between the rider's periodic pedalling behaviors and acceleration variations, and convert such patterns into bike's wheel speed for dynamic calibration. Experiments with real-world riding data from shared bikes of the DiDi ride-hailing platform demonstrate that our system improves the accuracy of baselines by at least 12%, with wheel speed errors below 0.5 m/s at 95-percentile.

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

Low-Burden Data Augmentation for Dysarthric ASR via Zero-Shot Voice Cloning

arXiv:2606.19823v1 Announce Type: cross Abstract: Automatic speech recognition remains unreliable for dysarthric speech due to data scarcity and high inter-speaker variability. While synthetic data can address these gaps, traditional methods often require extensive speaker-specific data, reintroducing the collection bottleneck. We investigate zero-shot voice cloning as a low-burden augmentation strategy, using Higgs Audio V2 to clone speakers in the TORGO dataset. We fine-tune (FT) Whisper-medium on cloned, real, and hybrid data and evaluate on held-out real speech. Compared to the zero-shot (31.62%), Clone FT achieved a competitive 26.00% WER, nearly matching the 24.44% and 25.12% seen with Real and Hybrid FT, respectively. Notably, Clone and Hybrid FT outperform Real FT for moderate-severe speakers. Clone FT achieves the best results (11.45% relative) in cross-corpus evaluation on the SAP-1102. These results suggest that zero-shot cloning provides scalable training data that circumvents the costly data collection bottleneck.

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

Remote sensing data imputation using deep learning for multispectral imagery

Remote sensing techniques have been increasingly utilised in aquatic applications in recent years. A common challenge in using optical satellite data is the presence of missing observations due to cloud cover. These data gaps can lead to missed detection of critical events, such as algal blooms, in lakes of high interest to water authorities. As a result, enhancing the completeness of optical satellite datasets is crucial for improving the monitoring and prediction of algal blooms. In this study, we compared a traditional data imputation method (i.e., linear interpolation) with deep learning models for reconstructing missing spectral bands across four lakes with historical records of algal blooms. The deep learning models adopted include CNN-based architectures (i.e., CNN, Inception Resnet, and Autoencoder) and CNN-LSTM-based architectures (i.e., CNN-LSTM, Resnet-LSTM, and Autoencoder-LSTM). Our results demonstrated that deep learning models substantially outperformed the baseline linear interpolation method in imputing spectral band values within artificially masked regions. Among these models, CNN delivered the best performance across most lakes. Furthermore, we evaluated the performance of algal bloom indices (i.e., Green/Red and NDCI) derived from the imputed imagery by comparing them with the observed data. Our results demonstrate that deep learning models are effective for imputing missing data in PlanetScope SuperDove imagery, enabling more reliable applications in water monitoring.

20.
arXiv (CS.CL) 2026-06-16

SAAS: Self-Aware Reinforcement Learning for Over-Search Mitigation in Agentic Search

Agentic search enables LLMs to solve complex multi-hop questions through iterative reasoning and external search. Despite the effectiveness, these systems often suffer from a critical limitation in practice: agents fail to recognize their own knowledge boundaries, blindly triggering searches when internal knowledge suffices and failing to terminate search even when adequate evidence has been collected. The lack of self-awareness leads to severe over-search, incurring substantial inference latency and prohibitive computational cost. To this end, we propose SAAS, a novel RL framework designed to cultivate dynamic self-awareness that precisely regulates search behavior without compromising accuracy. SAAS introduces three key components: (i) a search boundary modeling mechanism, which identifies the search boundary under the evolving policy by contrasting search-disabled and search-enabled rollouts; (ii) a boundary-aware reward module, which translates this boundary awareness into trajectory-level penalties, suppressing unnecessary and redundant searches; and (iii) a stage-wise optimization strategy, which leverages a sequential curriculum to prioritize reasoning over search regularization, thereby avoiding reward hacking. Extensive experiments demonstrate that SAAS substantially reduces over-search, while maintaining accuracy. Our code and implementation details are released at https://github.com/XMUDeepLIT/SAAS.

21.
arXiv (CS.LG) 2026-06-25

ConSolv: Solvent-Conditional Machine Learning Implicit Solvent Potential

arXiv:2606.24983v1 Announce Type: cross Abstract: Implicit solvent machine learning potentials (MLPs) offer a powerful route to bridging the gap between accuracy and efficiency in molecular simulations. However, existing models have largely focused on aqueous environments, overlooking the diverse and important roles of non-aqueous solvents in areas such as organic synthesis and battery technology. Here, we present ConSolv, a solvent-conditional MLP architecture that explicitly incorporates solvent effects on solute interactions through an attention-based solvent-embedding block. By combining experimental solvation free energy data with ab initio data, we train a single implicit solvent MLP that is transferable across 66 common organic solvents. ConSolv outperforms classical explicit solvent methods and selected ab initio implicit solvent approaches across multiple solvation free energy benchmarks, and demonstrates generalization to unseen solvents. Beyond solvation free energies, the model shows close agreement with experimental nuclear magnetic resonance (NMR) data for $\gamma$-fluorohydrin molecules in chloroform. ConSolv's architecture is readily extensible to broader chemical spaces and alternative training strategies, while its attention-based design supports explainable artificial intelligence (AI) analysis that can help elucidate complex, solvent-dependent molecular interactions.

22.
arXiv (CS.AI) 2026-06-17

FllumaOne: A Code-Native Multimodal CAD Dataset with Executable Programs and Kernel-Validated Feature Histories

Authors:

arXiv:2606.17696v1 Announce Type: new Abstract: Parametric computer-aided design records both final geometry and the ordered construction history that determines how a part can be edited. Datasets for editable CAD research should therefore expose modeling operations, parameters, and feature dependencies together with validated geometry. We introduce FllumaOne, a code-native multimodal CAD dataset whose models are generated by executable Python programs in Flluma, a Qt/C++ OpenCASCADE-based CAD system. Each sample aligns its program with a structured feature tree, a training-oriented intermediate representation, STEP geometry, a surface point cloud, natural-language descriptions, metadata, and eight canonical visible-edge renderings. The primary release, FllumaOne-100K, contains 100,000 accepted samples across four template-level complexity regimes. Programs are executed and retained only after kernel geometry, solid validity, and export checks; release reports also record modality completeness and split-level duplicate tests. A Qwen2.5-Coder-1.5B LoRA baseline trained on 80,000 samples achieves 99.98% Python syntax validity, 99.97% Flluma build success, and 99.14% STEP-export validity on the held-out 10,000-sample test split. For the 9,909 predictions converted to surface point clouds, the mean normalized Chamfer Distance is 0.002124. The dataset supports conditioned CAD reconstruction, executable program synthesis, feature-tree prediction, B-Rep analysis, retrieval, design completion, and editable reverse engineering.

23.
arXiv (CS.CV) 2026-06-25

Hypergraph Normal World Models for Logical Visual Anomaly Detection

Visual anomaly detection is often deployed with only normal training images. Most one-class detectors map test patches or features to a normal reference distribution. This works well for local structural defects. Logical anomalies are different. Each visible part may look normal, while the whole image violates a normal count, co-occurrence, or spatial relation. This paper studies whether a model can learn such a category-specific normal world from nominal images alone. We propose the Hypergraph Normal World Model, a normal-only detector that distills frozen DINOv2 patch tokens into patch, relation, and hypergraph statistics. It builds spatial hyperedges over token groups. It then scores each test image with an information quotient that separates local, relational, hyperedge, and hyperedge-relation evidence. On the available MVTec LOCO breakfast-box validation data, the full hypergraph model improves logical anomaly AUROC from 0.8434 for DINOv2 patch-kNN to 0.9279. It also improves over the non-hypergraph variant, from 0.9013 to 0.9279. Few-shot experiments show that the model remains effective with very limited normal images. We also test whether the score reflects normal-world knowledge rather than a shallow mapping. t-SNE separates logical anomalies in the learned energy space. Relation counterfactuals increase the information quotient by 83.13 on average. Random hypergraphs reduce logical AUROC, and hyperedge attribution is much larger on logical anomalies. Qualitative examples show that high scores are driven by relation-bearing terms. These results suggest that logical visual anomaly detection should model normal relations, not only normal local patches.

24.
medRxiv (Medicine) 2026-06-22

Between Patterns and Predictions: Interpretable Latent EEG Representations for Clinical Insights

Electroencephalography (EEG) captures rich brain dynamics, yet in clinical practice this complexity is often reduced to simplified summaries or categorical labels, limiting its interpretability for decision-making. We tested the hypothesis that a pretrained latent embedding framework, the Universal Map of EEG (UM-EEG), can preserve clinically meaningful structure across heterogeneous datasets and provide a generalizable representation of brain states. We applied UM-EEG, without retraining, to three independent cohorts spanning distinct clinical contexts: long-term EEG recordings from cardiac arrest patients (n = 576), subarachnoid hemorrhage (n = 100), and routine clinical EEG recordings containing physiological and pathological patterns (n = 141). EEG segments were projected into a shared 128-dimensional space anchored by expert-derived reference states, including wakefulness, sleep stages, ictal-interictal continuum activity, and burst suppression. Across datasets, favorable outcome or physiological recordings were consistently located closer to healthy reference states, whereas poor outcome and pathological recordings shifted toward pathological regions of the embedding space. Trajectory-derived geometric and temporal features discriminated outcome in cardiac arrest (ROC-AUC 0.83) and subarachnoid hemorrhage (ROC-AUC 0.76), and distinguished physiological from pathological routine EEGs (ROC-AUC 0.93). In routine EEG, similarity relationships derived from embedding trajectories correlated with those derived from structured clinical reports, indicating that the latent space recapitulates clinically relevant organization. These findings show that a fixed, semantically structured EEG embedding generalizes across etiologies and recording settings, enabling prognostic stratification and contextual interpretation while preserving the relational structure of brain states.

25.
arXiv (CS.AI) 2026-06-17

Treatment Response Optimized Clinical Decision Support AI System via Digital Twin Simulation

arXiv:2606.17405v1 Announce Type: new Abstract: Clinical decision support AI systems (CDSASs) must adapt to evolving patient conditions in real-time while adhering to strict safety constraints. We present an online adaptive framework that integrates Treatment Effect (TE) estimation to quantify clinical benefits, a patient Digital Twin (DT) to simulate treatment trajectories, and Reinforcement Learning (RL) for sequential decision-making. The AI system is initially trained on historical medical records and operates in a continuous learning loop. To ensure safety, a rule-based module monitors vital signs and blocks contraindicated treatments. Cases with strong internal model disagreement are flagged for clinician review, simulated in our experiments via a pre-trained outcome model. We validate our framework using both a synthetic clinical simulator and a real-world ovarian cancer dataset from The Cancer Genome Atlas (TCGA). In both simulated and clinical settings, our method demonstrated superior effectiveness and stability in recommending treatments compared to standard computational baselines. Furthermore, the AI system maintains low latency and requires expert consultation for only a minority of cases in our experimental validation, demonstrating its potential as a safe, clinician-supervised tool for personalized medicine that continuously improves through practical use.