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01.
arXiv (CS.CV) 2026-06-11

From Correspondence to Actions: Human-Like Multi-Image Spatial Reasoning in Multi-modal Large Language Models

While multimodal large language models (MLLMs) have made substantial progress in single-image spatial reasoning, multi-image spatial reasoning, which requires integration of information from multiple viewpoints, remains challenging. Cognitive studies suggest that humans address such tasks through two mechanisms: cross-view correspondence, which identifies regions across different views that correspond to the same physical locations, and stepwise viewpoint transformation, which composes relative viewpoint changes sequentially. However, existing studies incorporate these mechanisms only partially and often implicitly, without explicit supervision for both. We propose Human-Aware Training for Cross-view correspondence and viewpoint cHange (HATCH), a training framework with two complementary objectives: (1) Patch-Level Spatial Alignment, which encourages patch representations to align across views for spatially corresponding regions, and (2) Action-then-Answer Reasoning, which requires the model to generate explicit viewpoint transition actions before predicting the final answer. Experiments on three benchmarks demonstrate that HATCH consistently outperforms baselines of comparable size by a clear margin and achieves competitive results against much larger models, while preserving single-image reasoning capabilities.

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

OpenMedReason: Scientific Reasoning Supervision for Medical Vision-Language Models

High-stakes clinical use of large vision-language models (LVLMs) requires reasoning that is grounded in visual evidence and clinical knowledge, not just correct final answers. We introduce OpenMedReason, a large-scale, open multimodal medical reasoning corpus comprising approximately 450K image-question-answer instances whose reasoning traces are primarily derived from curated biomedical, human-authored scientific articles. OpenMedReason provides high-fidelity supervision beyond synthetic chains of thought, covering diverse medical domain vision modalities such as radiological scans, microscopic images, visible light photographs, charts, and others. We complement it with OpenMedReason-Bench, a held-out benchmark that allows fine-grained evaluation of LVLMs along three complementary axes of capability, including perception, medical knowledge, and rationale, enabling diagnostic evaluation beyond final-answer accuracy. OpenMedReason is a rich training resource that exhibits its effectiveness in both supervised fine-tuning (SFT) and reinforcement-based alignment. Training with OpenMedReason yields a 20% average improvement in VQA accuracy over the base model and achieves performance within 4.2% of the strongest comparable-scale medical LVLMs. Fine-grained performance analysis confirms that the gains are not concentrated in any single axis: OpenMedReason improves perception, medical knowledge, and rationale jointly, and its reasoning traces are preferred over those of the base model in 86.1% of pairwise comparisons. We release the code and dataset at huggingface.co/datasets/neginb/OpenMedReason.

03.
arXiv (CS.AI) 2026-06-11

Autoregressive Direct Preference Optimization

arXiv:2602.09533v2 Announce Type: replace Abstract: Direct preference optimization (DPO) has emerged as a promising approach for aligning large language models (LLMs) with human preferences. However, the widespread reliance on the response-level Bradley-Terry (BT) model may limit its full potential, as the reference and learnable models are assumed to be autoregressive only after deriving the objective function. Motivated by this limitation, we revisit the theoretical foundations of DPO and propose a novel formulation that explicitly introduces the autoregressive assumption prior to applying the BT model. By reformulating and extending DPO, we derive a novel variant, termed Autoregressive DPO (ADPO), that explicitly integrates autoregressive modeling into the preference optimization framework. Without violating the theoretical foundations, the derived loss takes an elegant form: it shifts the summation operation in the DPO objective outside the log-sigmoid function. Furthermore, through theoretical analysis of ADPO, we show that there exist two length measures to be considered when designing DPO-based algorithms: the token length $\mu$ and the feedback length $\mu'$. To the best of our knowledge, we are the first to explicitly distinguish these two measures and analyze their implications for preference optimization in LLMs.

04.
arXiv (CS.LG) 2026-06-18

Towards Anomaly Detection on Relational Data

arXiv:2606.18621v1 Announce Type: new Abstract: Relational databases are widely used for managing structured data in real-world systems. Detecting anomalies from such relational data is crucial for identifying fraud, risks, and abnormal behaviors, yet remains under-explored. The key challenges lie in the intrinsic complexity of relational data: multi-table attributes are high-dimensional and heterogeneous, making sparse abnormal clues easy to overwhelm by normal or irrelevant information; and anomalies may further manifest as abnormal connection patterns across different foreign-key relations, which existing tabular and graph anomaly detection methods are ill-suited to capture. To address them, we propose RelAD, a reconstruction-based framework that captures anomalies from both attribute and relational edge reconstruction. RelAD contains two core modules: conditional sparse-gated attribute reconstruction, which suppresses redundant multi-table attributes and emphasizes abnormal semantic blocks, and dual-view multi-relational edge reconstruction, which detects relation-specific abnormal connections from both intrinsic and behavioral entity profiles. The resulting attribute and relational signals are integrated through a lightweight fusion module to produce the final anomaly score. We further construct 6 benchmark datasets with systematic anomalies, on which extensive experiments show that RelAD consistently outperforms other baselines while achieving competitive efficiency.

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

PhysGuard: Fisher-Guided Gradient Projection for Sim-to-Real Neural PDE Surrogates

arXiv:2606.16602v1 Announce Type: new Abstract: Neural operator models trained on simulation data often lose accuracy when applied to experimental measurements due to the sim-to-real gap. Standard fine-tuning with limited real data can reduce this gap, but it may also damage the core physics-relevant representations learned during pretraining. Although knowledge-preserving adaptation has been widely investigated in vision or language tasks, it remains unclear whether these methods are suitable for neural operators whose architectures and protected knowledge are fundamentally different. Neural operators need to preserve core-scale physical structures rather than semantic or visual features. We propose PhysGuard, a physics-preserving framework for accurate sim-to-real adaptation of neural operators. Specifically, PhysGuard uses the empirical Fisher Information Matrix computed on simulation data to identify physics-critical parameter directions, then restricts fine-tuning updates to directions that do not interfere with them. A layer-wise Gram-matrix formulation makes this efficient for models with millions of parameters, while an adaptive threshold automatically determines the protected subspace size. A spectral probe experiment shows that the dominant Fisher directions are strongly associated with low-frequency output structures. Experiments on benchmark across four neural operator architectures and different physical systems show that PhysGuard performs strongly on most evaluation metrics compared to baselines. The benefits are most evident under severe domain shift, where it reduces low-frequency error by up to 32\% compared to standard fine-tuning while maintaining adaptability. Our code is available at https://github.com/ZhouChaunge/PhysGuard.

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

Knowledge Graph Enhanced Memory-Augmented Retrieval for Long Context Modeling

Long-context language modeling requires not only extending context windows but maintaining coherent understanding of entity states and relationships across thousands of tokens – a challenge that semantic similarity alone cannot address. KGERMAR addresses this by constructing dynamic, context-specific knowledge graphs from input text during inference, enabling domain-adaptive retrieval that leverages both semantic similarity and explicit entity relationships. The framework performs real-time entity and relation extraction to build contextual knowledge graphs, then integrates graph-structural embeddings with textual semantics through a multi-component memory architecture. Three memory banks – contextual, semantic, and structural – are maintained with retrieval signals fused via learned weights to capture both surface-level semantics and deeper relational patterns. Evaluated on SlimPajama (84.7K training examples), WikiText-103 (4,358 examples), PG-19 (100 examples), and Proof-pile (46.3K examples), KGERMAR achieves up to 8.5\% lower perplexity and 2–2.5x better memory efficiency than memory-augmented baselines across context lengths from 1K to 32K tokens, with superior in-context learning performance across five NLU tasks. The dynamic knowledge graph construction approach advances memory-augmented language modeling by enabling domain-specific knowledge representation that adapts to input contexts rather than relying on fixed knowledge bases.

07.
arXiv (CS.CL) 2026-06-11

SAGE: Answer-Conditioned Uncertainty Targets for Verbal Uncertainty Alignment

Large language models increasingly express uncertainty through natural-language statements, yet these expressions often fail to reflect the model's sampled behavior. We study verbal uncertainty alignment as a distributional calibration problem: the appropriate uncertainty target for a prompt should be estimated from repeated model outputs rather than from an isolated response. However, group rollouts alone are insufficient, since the resulting target must provide a useful training signal. Existing targets only partially satisfy this requirement. We propose SAGE, Semantic-Answer Guided Entropy, a group-level uncertainty target that constructs an answer-conditioned uncertainty geometry over sampled responses. SAGE preserves categorical, numeric, and symbolic answer distinctions while maintaining a smooth and scale-preserving calibration signal. We further apply this target through Group-Uncertainty Preference Optimization, or GUPO, an uncertainty-channel training framework that supervises verbal uncertainty expressions rather than the full response. Experiments across factual, mathematical, and multiple-choice reasoning tasks show improved uncertainty ranking, lower calibration error, and reduced overconfidence.

08.
arXiv (CS.LG) 2026-06-16

ROVE: Unlocking Human Interventions for Humanoid Manipulation via Reinforcement Learning

arXiv:2606.17011v1 Announce Type: cross Abstract: Human interventions provide crucial corrective signals for post-training Vision-Language-Action (VLA) models. However, enabling seamless humanoid interventions is a formidable systems challenge due to complex whole-body kinematics and dexterous-hand control. Consequently, the collected intervention trajectories are often suboptimal, and methods that rely on human interventions as expert supervision can absorb hesitant, inefficient, or even erroneous behaviors. To address both the system and algorithmic challenges, we propose ROVE, a reinforcement learning framework for humanoid VLA post-training with imperfect human interventions. First, ROVE introduces a human-in-the-loop pipeline capable of collecting deployment and intervention data for humanoid manipulation. Second, it utilizes Optimistic Value Estimation (OVE) to prioritize high-value behaviors from mixed-quality trajectories. To further robustify value estimation, we incorporate cross-embodiment human experience videos to provide rich supervision for long-tailed failure and recovery modes. The resulting critic yields informative advantage signals, steering the VLA actor to focus on high-value behaviors rather than indiscriminately imitating all actions. On challenging real-world contact-rich and fine-grained humanoid manipulation tasks, ROVE outperforms experience-learning baselines and consistently improves across multiple rollout-intervention iterations.

09.
arXiv (CS.AI) 2026-06-12

Mapping AI Programs in the U.S: A Status Report from Early 2026 and an Analysis of AI Majors and Minors

arXiv:2606.12428v1 Announce Type: cross Abstract: We present a report on the status of undergraduate Artificial Intelligence (AI) programs in the United States in Spring 2026. In so doing, we 1) describe our scraping and mapping tools, which dynamically update to track the state of AI education in the U.S., and 2) create a historic record at a time of great upheaval. The tool we developed, available at https://cicmap.ai, detects, scrapes, and displays data from more than 350 undergraduate AI programs–majors, minors, concentrations, and certificates–at 4-year universities. Our tool searched over 560 institutions to locate these programs, a sample that represents 86\% of all undergraduate Computer Science (CS) graduates in the U.S. This tool allows prospective students, guidance counselors, administrators, and faculty to easily access AI program requirements and is designed to continually update as new programs emerge. To the best of our knowledge, this survey represents the most comprehensive snapshot of the state of AI programs in the U.S. to date. With this work we offer three important contributions: 1) a record of AI programs in the U.S. at a time of great upheaval; 2) a tool to explore AI programs and their requirements; and 3) an analysis of the courses required for 66 AI majors and 87 AI minors. Our analysis of majors and minors shows great variability in the size and the requirements of these degrees, but we note two takeaways. First, not all majors require a general AI course, but if they don't, they do require a Machine Learning (ML) course. Second, while more than a third of majors require an Ethics in AI course, just under a quarter of AI minors do.

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

Reason, Then Re-reason: Cross-view Revisiting Improves Spatial Reasoning

Spatial reasoning from egocentric videos is inherently challenging because the observable evidence is constrained by the camera trajectory. Existing methods rely on single-turn inference, forcing models to resolve geometric ambiguity through semantic priors rather than verifiable evidence. We argue that spatial reasoning should be revisitable: conclusions formed under limited evidence should remain open to revision when complementary viewpoints become available. Building on this insight, we propose Reason, then Re-reason (ReRe), a training-free, inference-time framework with two phases: in the Reason Phase, an MLLM forms a spatial hypothesis from the original video; in the Re-reason Phase, it verifies or revises the hypothesis by observing a synthesized novel-view video. To enable effective cross-view revisiting, we design a Geometry-to-Video pipeline that renders strategically complementary novel views from predicted 3D geometry. These views feature an elevated, oblique perspective with scene-spanning coverage, while preserving the MLLM's native video interface without architectural modifications. Extensive evaluations on VSI-Bench and STI-Bench demonstrate that ReRe substantially boosts open-source MLLMs to rival proprietary state-of-the-art performance. Project page: https://zhenjiemao.github.io/ReRe/

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

An affordable hardware-aware neural architecture search for deploying convolutional neural networks on ultra-low-power computing platforms

arXiv:2606.16290v1 Announce Type: cross Abstract: Hardware-aware neural architecture search (HW-NAS) allows the integration of Convolutional Neural Networks (CNNs) in microcontrollers devices by automatically designing neural architectures that can fit prearranged hardware constraints. However, state-of-the-art HW-NAS target high-performance microcontrollers, whose power consumption does not meet sensing nodes requirements. This work presents a HW-NAS generating tiny CNNs that can run on ultra-low-power microcontrollers, featuring a lightweight search procedure enabling its execution even on embedded devices. Empirical results on three well-known benchmarks for tiny computer vision proved that the proposed HW-NAS was able to generate tiny CNNs while preserving state-of-the-art classification accuracy.

12.
arXiv (math.PR) 2026-06-11

Sure-almost-sure and Sure-limit-sure Window Mean Payoff in Markov Decision Processes

arXiv:2605.12191v2 Announce Type: replace-cross Abstract: Given rationals $\alpha$ and $\beta$, the sure-almost-sure problem for a threshold Boolean objective $\varphi$ in a Markov decision process (MDP) asks if one can simultaneously ensure that all outcomes of the MDP have $\varphi$-value at least $\alpha$ (i.e. sure $\alpha$ satisfaction) and with probability $1$ the outcome has $\varphi$-value at least $\beta$ (i.e. almost-sure $\beta$ satisfaction). The sure-limit-sure problem asks if for all $\varepsilon > 0$ one can simultaneously ensure that all outcomes have $\varphi$-value at least $\alpha$ and with probability at least $1 - \varepsilon$ the outcome has $\varphi$-value at least $\beta$. Moreover, if simultaneous satisfaction of objectives is possible, then one would also like to construct a strategy (for sure-almost-sure) or a family of strategies (for sure-limit-sure) that achieves this. In this paper, we solve the sure-almost-sure and sure-limit-sure problems for window mean-payoff objectives. The window mean-payoff objective strengthens the standard mean-payoff objective by requiring that eventually, from every point in the infinite run, the average payoff becomes greater than a given threshold within a finite window length. We study two variants of window mean payoff: in the fixed variant, the window length $\ell$ is given, while in the bounded variant, the length is not given but is required to be bounded throughout the run. We show that the sure-almost-sure problem and the sure-limit-sure problem are both in P for the fixed variant (if $\ell$ is given in unary) and are both in NP $\cap$ coNP for the bounded variant, matching the computational complexity of sure satisfaction and almost-sure satisfaction when considered separately for these objectives. We also give bounds for the memory requirement of winning strategies for all considered problems.

13.
arXiv (quant-ph) 2026-06-16

Ultrastrongly coupled open systems and fine grained time

arXiv:2606.16634v1 Announce Type: new Abstract: We study the dynamics of a d-level quantum system coupled to a bosonic reservoir when the coupling constant is large. It is known that in the limit of infinite coupling strength, the system undergoes an instantaneous nonselective measurement, resulting in the immediate decoherence in the measurement basis, followed by a unitary Zeno dynamics. Here we resolve this dynamical process by introducing a fine grained scaling regime of short times proportional to the inverse coupling. We provide a rigorous derivation of the open system dynamics in this regime of ultrastrong coupling and demonstrate how decoherence unfolds continuously in the new time scale. We show that Markovian dynamics which are not given by semigroups arise naturally, in contrast to what happens in the weak coupling theory.

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

Interpretable Sperm Morphology Classification via Attention-Guided Deep Learning

arXiv:2606.20438v1 Announce Type: new Abstract: Male infertility is a major cause of couple infertility, often linked to abnormal sperm morphology. While deep learning models offer automated analysis, most lack interpretability, limiting their clinical adoption. This study proposes an attention-guided deep learning framework for sperm morphology classification. We combine a pretrained EfficientNet-B0 with a Convolutional Block Attention Module (CBAM) to focus on key areas of the sperm head, improving both accuracy and interpretability. Evaluated on the SMIDS and HuSHem public datasets, our model achieves accuracies of 90.2% and 93.9% (macro F1 scores of 0.913 and 0.948), outperforming SimpleCNN and standard EfficientNet-B0. Furthermore, we use Grad-CAM++ visualizations to highlight features influencing the model's decisions. The results demonstrate that this accurate and transparent framework is a practical tool for automated sperm analysis in fertility clinics.

15.
arXiv (CS.CL) 2026-06-17

Correct When Paired, Wrong When Split: Decoupling and Editing Modality-Specific Neurons in MLLMs

Although Knowledge Editing provides an efficient mechanism for updating the knowledge of Multimodal Large Language Models (MLLMs), we find that current paradigms still suffer from an important yet remain underexplored issue : editing decoupling failure, where entity-related knowledge can be updated when the model is triggered by multimodal inputs (text–image query pairs), however, it often reverts to outdated pre-edit facts when the paired inputs are split into unimodal ones. Our in-depth empirical analysis reveals that the entity knowledge in MLLMs is not stored as a unified representation, but is instead distributed across disentangled modality-specific pathways. As a result, updates biased toward multimodal queries fail to propagate effectively to unimodal circuits. To bridge this gap, we propose DECODE, which explicitly disentangles and localizes modality-specific neuron groups for targeted knowledge. Extensive experiments demonstrate that DECODE consistently achieves effective knowledge updates under different modality triggers, thereby mitigating editing decoupling failures.

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

SCALE: Self-uncertainty Conditioned Adaptive Looking and Execution for Vision-Language-Action Models

arXiv:2602.04208v2 Announce Type: replace-cross Abstract: Vision-Language-Action (VLA) models have emerged as a promising paradigm for general-purpose robotic control, with test-time scaling (TTS) gaining attention to enhance robustness beyond training. However, existing TTS methods for VLAs require additional training, verifiers, and multiple forward passes, making them impractical for deployment. Moreover, they intervene only at action decoding while keeping visual representations fixed-insufficient under perceptual ambiguity, where reconsidering how to perceive is as important as deciding what to do. To address these limitations, we propose SCALE, a simple inference strategy that jointly modulates visual perception and action based on 'self-uncertainty', inspired by uncertainty-driven exploration in Active Inference theory-requiring no additional training, no verifier, and only a single forward pass. SCALE broadens exploration in both perception and action under high uncertainty, while focusing on exploitation when confident-enabling adaptive execution across varying conditions. Experiments on simulated and real-world benchmarks demonstrate that SCALE improves state-of-the-art VLAs and outperforms existing TTS methods while maintaining single-pass efficiency.

17.
arXiv (CS.AI) 2026-06-16

Snyk VulnBench JS 1.0: Can LLMs Find the Same Bugs Twice?

arXiv:2606.15762v1 Announce Type: cross Abstract: We ran 300 repeated vulnerability-finding scans to measure how repeatable agentic large language model (LLM) security review is on the same JavaScript code, prompt, and benchmark harness. The headline result is that LLM security findings were unevenly repeatable: reference-matched findings were stable, but extra model reports varied heavily from run to run. Across 250 model runs, 80 of 161 unique unmatched findings appeared in only one of five identical repetitions, while only 22 appeared in all five. By contrast, when Claude matched a Snyk Code reference finding, the behavior was much more stable: 134 of 158 unique reference-matched findings appeared in all five repetitions. The benchmark also shows complementarity. Models consistently found familiar, high-signal exploit shapes, and in one case surfaced a likely Snyk Code product gap. Snyk Code static application security testing (SAST) was deterministic and better at systematically enumerating repeated data-flow sinks. The results support combining agentic LLM review with deterministic SAST rather than treating either technique as a replacement for the other.

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

Multimodal Concept Bottleneck Models

arXiv:2606.19882v1 Announce Type: cross Abstract: Concept Bottleneck Models (CBMs) enhance the interpretability of deep learning networks by aligning the features extracted from images with natural concepts. However, existing CBMs are constrained in their ability to generalize beyond a fixed set of predefined classes and the risk of non-concept information leakage, where predictive signals outside the intended concepts are inadvertently exploited. In this paper, we propose Multimodal Concept Bottleneck Model (MM-CBM) to address these issues and extend CBMs into CLIP. MM-CBM utilizes dual Concept Bottleneck Layers (CBLs) to align both the image and text embeddings into interpretable features. This allows us to perform new vision tasks like zero-shot classification or image retrieval in an interpretable way. Compared to existing methods, MM-CBM achieves up to 51.26% accuracy improvement on average across four standard benchmarks. Our method maintains high accuracy, staying within ~5% of black-box performance while offering greater interpretability.

19.
arXiv (CS.CV) 2026-06-16

Toward the Whole Picture: Accumulative Fingerprint Mapping and Reconstruction for Small-Area Mobile Sensors

Small-area fingerprint sensing on mobile devices creates a fundamental mismatch between acquisition and recognition: each touch captures only a tiny, pose-varying local patch, while reliable biometric matching ultimately requires a stable and sufficiently complete fingerprint representation. Existing pipelines largely cope with this mismatch by treating repeated touches as independent partial templates, which leads to repeated registration, repeated matching, and no guarantee of adequate global coverage. In this paper, we advocate a different formulation, namely accumulative fingerprint mapping and reconstruction for small-area mobile sensing. Rather than matching every partial patch separately, the proposed perspective converts a sequence of local observations into a unified fingerprint state that is progressively refined as new touches arrive and can be matched only once after consolidation. As a concrete baseline, we present a classical pipeline that performs patch-wise structural feature extraction, feature-level registration and fusion, fingerprint map construction, and phase-based ridge reconstruction. More importantly, we position this baseline within a broader mobile fingerprint framework that integrates structured token learning, two-stage pose reasoning, and diffusion-based generative reconstruction. This viewpoint reframes mobile fingerprint recognition from multi-capture multi-match processing to accumulative map building, state refinement, and one-shot matching, offering a principled route toward efficient, pose-robust, and deployment-friendly biometrics for small-area mobile platforms. The baseline implementation has been publicly released at https://github.com/XiongjunGuan/FpReconstruction.

20.
medRxiv (Medicine) 2026-06-11

Hantavirus Disease in Uruguay: Trends and Mortality Before and During the COVID-19 Pandemic.

Introduction: Hantavirus disease is an emerging and potentially severe zoonosis of global distribution. In Uruguay, it is transmitted by rodents inhabiting peridomestic, suburban, and rural areas. Global incidence is estimated at 150,000 to 200,000 cases per year, with up to 300 annual cases in the Americas. Since 1997, Uruguay's Ministry of Public Health (MPH) has monitored Hantavirus cardiopulmonary syndrome (HCPS), the most common clinical presentation in the region. By 2019, a total of 271 cases had been identified in the country, with an estimated mortality rate of nearly 50%. Objectives: To describe the clinical, epidemiological, and occupational characteristics of patients with Hantavirus disease in Uruguay during the pre-pandemic (2018-2019) and pandemic (2020-2021) periods. Methods: A descriptive, cross-sectional, observational study was conducted, including all serologically confirmed cases of Hantavirus infection reported to the MPH between 2018 and 2021. Clinical and demographic data were extracted from the mandatory reporting form for zoonotic diseases. Incidence and case fatality rates were calculated, and factors associated with fatal outcomes were analyzed. Results: A total of 58 confirmed cases were identified between 2018 and 2021. Most patients were male (62%), with a mean age of 36.5 years (SD 16). A decline in incidence was observed during 2020-2021, with no significant change in case fatality. Direct rodent exposure was the most frequently associated risk factor. Montevideo and Canelones were the most affected departments. Renal and pulmonary involvement were significantly associated with mortality. Conclusion: Hantavirus remains a relevant public health concern in Uruguay. Although a decrease in incidence was observed during the COVID-19 pandemic years, case fatality rates remained high. The findings underscore the need for sustained surveillance and early recognition, particularly in urbanizing regions.

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

MolGraphBench: A Benchmark of GNN Architectures for Molecular Regression Tasks

arXiv:2602.20573v3 Announce Type: replace Abstract: Molecules are often represented as SMILES strings, which can be readily converted to hand-crafted descriptors or fingerprints (FP) for molecular property prediction. Research has demonstrated that SMILES can be converted to molecular graphs $G = (V, E)$, with atoms as nodes $(V)$ and bonds as edges $(E)$. These molecular graphs can subsequently be used to train graph neural networks (GNN) models. Despite the recent surge in application of GNN (existing and novel architectures) for molecular property prediction, a rigorous benchmark is still lacking. We propose MolGraphBench, a comprehensive benchmark of four commonly used GNN models for molecular property prediction. Benchmarking results demonstrate graph convolutional network (GCN) and graph isomorphism networks (GIN) as the optimal GNN architectures for molecular graph regression tasks, based on absolute performance, training efficiency, transfer learning and prediction quality. The study also indicates the non-complementary nature of molecular fingerprints in the fusion (GNN-FP) framework. Furthermore, our GNN models achieved performance superior or comparable performance to current state-of-the-art GNN baselines across three datasets (GCN with RMSE of $0.518$ on B3DB, GIN-FP with RMSE of $1.022$ on FreeSolv and GIN with MAE of $63.783$ on RT datasets). Findings from this study indicate that type of GNN-layer, should be treated as a tunable hyperparameter rather than a fixed design choice to achieve superior performance.

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

Early Anomaly-Onset Detection based on Wigner–Ville Distribution Slice Spectra: A Transmission-Grid Test Case

arXiv:2606.15856v1 Announce Type: cross Abstract: Operational disturbance monitoring in power networks requires decisions to be made from waveform windows as they arrive, rather than from completed records after the event. This study evaluates full-vector Wigner–Ville Distribution Slice (WVDS) spectra for sequential anomaly-onset detection in high-voltage grid-voltage waveforms. The approach keeps the bilinear midpoint interaction structure of the Wigner–Ville distribution and represents each 128-sample voltage window by a 128-dimensional slice spectrum, avoiding manually selected fault-frequency markers. WVDS is used with a baseline-normalized deviation (BND) score and is compared against the BND of Fast Fourier Transform (FFT-BND), raw-window autoencoders, FFT autoencoders, and WVDS autoencoders under the same thresholding and three-window persistence rule. A synthetic autoencoder–clustering teacher is used to select RTE fault records that start from an initially normal region and then transition to anomalous behavior. On the filtered test set, FFT-BND achieves the highest sensitivity, whereas WVDS-BND provides the lowest false-alarm operating point, reducing record-level pre-onset false alarms to 0.69%. The autoencoder comparison follows the same selectivity pattern: WVDS reconstruction decreases false alarms relative to FFT reconstruction but misses more examples. The results indicate that preserved WVD cross-term information can form a selective representation for online grid-waveform anomaly monitoring when false alarms are costly.

23.
Nature (Science) 2026-06-10

Building user-driven climate adaptation products

Climate adaptation products have traditionally been developed using a supply-driven model reliant on available climate information, leading to usability gaps1–4. To better meet user needs, the climate services field has recognized a need to shift towards a demand-driven model emphasizing co-production, that is, user-driven, scientifically informed products created through shared knowledge practices1–5. However, co-production can be challenging, especially for researchers unfamiliar with the approach or for digital and software-based products with complex user needs2,5–8. User-centred design, from the human–computer interaction field, offers a process that could complement co-production approaches to product development, yet its potential remains underexplored2. Here we show how user-centred design can be integrated into, and strengthen, co-production approaches for building user-driven climate adaptation products. Through a systematic review of the co-production and user-centred design literature, we identify key processes, mechanisms and best practices for both approaches. Our findings offer practical guidance for researchers and propose an integrated approach for developing climate adaptation products that are useful, usable and used. A systematic review and analysis shows how user-centred design can be integrated into, and strengthen, co-production approaches for building user-driven climate adaptation products.

24.
medRxiv (Medicine) 2026-06-18

The Effectiveness of aromatherapy and its supportive Interventions on anxiety and pain among breast cancer patients: A systematic review and meta-analysis

Introduction: Breast cancer treatments are often associated with pain and anxiety, which can hinder physical functioning and overall quality of life, even after treatment. Complementary therapies, such as aromatherapy, can be used to alleviate pain and reduce anxiety in breast cancer patients. This project aimed to synthesize current global evidence on the effectiveness of aromatherapy. Method: This systematic review followed the PRISMA 2020 guidelines, with a comprehensive, systematic search conducted in PubMed, CINAHL, Cochrane Library, and SCOPUS for randomized controlled trials (RCTS) published from 2015 to 2025. Eligible studies included adult women breast cancer surgery patients who received aromatherapy during various periods of breast cancer. Where possible, data from the included studies were pooled using meta-analysis. GRADE approach was used to assess certainty of findings. Results: The search yielded 84 studies. Out of these, six were included in this review. On average, aromatherapy reduces pain and anxiety scores by 0.79 (standard mean difference (SMD)=-0.79, 95% CI -1.42, -0.16) and 0.53 (SMD=-0.53, 95 CI=-0.90, -0.16) units, respectively, compared to control condition [Low-quality of evidence]. The combination of aromatherapy with music reduces pain and anxiety by 1.26 (SMD= -1.26, 95 CI=-1.65, -0.87) and 1.08 (SMD = -1.08, 95 % CI: -1.45, -0.70) units respectively compared to standard care [Low-quality of evidence]. Conclusion: There is a potential role for the use of aromatherapy and music therapy, to alleviate anxiety and pain, especially for non-preoperative anxiety and pain. Further research is needed to inform the integration of aromatherapy into the management of anxiety and pain.

25.
arXiv (CS.CV) 2026-06-18

A Prototypical Signature Approach for Writer-Independent Offline Signature Verification

Offline handwritten signature verification aims to distinguish genuine from forged signatures using static images. Since real forgeries are rarely available, negative samples are usually randomly drawn from genuine signatures of other users to create training data. However, this random selection often lacks diversity, increases redundancy, and escalates computational cost, leading to inefficient training. We propose a data-driven strategy to generate diverse, informative negative samples using prototypical signatures, which are compact, non-identifiable summaries of genuine signature features. Based on the experiments results, we conclude that (i) prototypical signatures yield more informative negative samples, improving the detection of skilled forgeries; (ii) the proposed approach is backbone-agnostic, showing robustness across architectures; and (iii) when combined with a primal-form linear SVM, it serves as an alternative to RBF-based models while significantly improving scalability and computational efficiency. Implementation of the method is available at https://github.com/kdmoura/proto_hsv.