Numerous techniques have been proposed for generating adversarial examples in white-box settings under strict Lp-norm constraints. However, such norm-bounded examples often fail to align well with human perception, and only a few methods specifically explore perceptually aligned adversarial examples. Moreover, it remains unclear whether insights from Lp-constrained attacks can be effectively leveraged to improve perceptual efficacy. In this paper, we introduce DASH, a fully differentiable meta-attack framework that generates effective and perceptually aligned adversarial examples by strategically composing existing Lp-based attack methods. DASH operates in a multi-stage fashion: at each stage, it aggregates candidate adversarial examples from multiple base attacks using learned, adaptive weights and propagates the result to the next stage. A novel meta-loss function guides this process by jointly minimizing misclassification loss and perceptual distortion, enabling the framework to dynamically modulate the contribution of each base attack throughout the stages. We evaluate DASH on adversarially trained models across CIFAR-10, CIFAR-100, and ImageNet. Despite relying solely on Lp-constrained based methods, DASH significantly outperforms state-of-the-art perceptual attacks such as AdvAD, achieving higher attack success rates (e.g., 20.63% improvement) and superior visual quality, as measured by SSIM, LPIPS, and FID (improvements $\approx$ of 11, 0.015, and 5.7, respectively). Furthermore, DASH generalizes well to unseen defenses, making it a practical and strong baseline for evaluating robustness without requiring handcrafted adaptive attacks for each new defense.

Creative image in advertising is the heart and soul of e-commerce platform. An eye-catching creative image can enhance the shopping experience for users, boosting income for advertisers and advertising revenue for platforms. With the advent of AIGC technology, advertisers can produce large quantities of creative images at minimal cost. However, they struggle to assess the creative quality to select. Existing methods primarily focus on creative ranking, which fails to address the need for explainable creative selection. In this work, we propose the first paradigm for explainable creative assessment and selection. Powered by multimodal large language models (MLLMs), our approach integrates the assessment and selection of creative images into a natural language generation task. To facilitate this research, we construct CreativePair, the first comparative reasoning-induced creative dataset featuring 8k annotated image pairs, with each sample including a label indicating which image is superior. Additionally, we introduce Creative4U (pronounced Creative for You), a MLLMs-based creative selector that takes into account users' interests. Through Reason-to-Select RFT, which includes supervised fine-tuning with Chain-of-Thought (CoT-SFT) and Group Relative Policy Optimization (GRPO) based reinforcement learning, Creative4U is able to evaluate and select creative images accurately. Both offline and online experiments demonstrate the effectiveness of our approach. Our code and dataset will be made public to advance research and industrial applications.

Contrastive learning (CL) has become a dominant paradigm for self-supervised hypergraph learning, enabling effective training without costly labels. However, node entities in real-world hypergraphs are often associated with rich textual information, which has been largely ignored in prior works. Directly applying existing CL-based methods to such text-attributed hypergraphs (TAHGs) leads to three key limitations: (1) The common use of graph-agnostic text encoders fails to capture the correlations between textual semantics and hypergraph topology, resulting in less expressive representations. (2) Their reliance on random data augmentations introduces noise and weakens the contrastive signals. (3) The primary focus on node- and hyperedge-level contrastive signals limits the ability to capture long-range dependencies, which is essential for effective representation learning. To address these challenges, we introduce HiTeC, a two-stage hierarchical contrastive learning framework for effective self-supervised learning on TAHGs. In the first stage, we pre-train the text encoder with a structure-aware contrastive objective to overcome the graph-agnostic nature of conventional methods. In the second stage, we begin by introducing semantic-aware augmentations, including structure-contextualized text augmentation and semantic-aware hyperedge dropping, to facilitate informative view generation. Subsequently, we propose a multi-scale contrastive loss with an $s$-walk-based subgraph-level objective to capture long-range dependencies. Extensive experiments on six real-world datasets validate the effectiveness of our proposed method.

We introduce FloorplanQA, a diagnostic benchmark for evaluating spatial reasoning in large language models (LLMs). FloorplanQA is grounded in structured representations of indoor scenes, such as (e.g., kitchens, living rooms, bedrooms, bathrooms, and others), encoded symbolically in JSON or XML layouts. The benchmark covers core spatial tasks, including distance measurement, visibility, path finding, and object placement within constrained spaces. Our results across a variety of frontier open-source and commercial LLMs reveal that while models may succeed in shallow queries, they often fail to respect physical constraints, preserve spatial coherence, though they remain mostly robust to small spatial perturbations. FloorplanQA uncovers a blind spot in today's LLMs: inconsistent reasoning about indoor layouts. We hope this benchmark inspires new work on language models that can accurately infer and manipulate spatial and geometric properties in practical settings.

As psychometric surveys are increasingly used to assess the traits of large language models (LLMs), the need for scalable survey item generation suited for LLMs has also grown. A critical challenge here is ensuring the construct validity of generated items, i.e., whether they truly measure the intended trait. Traditionally, this requires costly, large-scale human data collection. To make it efficient, we present a framework for virtual respondent simulation using LLMs. Our central idea is to account for mediators: factors through which the same trait can give rise to varying responses to a survey item. By simulating respondents with diverse mediators, we identify survey items that yield responses robustly correlated with intended traits across these mediators. Experiments on three psychological trait theories (Big5, Schwartz, VIA) show that our mediator generation methods and simulation framework effectively identify high-validity items. LLMs demonstrate the ability to generate plausible mediators from trait definitions and to simulate respondent behavior for item validation. Our problem formulation, metrics, methodology, and dataset open a new direction for cost-efficient survey development and a deeper understanding of how LLMs simulate human survey responses. We release our dataset and code to support future work.

We present \texttt{MathOptAI.jl}, an open-source Julia library for embedding trained machine learning predictors into a JuMP model. \texttt{MathOptAI.jl} can embed a wide variety of neural networks, decision trees, and Gaussian Processes into a larger mathematical optimization model. In addition to interfacing a range of Julia-based machine learning libraries such as \texttt{Lux.jl} and \texttt{Flux.jl}, \texttt{MathOptAI.jl} uses Julia's Python interface to provide support for PyTorch models. When the PyTorch support is combined with \texttt{MathOptAI.jl}'s gray-box formulation, the function, Jacobian, and Hessian evaluations associated with the PyTorch model are offloaded to the GPU in Python, while the rest of the nonlinear oracles are evaluated on the CPU in Julia. \MathOptAI is available at https://github.com/lanl-ansi/MathOptAI.jl under a BSD-3 license.

Linear attention mitigates the quadratic complexity of softmax attention but suffers from a critical loss of expressiveness. We identify two primary causes: (1) The normalization operation cancels the query norm, which breaks the correlation between a query's norm and the spikiness (entropy) of the attention distribution as in softmax attention. (2) Standard techniques for enforcing non-negativity cause destructive information loss by nullifying valid inner-product interactions. To address these challenges, we introduce NaLaFormer, a novel linear attention mechanism built upon a norm$\times$direction (ND) decomposition of the query and key vectors. We leverage each component to solve a distinct problem: The query norm is injected into our kernel to create a query-norm-aware map that restores the attention distribution's spikiness. The direction vectors are processed by a geometric, cosine-based similarity metric that guarantees non-negativity while preserving the rich, fine-grained information of the inner product. We validate NaLaFormer through a comprehensive multi-modal evaluation, where it sets new state-of-the-art benchmarks for linear attention. Our model achieves up to a 7.5% accuracy gain on ImageNet-1K and a 4.7% mIoU improvement on ADE20K over comparable baselines. It demonstrates profound efficiency, reducing peak memory by a transformative 92.3% in token-intensive super-resolution tasks (70K+ tokens). NaLaFormer's versatility is further confirmed as it surpasses strong baselines like Mamba on common-sense reasoning and sets a new state-of-the-art on the Long Range Arena (LRA) benchmark. Code is available at https://github.com/ZacharyMeng/NaLaFormer .

Masked diffusion language models (MDLMs) promise fast, non-autoregressive text generation, yet existing samplers, which pick tokens to unmask based on model confidence, ignore interactions when unmasking multiple positions in parallel and effectively reduce to slow, autoregressive behavior. We propose the Dilated Unmasking Scheduler (DUS), an inference-only, planner-model-free method that partitions sequence positions into non-adjacent dilated groups and unmasks them in parallel so as to minimize an upper bound on joint entropy gain at each denoising step. By explicitly trading off the number of network calls against generation quality, DUS recovers most of the performance lost under traditional parallel unmasking strategies. Across math (GSM8K, MATH500), code (HumanEval, MBPP), general-knowledge (BBH, MMLU-Pro), and instruction following (IFEval) benchmarks, DUS outperforms confidence-based planners and turns the diffusion-specific quality-speed trade-off into a deterministic, predictable speedup set by the block size $B$, yielding up to $5.8\times$ wall-clock speedup over token-by-token MDLM decoding without modifying the underlying denoiser. Applied as a drop-in post-filter, dilated spacing also improves adaptive samplers. Code is available at https://github.com/omerlux/DUS.

Embodied Visual Reasoning (EVR) seeks to follow complex, free-form instructions based on egocentric video, enabling semantic understanding and spatiotemporal reasoning in dynamic environments. Despite its promising potential, EVR encounters significant challenges stemming from the diversity of complex instructions and the intricate spatiotemporal dynamics in long-term egocentric videos. Prior solutions either employ Large Language Models (LLMs) over static video captions, which often omit critical visual details, or rely on end-to-end Vision-Language Models (VLMs) that struggle with stepwise compositional reasoning. Consider the complementary strengths of LLMs in reasoning and VLMs in perception, we propose CLiViS. It is a novel training-free framework that leverages LLMs for high-level task planning and orchestrates VLM-driven open-world visual perception to iteratively update the scene context. Building on this synergy, the core of CLiViS is a dynamic Cognitive Map that evolves throughout the reasoning process. This map constructs a structured representation of the embodied scene, bridging low-level perception and high-level reasoning. Extensive experiments across multiple benchmarks demonstrate the effectiveness and generality of CLiViS, especially in handling long-term visual dependencies. Code is available at https://github.com/Teacher-Tom/CLiViS.

Class imbalance remains a practical obstacle in the development of clinical prediction models for conditions such as diabetes mellitus, where the number of confirmed cases is often much smaller than the number of controls. The Synthetic Minority Over-sampling Technique (SMOTE) and its variants are widely used to address this imbalance, but they generate synthetic observations through local interpolation in feature space and do not explicitly model the joint dependence structure of the minority class. To address this challenge, our study introduces a copula-based data augmentation approach that estimates the minority-class dependence structure when generating synthetic samples and integrates with standard machine learning techniques. Specifically, we employ truncated vine copulas to represent multivariate dependence through a sequence of bivariate building blocks. We evaluate the proposed approach on three public diabetes datasets, namely the Pima Indians Diabetes dataset, the Iraqi Diabetes dataset, and the CDC BRFSS 2015 Diabetes Health Indicators dataset, which together cover a range of sample sizes, dimensionalities, and imbalance regimes. For each dataset, five resampling strategies are compared across five classifiers using a 5 by 2 cross validation protocol with Dietterich's paired t test. Our findings suggest that CopulaSMOTE can improve minority-class recovery in larger tabular diabetes datasets, particularly the CDC BRFSS dataset, but its advantages depend on the classifier and evaluation metric.

Generating accurate and executable code using Large Language Models (LLMs) remains a significant challenge for underrepresented programming languages, such as Prolog and Lisp, due to the scarcity of public training data compared to high-resource languages like Python. This paper introduces a generalizable Reinforcement Learning (RL) approach that combines small-scale versions of the Qwen2.5-Coder model with Group Relative Policy Optimization (GRPO) to enable effective code generation through reasoning. To address the limitations of sparse datasets, we integrate execution-driven feedback directly into the RL loop, utilizing a reward system that exploits both logical correctness and structural formatting. Experimental results on GSM8K dataset demonstrate significant improvements in reasoning quality and code accuracy across underrepresented languages. These findings underscore the potential of our approach to benefit a wide range of programming languages lacking extensive training resources by leveraging symbolic reasoning and interpreter-based feedback.

Accurate automatic screening of minors in unconstrained images requires models robust to distribution shift and resilient to the under-representation of children in public datasets. To address these issues, we propose a multi-task architecture with dedicated under/over-age discrimination tasks based on a frozen FaRL vision-language backbone joined with a compact two-layer MLP that shares features across one age-regression head and four binary underage heads (12, 15, 18, and 21 years). This design focuses on the legally critical age range while keeping the backbone frozen. Class imbalance is mitigated through an $α$-reweighted focal loss and age-balanced mini-batch sampling, while an age gap removes ambiguous samples near thresholds. Evaluation is conducted on our new Overall Underage Benchmark (303k cleaned training images, 110k test images), defining both the "ASORES-39k" restricted overall test, which removes the noisiest domains, and the age estimation wild-shifts test "ASWIFT-20k" of 20k-images, stressing extreme poses ($>$45°), expressions, and low image quality to emulate real-world shifts. Trained on the cleaned overall set with resampling and age gap, our multiage model "F" reduces the mean absolute error on ASORES-39k from 4.175 y (age-only baseline) to 4.068 y and improves under-18 detection from F2 score of 0.801 to 0.857 at 1% false-adult rate. Under the ASWIFT-20k, the same configuration nearly sustains 0.99 recall while F2 rises from 0.742 to 0.833, demonstrating robustness to domain shift.

Real-world time series are often governed by complex nonlinear dynamics. Understanding these underlying dynamics is crucial for precise future prediction. While deep learning has achieved major success in time series forecasting, many existing approaches do not explicitly model the dynamics. To bridge this gap, we introduce DeepEDM, a framework that integrates nonlinear dynamical systems modeling with deep neural networks. Inspired by empirical dynamic modeling (EDM) and rooted in Takens' theorem, DeepEDM presents a novel deep model that learns a latent space from time-delayed embeddings, and employs kernel regression to approximate the underlying dynamics, while leveraging efficient implementation of softmax attention and allowing for accurate prediction of future time steps. To evaluate our method, we conduct comprehensive experiments on synthetic data of nonlinear dynamical systems as well as real-world time series across domains. Our results show that DeepEDM is robust to input noise, and outperforms state-of-the-art methods in forecasting accuracy. Our code is available at: https://abrarmajeedi.github.io/deep_edm.

Loss spikes commonly emerge during neural network training with the Adam optimizer across diverse architectures and scales, yet their underlying mechanism remains elusive. While previous explanations attribute these phenomena to sharper loss landscapes at lower loss, we show that landscape geometry alone is insufficient to explain the phenomenon. In this work, we pinpoint the root cause in the internal dynamics of Adam's second moment estimator. We identify a critical ``decoupling'' mechanism where the adaptive preconditioner $v_t$ fails to track the instantaneous squared gradients $g_t^2$, causing the adaptive mechanism to effectively fail. This decoupling allows the preconditioner to decay autonomously despite rising gradients, which pushes the maximum eigenvalue of the preconditioned Hessian beyond the stability threshold $2/η$ for sustained periods, manifesting as dramatic loss spikes. Through a quadratic approximation analysis, we theoretically and experimentally characterize five distinct stages of spike evolution and propose a predictor for anticipating spikes based on gradient-directional curvature. We empirically find that the proposed loss spike mechanism, although derived from simplified models, generalizes well to practical scenarios ranging from small neural networks to large-scale Transformers.

Diffusion models have shown strong performance in generating high-quality tabular data, but they carry privacy risks by reproducing exact training samples. While prior work focuses on dataset-level augmentation to reduce memorization, little is known about which individual samples contribute most. We present the first data-centric study of memorization dynamics in tabular diffusion models. We quantify memorization for each real sample based on how many generated samples are flagged as replicas, using a relative distance ratio. Our empirical analysis reveals a heavy-tailed distribution of memorization counts: a small subset of samples contributes disproportionately to leakage, confirmed via sample-removal experiments. To understand this, we divide real samples into top- and non-top-memorized groups and analyze their training-time behaviors. We track when each sample is first memorized and monitor per-epoch memorization intensity (AUC). Memorized samples are memorized slightly earlier and show stronger signals in early training. Based on these insights, we propose DynamicCut, a two-stage, model-agnostic mitigation method: (a) rank samples by epoch-wise intensity, (b) prune a tunable top fraction, and (c) retrain on the filtered dataset. Across multiple tabular datasets and models, DynamicCut reduces memorization with minimal impact on data diversity and downstream performance. It also complements augmentation-based defenses. Furthermore, DynamicCut enables cross-model transferability: high-ranked samples identified from one model (e.g., a diffusion model) are also effective for reducing memorization when removed from others, such as GANs and VAEs.

Few-shot adaptation of vision-language models remains fundamentally limited by how negative class signals are handled at inference. Existing methods apply uniform negative suppression across all queries, ignoring that the most damaging confusions are query-specific and shift with support-set geometry. We introduce SCAN (Selective Confusion-Aware Negatives), a framework that addresses this gap through three targeted contributions. In inference, query-adaptive negative routing restricts suppression to the top-K most confusable classes per query, requiring zero additional parameters. Generic negative text templates are replaced with LLM-bootstrapped contrastive prompts that describe discriminative attributes between confusable class pairs, sharpening the textual decision boundary where it matters most. A parameter-free adaptive fusion weight estimated from support-set Fisher discriminability removes the need for manual tuning of the vision-language trade-off. Evaluated across 11 standard benchmarks, SCAN consistently outperforms prior prompt-based and adapter-based methods by an average of 4.61% at 16-shot, with gains of up to 7.70% on fine-grained datasets where inter-class confusion is most severe. SCAN also generalizes strongly under distribution shift, improving by 2.95% on average across four ImageNet OOD variants, and maintains robust performance under significant label noise, with accuracy under 50% label corruption still exceeding the clean baseline of the strongest competing method.

Complex Query Answering (CQA) is a crucial reasoning task over Knowledge Graphs (KGs), which aims to answer first-order logical queries from incomplete KGs. While existing neural-symbolic methods achieve strong performance, they face significant complexity bottlenecks: quadratic data complexity scaling with the number of entities, and NP-hard query complexity for cyclic queries. Consequently, these approaches struggle to scale effectively to large knowledge graphs and complex queries. To address these limitations, we propose an efficient and scalable symbolic search method comprising two key components: (1) constraint strategies that drastically reduce the variable search domain, lowering data complexity; and (2) a local search algorithm that approximately solves NP-hard cyclic queries. Experiments on various CQA benchmarks demonstrate that, for tree-form queries, our method achieves 97% relative MRR with a 10$\times$ speedup using only 10% of the search space. Furthermore, it demonstrates robust performance on complex cyclic queries and large-scale KGs, effectively alleviating efficiency and scalability challenges. Our code is provided in https://github.com/HKUST-KnowComp/NLISA_KDD2026.

Monitoring and analyzing process traces is a critical task for modern companies and organizations. In scenarios where there is a gap between trace events and reference business activities, this entails an interpretation problem, amounting to translating each event of any ongoing trace into the corresponding step of the activity instance. Building on a recent approach that frames the interpretation problem as an acceptance problem within an Abstract Argumentation Framework (AAF), one can elegantly analyze plausible event interpretations (possibly in an aggregated form), as well as offer explanations for those that conflict with prior process knowledge. Since, in settings where event-to-activity mapping is highly uncertain (or simply under-specified) this reasoning-based approach may yield lowly-informative results and heavy computation, one can think of discovering a sequence-tagging model, trained to suggest highly-probable candidate event interpretations in a context-aware way. However, training such a model optimally may require using a large amount of manually-annotated example traces. We then propose a data-efficient neuro-symbolic approach to the problem, where the candidate interpretations returned by the example-driven sequence tagger is refined by the AAF-based reasoner. This allows us to also leverage prior knowledge to compensate for the scarcity of example data, as confirmed by experimenftal results.

Image personalization has garnered attention for its ability to customize Text-to-Image generation using only a few reference images. However, a key challenge in image personalization is the issue of conceptual coupling, where the limited number of reference images leads the model to form unwanted associations between the personalization target and other concepts. Current methods attempt to tackle this issue indirectly, leading to a suboptimal balance between text control and personalization fidelity. In this paper, we take a direct approach to the concept coupling problem through statistical analysis, revealing that it stems from two distinct sources of dependence discrepancies. We therefore propose two complementary plug-and-play loss functions: Denoising Decouple Loss and Prior Decouple loss, each designed to minimize one type of dependence discrepancy. Extensive experiments demonstrate that our approach achieves a superior trade-off between text control and personalization fidelity.

Picking manipulators are task specific robots, with fewer degrees of freedom compared to general-purpose manipulators, and are heavily used in industry. The efficiency of the picking robots is highly dependent on the path planning solution, which is commonly based on sampling-based multi-query methods. The planner is robustly able to solve the problem, but its heavy use of collision-detection limits the planning capabilities for online use. We approach this problem by presenting a novel implicit obstacle representation for path planning, a neural signed configuration distance function (nSCDF), which allows us to form collision-free balls in the configuration space. We use the ball representation to re-formulate a state of the art multi-query path planner, i.e., instead of points, we use balls in the graph. Our planner returns a collision-free corridor, which allows us to use convex programming to produce optimized paths. From our numerical experiments, we observe that our planner produces paths that are close to those from an asymptotically optimal path planner, in significantly less time.

Neural surrogate models are powerful and efficient tools in data mining. Meanwhile, large language models (LLMs) have demonstrated remarkable capabilities in code-related tasks, such as generation and understanding. However, an equally important yet underexplored question is whether LLMs can serve as surrogate models for code execution prediction. To systematically investigate it, we introduce SURGE, a comprehensive benchmark with $1160$ problems covering $8$ key aspects: multi-language programming tasks, competition-level programming problems, repository-level code analysis, high-cost scientific computing, time-complexity-intensive algorithms, buggy code analysis, programs dependent on specific compilers or execution environments, and formal mathematical proof verification. Through extensive analysis of $21$ open-source and proprietary LLMs, we examine scaling laws, data efficiency, and predictive accuracy. Our findings reveal important insights about the feasibility of LLMs as efficient surrogates for computational processes. The benchmark and evaluation framework are available at https://github.com/Imbernoulli/SURGE.

Reward design plays a pivotal role in the training of game AIs, requiring substantial domain-specific knowledge and human effort. In recent years, several studies have explored reward generation for training game agents and controlling robots using large language models (LLMs). In the content generation literature, there has been early work on generating reward functions for reinforcement learning agent generators. This work introduces PCGRLLM, an extended architecture based on earlier work, which employs a feedback mechanism and several reasoning-based prompt engineering techniques. We evaluate the proposed method on a story-to-reward generation task in a two-dimensional environment using two state-of-the-art LLMs across various reasoning-based prompting methods. Our experiments provide insightful evaluations that demonstrate the capabilities of LLMs essential for content generation tasks. The results demonstrate a substantial performance improvement over the previous structure, achieving performance comparable to that of humans. Our work demonstrates the potential to reduce human dependency in game AI development, while supporting and enhancing creative processes.

Most commonly used non-linear machine learning methods are closed-box models, uninterpretable to humans. The field of explainable artificial intelligence (XAI) aims to develop tools to examine the inner workings of these closed boxes. An often-used model-agnostic approach to XAI involves using simple models as local approximations to produce so-called local explanations; examples of this approach include LIME, SHAP, and SLISEMAP. This paper shows how a large set of local explanations can be reduced to a small "proxy set" of simple models, which can act as a generative global explanation. This reduction procedure, ExplainReduce, can be formulated as an optimisation problem and approximated efficiently using greedy heuristics. We show that, for many problems, as few as five explanations can faithfully emulate the closed-box model and that our reduction procedure is competitive with other model aggregation methods.

Graph Neural Networks (GNNs) have been proposed as a tool for learning sparse matrix preconditioners, which are key components in accelerating linear solvers. We present theoretical and empirical evidence that message-passing GNNs are fundamentally incapable of approximating sparse triangular factorizations for classes of matrices for which high-quality preconditioners exist but require non-local dependencies. To illustrate this, we construct a set of baselines using both synthetic matrices and real-world examples from the SuiteSparse collection. Across a range of GNN architectures, including Graph Attention Networks and Graph Transformers, we observe low cosine similarity ($\leq0.7$ in key cases) between predicted and reference factors. Our theoretical and empirical results suggest that architectural innovations beyond message-passing are necessary for applying GNNs to scientific computing tasks such as matrix factorization. Moreover, experiments demonstrate that overcoming non-locality alone is insufficient. Tailored architectures are necessary to capture the required dependencies since even a completely non-local Global Graph Transformer fails to match the proposed baselines.

Molecular representation learning methods typically tokenize molecules as individual atoms or use rigid, rule-based fragment decompositions, limiting their ability to capture meaningful chemical substructure context. We introduce FragmentNet, a graph-to-sequence model built around a novel adaptive, learned tokenizer that decomposes molecular graphs into chemically valid fragments of adjustable granularity, complemented by chemically aware spatial positional encodings that preserve molecular topology in the resulting sequence. Extending masked pre-training strategies from natural language processing to the molecular domain, we mask and reconstruct molecules at the level of chemically meaningful fragments rather than individual atoms. Evaluating across multiple property prediction benchmarks, we find that pre-training at fragment granularity leads to improved downstream performance on the majority of tasks, demonstrating that tokenization granularity is an important design choice for molecular representation learning.

Iterative feature space optimization involves systematically evaluating and adjusting the feature space to improve downstream task performance. However, existing works suffer from three key limitations:1) overlooking differences among data samples leads to evaluation bias; 2) tailoring feature spaces to specific machine learning models results in overfitting and poor generalization; 3) requiring the evaluator to be retrained from scratch during each optimization iteration significantly reduces the overall efficiency of the optimization process. To bridge these gaps, we propose a gEneralized Adaptive feature Space Evaluator (EASE) to efficiently produce optimal and generalized feature spaces. This framework consists of two key components: Feature-Sample Subspace Generator and Contextual Attention Evaluator. The first component aims to decouple the information distribution within the feature space to mitigate evaluation bias. To achieve this, we first identify features most relevant to prediction tasks and samples most challenging for evaluation based on feedback from the subsequent evaluator. This decoupling strategy makes the evaluator consistently target the most challenging aspects of the feature space. The second component intends to incrementally capture evolving patterns of the feature space for efficient evaluation. We propose a weighted-sharing multi-head attention mechanism to encode key characteristics of the feature space into an embedding vector for evaluation. Moreover, the evaluator is updated incrementally, retaining prior evaluation knowledge while incorporating new insights, as consecutive feature spaces during the optimization process share partial information. Extensive experiments on fourteen real-world datasets demonstrate the effectiveness of the proposed framework. Our code and data are publicly available.

This paper focuses on a significant yet challenging task: out-of-distribution detection (OOD detection), which aims to distinguish and reject test samples with semantic shifts, so as to prevent models trained on in-distribution (ID) data from producing unreliable predictions. Although previous works have made decent success, they are ineffective for real-world challenging applications since these methods simply regard all unlabeled data as OOD data and ignore the case that different datasets have different label granularity. For example, "cat" on CIFAR-10 and "tabby cat" on Tiny-ImageNet share the same semantics but have different labels due to various label granularity. To this end, in this paper, we propose a novel Adaptive Hierarchical Graph Cut network (AHGC) to deeply explore the semantic relationship between different images. Specifically, we construct a hierarchical KNN graph to evaluate the similarities between different images based on the cosine similarity. Based on the linkage and density information of the graph, we cut the graph into multiple subgraphs to integrate these semantics-similar samples. If the labeled percentage in a subgraph is larger than a threshold, we will assign the label with the highest percentage to unlabeled images. To further improve the model generalization, we augment each image into two augmentation versions, and maximize the similarity between the two versions. Finally, we leverage the similarity score for OOD detection. Extensive experiments on two challenging benchmarks (CIFAR- 10 and CIFAR-100) illustrate that in representative cases, AHGC outperforms state-of-the-art OOD detection methods by 81.24% on CIFAR-100 and by 40.47% on CIFAR-10 in terms of "FPR95", which shows the effectiveness of our AHGC.

Tactile sensing is critical for learning-based dexterous manipulation, yet principled guidelines for sensor placement remain largely absent. While dense sensor arrays provide rich contact feedback, they impose significant hardware costs and can even degrade policy performance by introducing redundant or conflicting inputs. This paper presents the first systematic framework for quantifying the contribution of individual tactile sensors to deep reinforcement learning (DRL) policy performance. We propose a two-stage approach: a coarse empirical pruning phase that reduces the sensor count on the Shadow Hand from 92 to 21 while retaining 93\% task performance, followed by a fine-grained active learning phase that combines Gaussian Process Regression (GPR) with Lasso regression to rank the functional importance of each remaining sensor. Our analysis reveals that sensors on the thumb, ring finger, and little finger dominate manipulation performance, while middle-finger sensors exhibit negative contributions -- actively degrading policy learning. Ablation studies across three manipulation tasks (block, egg, and pen) confirm that a 14-sensor configuration preserves over 90\% of the full-array performance. Zero-shot transfer experiments on two novel objects and cross-platform validation on the Allegro and Leap Hand further demonstrate that the identified importance rankings generalize across tasks and robot morphologies. These findings establish quantitative deployment guidelines that enable practitioners to select cost-effective sensor configurations with predictable performance trade-offs.

Video anomaly detection (VAD) often learns the distribution of normal samples and detects the anomaly through measuring significant deviations, but the undesired generalization may reconstruct a few anomalies thus suppressing the deviations. Meanwhile, most VADs cannot cope with cross-dataset validation for new target domains, and few-shot methods must laboriously rely on model-tuning from the target domain to complete domain adaptation. To address these problems, we propose a novel VAD method with a motion-guided memory module to achieve cross-dataset validation with zero-shot. First, we add Gaussian blur to the raw appearance images, thereby constructing the global pseudo-anomaly, which serves as the input to the network. Then, we propose multi-scale residual channel attention to deblur the pseudo-anomaly in normal samples. Next, memory items are obtained by recording the motion features in the training phase, which are used to retrieve the motion features from the raw information in the testing phase. Lastly, our method can ignore the blurred real anomaly through attention and rely on motion memory items to increase the normality gap between normal and abnormal motion. Extensive experiments on three benchmark datasets demonstrate the effectiveness of the proposed method. Compared with cross-domain methods, our method achieves competitive performance without adaptation during testing.

Out-of-distribution (OOD) detection targets to detect and reject test samples with semantic shifts, to prevent models trained on in-distribution (ID) dataset from producing unreliable predictions. Existing works only extract the appearance features on image datasets, and cannot handle dynamic multimedia scenarios with much motion information. Therefore, we target a more realistic and challenging OOD detection task: OOD action detection (ODAD). Given an untrimmed video, ODAD first classifies the ID actions and recognizes the OOD actions, and then localizes ID and OOD actions. To this end, in this paper, we propose a novel Uncertainty-Guided Appearance-Motion Association Network (UAAN), which explores both appearance features and motion contexts to reason spatial-temporal inter-object interaction for ODAD.Firstly, we design separate appearance and motion branches to extract corresponding appearance-oriented and motion-aspect object representations. In each branch, we construct a spatial-temporal graph to reason appearance-guided and motion-driven inter-object interaction. Then, we design an appearance-motion attention module to fuse the appearance and motion features for final action detection. Experimental results on two challenging datasets show that UAAN beats state-of-the-art methods by a significant margin, illustrating its effectiveness.