Drug discovery is crucial for identifying candidate drugs for various diseases.However, its low success rate often results in a scarcity of annotations, posing a few-shot learning problem. Existing methods primarily focus on single-scale features, overlooking the hierarchical molecular structures that determine different molecular properties. To address these issues, we introduce Universal Matching Networks (UniMatch), a dual matching framework that integrates explicit hierarchical molecular matching with implicit task-level matching via meta-learning, bridging multi-level molecular representations and task-level generalization. Specifically, our approach explicitly captures structural features across multiple levels, such as atoms, substructures, and molecules, via hierarchical pooling and matching, facilitating precise molecular representation and comparison. Additionally, we employ a meta-learning strategy for implicit task-level matching, allowing the model to capture shared patterns across tasks and quickly adapt to new ones. This unified matching framework ensures effective molecular alignment while leveraging shared meta-knowledge for fast adaptation. Our experimental results demonstrate that UniMatch outperforms state-of-the-art methods on the MoleculeNet and FS-Mol benchmarks, achieving improvements of 2.87% in AUROC and 6.52% in delta AUPRC. UniMatch also shows excellent generalization ability on the Meta-MolNet benchmark.

The classical kernel ridge regression problem aims to find the best fit for the output $Y$ as a function of the input data $X\in \mathbb{R}^d$, with a fixed choice of regularization term imposed by a given choice of a reproducing kernel Hilbert space, such as a Sobolev space. Here we consider a generalization of the kernel ridge regression problem, by introducing an extra matrix parameter $U$, which aims to detect the scale parameters and the feature variables in the data, and thereby improve the efficiency of kernel ridge regression. This naturally leads to a nonlinear variational problem to optimize the choice of $U$. We study various foundational mathematical aspects of this variational problem, and in particular how this behaves in the presence of multiscale structures in the data.

Surface anomaly classification is critical for manufacturing system fault diagnosis and quality control. However, the following challenges always hinder accurate anomaly classification in practice: (i) Anomaly patterns exhibit intra-class variation and inter-class similarity, presenting challenges in the accurate classification of each sample. (ii) Despite the predefined classes, new types of anomalies can occur during production that require to be detected accurately. (iii) Anomalous data is rare in manufacturing processes, leading to limited data for model learning. To tackle the above challenges simultaneously, this paper proposes a novel deep subspace learning-based 3D anomaly classification model. Specifically, starting from a lightweight encoder to extract the latent representations, we model each class as a subspace to account for the intra-class variation, while promoting distinct subspaces of different classes to tackle the inter-class similarity. Moreover, the explicit modeling of subspaces offers the capability to detect out-of-distribution samples, i.e., new types of anomalies, and the regularization effect with much fewer learnable parameters of our proposed subspace classifier, compared to the popular Multi-Layer Perceptions (MLPs). Extensive numerical experiments demonstrate our method achieves better anomaly classification results than benchmark methods, and can effectively identify the new types of anomalies.

LLMs have immense potential for generating plans, transforming an initial world state into a desired goal state. A large body of research has explored the use of LLMs for various planning tasks, from web navigation to travel planning and database querying. However, many of these systems are tailored to specific problems, making it challenging to compare them or determine the best approach for new tasks. There is also a lack of clear and consistent evaluation criteria. Our survey aims to offer a comprehensive overview of current LLM planners to fill this gap. It builds on foundational work by Kartam and Wilkins (1990) and examines six key performance criteria: completeness, executability, optimality, representation, generalization, and efficiency. For each, we provide a thorough analysis of representative works and highlight their strengths and weaknesses. Our paper also identifies crucial future directions, making it a valuable resource for both practitioners and newcomers interested in leveraging LLM planning to support agentic workflows.

Acute Coronary Syndrome (ACS) is a life - threatening cardiovascular condition where early and accurate diagnosis is critical for effective treatment and improved patient outcomes. This study explores the use of ECG foundation models, specifically ST - MEM and ECG - FM, to enhance ACS risk assessment using prehospital ECG data collected in the ambulances . Both models leverage self - supervised learning (SSL), with ST - MEM using a reconstruction - based approach and ECG - FM employing contrastive learning, capt uring unique spatial and temporal ECG features. We evaluate the performance of these models individually and through a fusion approach, where their embeddings are combined for enhanced prediction. Results demonstrate that both foundation models outperform a baseline ResNet - 50 model, with the fusion - based approach achieving the highest perf ormance (AUROC: 0.843 0.006, AUCPR: 0.674 0.012). These findings highlight the potential of ECG foundation models for early ACS detection and motivate further exploration of advanced fusion strategies to maximize complementary feature utilization.

Large Language Models (LLMs) have become essential for offensive language detection, yet their ability to handle annotation disagreement remains underexplored. Disagreement samples, which arise from subjective interpretations, pose a unique challenge due to their ambiguous nature. Understanding how LLMs process these cases, particularly their confidence levels, can offer insight into their alignment with human annotators. This study systematically evaluates the performance of multiple LLMs in detecting offensive language at varying levels of annotation agreement. We analyze binary classification accuracy, examine the relationship between model confidence and human disagreement, and explore how disagreement samples influence model decision-making during few-shot learning and instruction fine-tuning. Our findings reveal that LLMs struggle with low-agreement samples, often exhibiting overconfidence in these ambiguous cases. However, utilizing disagreement samples in training improves both detection accuracy and model alignment with human judgment. These insights provide a foundation for enhancing LLM-based offensive language detection in real-world moderation tasks.

Bias issues of neural networks garner significant attention along with its promising advancement. Among various bias issues, mitigating two predominant biases is crucial in advancing fair and trustworthy AI: (1) ensuring neural networks yields even performance across demographic groups, and (2) ensuring algorithmic decision-making does not rely on protected attributes. However, upon the investigation of \pc papers in the relevant literature, we find that there exists a persistent, extensive but under-explored confusion regarding these two types of biases. Furthermore, the confusion has already significantly hampered the clarity of the community and subsequent development of debiasing methodologies. Thus, in this work, we aim to restore clarity by providing two mathematical definitions for these two predominant biases and leveraging these definitions to unify a comprehensive list of papers. Next, we highlight the common phenomena and the possible reasons for the existing confusion. To alleviate the confusion, we provide extensive experiments on synthetic, census, and image datasets, to validate the distinct nature of these biases, distinguish their different real-world manifestations, and evaluate the effectiveness of a comprehensive list of bias assessment metrics in assessing the mitigation of these biases. Further, we compare these two types of biases from multiple dimensions including the underlying causes, debiasing methods, evaluation protocol, prevalent datasets, and future directions. Last, we provide several suggestions aiming to guide researchers engaged in bias-related work to avoid confusion and further enhance clarity in the community.

Quality Estimation (QE) is estimating the quality of model output when the ground truth reference is not available. Looking at model uncertainty from its own output probabilities is the most trivial and low-effort way to estimate the output quality. However, for generative model, output probabilities might not be the best quality estimator. At an output step, there can be multiple correct options, making the probability distribution spread out more. Thus, lower token probability does not necessarily mean lower output quality. In other words, the model can be considered underconfident. In this paper, we propose a QE approach called Dominant Mass Probability (DMP}, that boosts the model confidence in cases where there are multiple viable output options. We show that, with no increase in complexity, DMP is notably better than sequence probability when estimating the quality of different models (Whisper, Llama, etc.) on different tasks (translation, summarization, etc.). Compared to sequence probability, DMP achieves on average +0.208 improvement in Pearson correlation to ground-truth quality.

Given the rapid development of Legal AI, a lot of attention has been paid to one of the most important legal AI tasks--similar case retrieval, especially with language models to use. In our paper, however, we try to improve the ranking performance of current models from the perspective of learning to rank instead of language models. Specifically, we conduct experiments using a pairwise method--RankSVM as the classifier to substitute a fully connected layer, combined with commonly used language models on similar case retrieval datasets LeCaRDv1 and LeCaRDv2. We finally come to the conclusion that RankSVM could generally help improve the retrieval performance on the LeCaRDv1 and LeCaRDv2 datasets compared with original classifiers by optimizing the precise ranking. It could also help mitigate overfitting owing to class imbalance. Our code is available in https://github.com/liuyuqi123study/RankSVM_for_SLR

Housing and household characteristics are key determinants of social and economic well-being, yet our understanding of their interrelationships remains limited. This study addresses this knowledge gap by developing a deep contrastive learning (DCL) model to infer housing-household relationships using the American Community Survey (ACS) Public Use Microdata Sample (PUMS). More broadly, the proposed model is suitable for a class of problems where the goal is to learn joint relationships between two distinct entities without explicitly labeled ground truth data. Our proposed dual-encoder DCL approach leverages co-occurrence patterns in PUMS and introduces a bisect K-means clustering method to overcome the absence of ground truth labels. The dual-encoder DCL architecture is designed to handle the semantic differences between housing (building) and household (people) features while mitigating noise introduced by clustering. To validate the model, we generate a synthetic ground truth dataset and conduct comprehensive evaluations. The model further demonstrates its superior performance in capturing housing-household relationships in Delaware compared to state-of-the-art methods. A transferability test in North Carolina confirms its generalizability across diverse sociodemographic and geographic contexts. Finally, the post-hoc explainable AI analysis using SHAP values reveals that tenure status and mortgage information play a more significant role in housing-household matching than traditionally emphasized factors such as the number of persons and rooms.