MolEditRL: Structure-Preserving Molecular Editing via Discrete Diffusion and Reinforcement Learning

Molecular editing aims to modify a given molecule to optimize desired chemical properties while preserving structural similarity. However, current approaches typically rely on string-based or continuous representations, which fail to adequately capture the discrete, graph-structured nature of molecules, resulting in limited structural fidelity and poor controllability. In this paper, we propose MolEditRL, a molecular editing framework that explicitly integrates structural constraints with precise property optimization. Specifically, MolEditRL consists of two stages: (1) a discrete graph diffusion model pretrained to reconstruct target molecules conditioned on source structures and natural language instructions; (2) an editing-aware reinforcement learning fine-tuning stage that further enhances property alignment and structural preservation by explicitly optimizing editing decisions under graph constraints. For comprehensive evaluation, we construct MolEdit-Instruct, the largest and most property-rich molecular editing dataset, comprising 3 million diverse examples spanning single- and multi-property tasks across 10 chemical attributes. Experimental results demonstrate that MolEditRL significantly outperforms state-of-the-art methods in both property optimization accuracy and structural fidelity, achieving a 74\% improvement in editing success rate while using 98\% fewer parameters.

Improving Recommendation Fairness without Sensitive Attributes Using Multi-Persona LLMs

Despite the success of recommender systems in alleviating information overload, fairness issues have raised concerns in recent years, potentially leading to unequal treatment for certain user groups. While efforts have been made to improve recommendation fairness, they often assume that users' sensitive attributes are available during model training. However, collecting sensitive information can be difficult, especially on platforms that involve no personal information disclosure. Therefore, we aim to improve recommendation fairness without any access to sensitive attributes. However, this is a non-trivial task because uncovering latent sensitive patterns from complicated user behaviors without explicit sensitive attributes can be difficult. Consequently, suboptimal estimates of sensitive distributions can hinder the fairness training process. To address these challenges, leveraging the remarkable reasoning abilities of Large Language Models (LLMs), we propose a novel LLM-enhanced framework for Fair recommendation withOut Sensitive Attributes (LLMFOSA). A Multi-Persona Sensitive Information Inference module employs LLMs with distinct personas that mimic diverse human perceptions to infer and distill sensitive information. Furthermore, a Confusion-Aware Sensitive Representation Learning module incorporates inference results and rationales to develop robust sensitive representations, considering the mislabeling confusion and collective consensus among agents. The model is then optimized by a formulated mutual information objective. Extensive experiments on two public datasets validate the effectiveness of LLMFOSA in improving fairness.

LLMs as Better Recommenders with Natural Language Collaborative Signals: A Self-Assessing Retrieval Approach

Incorporating collaborative information (CI) effectively is crucial for leveraging LLMs in recommendation tasks. Existing approaches often encode CI using soft tokens or abstract identifiers, which introduces a semantic misalignment with the LLM's natural language pretraining and hampers knowledge integration. To address this, we propose expressing CI directly in natural language to better align with LLMs' semantic space. We achieve this by retrieving a curated set of the most relevant user behaviors in natural language form. However, identifying informative CI is challenging due to the complexity of similarity and utility assessment. To tackle this, we introduce a Self-assessing COllaborative REtrieval framework (SCORE) following the retrieve-rerank paradigm. First, a Collaborative Retriever (CAR) is developed to consider both collaborative patterns and semantic similarity. Then, a Self-assessing Reranker (SARE) leverages LLMs' own reasoning to assess and prioritize retrieved behaviors. Finally, the selected behaviors are prepended to the LLM prompt as natural-language CI to guide recommendation. Extensive experiments on two public datasets validate the effectiveness of SCORE in improving LLM-based recommendation.

FCPCA: Fuzzy clustering of high-dimensional time series based on common principal component analysis

Clustering multivariate time series data is a crucial task in many domains, as it enables the identification of meaningful patterns and groups in time-evolving data. Traditional approaches, such as crisp clustering, rely on the assumption that clusters are sufficiently separated with little overlap. However, real-world data often defy this assumption, exhibiting overlapping distributions or overlapping clouds of points and blurred boundaries between clusters. Fuzzy clustering offers a compelling alternative by allowing partial membership in multiple clusters, making it well-suited for these ambiguous scenarios. Despite its advantages, current fuzzy clustering methods primarily focus on univariate time series, and for multivariate cases, even datasets of moderate dimensionality become computationally prohibitive. This challenge is further exacerbated when dealing with time series of varying lengths, leaving a clear gap in addressing the complexities of modern datasets. This work introduces a novel fuzzy clustering approach based on common principal component analysis to address the aforementioned shortcomings. Our method has the advantage of efficiently handling high-dimensional multivariate time series by reducing dimensionality while preserving critical temporal features. Extensive numerical results show that our proposed clustering method outperforms several existing approaches in the literature. An interesting application involving brain signals from different drivers recorded from a simulated driving experiment illustrates the potential of the approach.

OThink-MR1: Stimulating multimodal generalized reasoning capabilities through dynamic reinforcement learning

Multimodal Language Models have gained significant traction for their ability to process diverse input data types and generate coherent, contextually relevant outputs across various applications. While supervised fine-tuning (SFT) has been the predominant approach to enhance MLLM capabilities in task-specific optimization, it often falls short in fostering crucial generalized reasoning abilities. Despite the potential of reinforcement learning (RL) to address these limitations, it faces two issues: (1) its generalized capabilities in multimodal tasks remain underexplored. (2) its training constraints such as constant Kullback-Leibler or clamp strategy easily lead to suboptimal bottleneck. To adress these issues, we introduce OThink-MR1, a framework that extends RL to MLLMs, enabling them to achieve deeper understanding and reasoning across multimodal tasks. We design a dynamic Kullback-Leibler strategy that significantly enhances RL performance, surpassing SFT in same-task evaluations. Also, we are the first to reveal that RL exhibits remarkable cross-task generalization capabilities, which shows that models post-trained with RL on one multimodal task can be effectively transfered to another tasks. Finally, extensive experiments demonstrate the great reasoning ability of our proposed OThink-MR1.

Enhancing Job Salary Prediction with Disentangled Composition Effect Modeling: A Neural Prototyping Approach

In the era of the knowledge economy, understanding how job skills influence salary is crucial for promoting recruitment with competitive salary systems and aligned salary expectations. Despite efforts on salary prediction based on job positions and talent demographics, there still lacks methods to effectively discern the set-structured skills' intricate composition effect on job salary. While recent advances in neural networks have significantly improved accurate set-based quantitative modeling, their lack of explainability hinders obtaining insights into the skills' composition effects. Indeed, model explanation for set data is challenging due to the combinatorial nature, rich semantics, and unique format. To this end, in this paper, we propose a novel intrinsically explainable set-based neural prototyping approach, namely \textbf{LGDESetNet}, for explainable salary prediction that can reveal disentangled skill sets that impact salary from both local and global perspectives. Specifically, we propose a skill graph-enhanced disentangled discrete subset selection layer to identify multi-faceted influential input subsets with varied semantics. Furthermore, we propose a set-oriented prototype learning method to extract globally influential prototypical sets. The resulting output is transparently derived from the semantic interplay between these input subsets and global prototypes. Extensive experiments on four real-world datasets demonstrate that our method achieves superior performance than state-of-the-art baselines in salary prediction while providing explainable insights into salary-influencing patterns.

Logic-in-Frames: Dynamic Keyframe Search via Visual Semantic-Logical Verification for Long Video Understanding

Understanding long video content is a complex endeavor that often relies on densely sampled frame captions or end-to-end feature selectors, yet these techniques commonly overlook the logical relationships between textual queries and visual elements. In practice, computational constraints necessitate coarse frame subsampling, a challenge analogous to ``finding a needle in a haystack.'' To address this issue, we introduce a semantics-driven search framework that reformulates keyframe selection under the paradigm of Visual Semantic-Logical Search. Specifically, we systematically define four fundamental logical dependencies: 1) spatial co-occurrence, 2) temporal proximity, 3) attribute dependency, and 4) causal order. These relations dynamically update frame sampling distributions through an iterative refinement process, enabling context-aware identification of semantically critical frames tailored to specific query requirements. Our method establishes new SOTA performance on the manually annotated benchmark in key-frame selection metrics. Furthermore, when applied to downstream video question-answering tasks, the proposed approach demonstrates the best performance gains over existing methods on LongVideoBench and Video-MME, validating its effectiveness in bridging the logical gap between textual queries and visual-temporal reasoning. The code will be publicly available.

A Survey of fMRI to Image Reconstruction

Functional magnetic resonance imaging (fMRI) based image reconstruction plays a pivotal role in decoding human perception, with applications in neuroscience and brain-computer interfaces. While recent advancements in deep learning and large-scale datasets have driven progress, challenges such as data scarcity, cross-subject variability, and low semantic consistency persist. To address these issues, we introduce the concept of fMRI-to-Image Learning (fMRI2Image) and present the first systematic review in this field. This review highlights key challenges, categorizes methodologies such as fMRI signal encoding, feature mapping, and image generator. Finally, promising research directions are proposed to advance this emerging frontier, providing a reference for future studies.

A Comprehensive Survey on Self-Interpretable Neural Networks

Neural networks have achieved remarkable success across various fields. However, the lack of interpretability limits their practical use, particularly in critical decision-making scenarios. Post-hoc interpretability, which provides explanations for pre-trained models, is often at risk of robustness and fidelity. This has inspired a rising interest in self-interpretable neural networks, which inherently reveal the prediction rationale through the model structures. Although there exist surveys on post-hoc interpretability, a comprehensive and systematic survey of self-interpretable neural networks is still missing. To address this gap, we first collect and review existing works on self-interpretable neural networks and provide a structured summary of their methodologies from five key perspectives: attribution-based, function-based, concept-based, prototype-based, and rule-based self-interpretation. We also present concrete, visualized examples of model explanations and discuss their applicability across diverse scenarios, including image, text, graph data, and deep reinforcement learning. Additionally, we summarize existing evaluation metrics for self-interpretability and identify open challenges in this field, offering insights for future research. To support ongoing developments, we present a publicly accessible resource to track advancements in this domain: https://github.com/yangji721/Awesome-Self-Interpretable-Neural-Network.

Exploring the Magnitude-Shape Plot Framework for Anomaly Detection in Crowded Video Scenes

Detecting anomalies in crowded video scenes is critical for public safety, enabling timely identification of potential threats. This study explores video anomaly detection within a Functional Data Analysis framework, focusing on the application of the Magnitude-Shape (MS) Plot. Autoencoders are used to learn and reconstruct normal behavioral patterns from anomaly-free training data, resulting in low reconstruction errors for normal frames and higher errors for frames with potential anomalies. The reconstruction error matrix for each frame is treated as multivariate functional data, with the MS-Plot applied to analyze both magnitude and shape deviations, enhancing the accuracy of anomaly detection. Using its capacity to evaluate the magnitude and shape of deviations, the MS-Plot offers a statistically principled and interpretable framework for anomaly detection. The proposed methodology is evaluated on two widely used benchmark datasets, UCSD Ped2 and CUHK Avenue, demonstrating promising performance. It performs better than traditional univariate functional detectors (e.g., FBPlot, TVDMSS, Extremal Depth, and Outliergram) and several state-of-the-art methods. These results highlight the potential of the MS-Plot-based framework for effective anomaly detection in crowded video scenes.