ChemATP: A Training-Free Chemical Reasoning Framework for Large Language Models

Large Language Models (LLMs) exhibit strong general reasoning but struggle in molecular science due to the lack of explicit chemical priors in standard string representations. Current solutions face a fundamental dilemma. Training-based methods inject priors into parameters, but this static coupling hinders rapid knowledge updates and often compromises the model's general reasoning capabilities. Conversely, existing training-free methods avoid these issues but rely on surface-level prompting, failing to provide the fine-grained atom-level priors essential for precise chemical reasoning. To address this issue, we introduce ChemATP, a framework that decouples chemical knowledge from the reasoning engine. By constructing the first atom-level textual knowledge base, ChemATP enables frozen LLMs to explicitly retrieve and reason over this information dynamically. This architecture ensures interpretability and adaptability while preserving the LLM's intrinsic general intelligence. Experiments show that ChemATP significantly outperforms training-free baselines and rivals state-of-the-art training-based models, demonstrating that explicit prior injection is a competitive alternative to implicit parameter updates.

Robust fuzzy clustering for high-dimensional multivariate time series with outlier detection

Fuzzy clustering provides a natural framework for modeling partial memberships, particularly important in multivariate time series (MTS) where state boundaries are often ambiguous. For example, in EEG monitoring of driver alertness, neural activity evolves along a continuum (from unconscious to fully alert, with many intermediate levels of drowsiness) so crisp labels are unrealistic and partial memberships are essential. However, most existing algorithms are developed for static, low-dimensional data and struggle with temporal dependence, unequal sequence lengths, high dimensionality, and contamination by noise or artifacts. To address these challenges, we introduce RFCPCA, a robust fuzzy subspace-clustering method explicitly tailored to MTS that, to the best of our knowledge, is the first of its kind to simultaneously: (i) learn membership-informed subspaces, (ii) accommodate unequal lengths and moderately high dimensions, (iii) achieve robustness through trimming, exponential reweighting, and a dedicated noise cluster, and (iv) automatically select all required hyperparameters. These components enable RFCPCA to capture latent temporal structure, provide calibrated membership uncertainty, and flag series-level outliers while remaining stable under contamination. On driver drowsiness EEG, RFCPCA improves clustering accuracy over related methods and yields a more reliable characterization of uncertainty and outlier structure in MTS.

OnlineSplatter: Pose-Free Online 3D Reconstruction for Free-Moving Objects

Free-moving object reconstruction from monocular video remains challenging, particularly without reliable pose or depth cues and under arbitrary object motion. We introduce OnlineSplatter, a novel online feed-forward framework generating high-quality, object-centric 3D Gaussians directly from RGB frames without requiring camera pose, depth priors, or bundle optimization. Our approach anchors reconstruction using the first frame and progressively refines the object representation through a dense Gaussian primitive field, maintaining constant computational cost regardless of video sequence length. Our core contribution is a dual-key memory module combining latent appearance-geometry keys with explicit directional keys, robustly fusing current frame features with temporally aggregated object states. This design enables effective handling of free-moving objects via spatial-guided memory readout and an efficient sparsification mechanism, ensuring comprehensive yet compact object coverage. Evaluations on real-world datasets demonstrate that OnlineSplatter significantly outperforms state-of-the-art pose-free reconstruction baselines, consistently improving with more observations while maintaining constant memory and runtime.

Scalable Asynchronous Federated Modeling for Spatial Data

Spatial data are central to applications such as environmental monitoring and urban planning, but are often distributed across devices where privacy and communication constraints limit direct sharing. Federated modeling offers a practical solution that preserves data privacy while enabling global modeling across distributed data sources. For instance, environmental sensor networks are privacy- and bandwidth-constrained, motivating federated spatial modeling that shares only privacy-preserving summaries to produce timely, high-resolution pollution maps without centralizing raw data. However, existing federated modeling approaches either ignore spatial dependence or rely on synchronous updates that suffer from stragglers in heterogeneous environments. This work proposes an asynchronous federated modeling framework for spatial data based on low-rank Gaussian process approximations. The method employs block-wise optimization and introduces strategies for gradient correction, adaptive aggregation, and stabilized updates. We establish linear convergence with explicit dependence on staleness, a result of standalone theoretical significance. Moreover, numerical experiments demonstrate that the asynchronous algorithm achieves synchronous performance under balanced resource allocation and significantly outperforms it in heterogeneous settings, showcasing superior robustness and scalability.

Flow Matching-Based Active Learning for Radio Map Construction with Low-Altitude UAVs

The employment of unmanned aerial vehicles (UAVs) in the lowaltitude economy necessitates precise and real-time radio maps for reliable communication and safe navigation. However, constructing such maps is hindered by the infeasibility of exhaustive measurements due to UAVs' limited flight endurance. To address this, we propose a novel active learning framework for low-altitude radio map construction based on limited measurements. First, a Plug-and-Play (PnP)-refined flow matching algorithm is introduced, which leverages flow matching as a powerful generative prior within a PnP scheme to reconstruct high-fidelity radio maps. Second, the generative nature of flow matching is exploited to quantify uncertainty by generating an ensemble of radio maps and computing the location-wise variance. The resulting uncertainty map guides a multi-objective candidate selection and then a trajectory is planned via utility-aware path search (UAPS), directing the UAV to the most informative locations while taking travel costs into account. Simulation results demonstrate that our method significantly outperforms the baselines, achieving more than a 70% reduction in normalized mean squared error (NMSE).

Modeling nonstationary spatial processes with normalizing flows

Nonstationary spatial processes can often be represented as stationary processes on a warped spatial domain. Selecting an appropriate spatial warping function for a given application is often difficult and, as a result of this, warping methods have largely been limited to two-dimensional spatial domains. In this paper, we introduce a novel approach to modeling nonstationary, anisotropic spatial processes using neural autoregressive flows (NAFs), a class of invertible mappings capable of generating complex, high-dimensional warpings. Through simulation studies we demonstrate that a NAF-based model has greater representational capacity than other commonly used spatial process models. We apply our proposed modeling framework to a subset of the 3D Argo Floats dataset, highlighting the utility of our framework in real-world applications.

NGTM: Substructure-based Neural Graph Topic Model for Interpretable Graph Generation

Graph generation plays a pivotal role across numerous domains, including molecular design and knowledge graph construction. Although existing methods achieve considerable success in generating realistic graphs, their interpretability remains limited, often obscuring the rationale behind structural decisions. To address this challenge, we propose the Neural Graph Topic Model (NGTM), a novel generative framework inspired by topic modeling in natural language processing. NGTM represents graphs as mixtures of latent topics, each defining a distribution over semantically meaningful substructures, which facilitates explicit interpretability at both local and global scales. The generation process transparently integrates these topic distributions with a global structural variable, enabling clear semantic tracing of each generated graph. Experiments demonstrate that NGTM achieves competitive generation quality while uniquely enabling fine-grained control and interpretability, allowing users to tune structural features or induce biological properties through topic-level adjustments.

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.

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.

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.