$\text{M}^{2}$LLM: Multi-view Molecular Representation Learning with Large Language Models

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs), achieve state-of-the-art results by effectively deriving features from molecular structures. However, these methods often overlook decades of accumulated semantic and contextual knowledge. Recent advancements in large language models (LLMs) demonstrate remarkable reasoning abilities and prior knowledge across scientific domains, leading us to hypothesize that LLMs can generate rich molecular representations when guided to reason in multiple perspectives. To address these gaps, we propose $\text{M}^{2}$LLM, a multi-view framework that integrates three perspectives: the molecular structure view, the molecular task view, and the molecular rules view. These views are fused dynamically to adapt to task requirements, and experiments demonstrate that $\text{M}^{2}$LLM achieves state-of-the-art performance on multiple benchmarks across classification and regression tasks. Moreover, we demonstrate that representation derived from LLM achieves exceptional performance by leveraging two core functionalities: the generation of molecular embeddings through their encoding capabilities and the curation of molecular features through advanced reasoning processes.

Recognizing Actions from Robotic View for Natural Human-Robot Interaction

Natural Human-Robot Interaction (N-HRI) requires robots to recognize human actions at varying distances and states, regardless of whether the robot itself is in motion or stationary. This setup is more flexible and practical than conventional human action recognition tasks. However, existing benchmarks designed for traditional action recognition fail to address the unique complexities in N-HRI due to limited data, modalities, task categories, and diversity of subjects and environments. To address these challenges, we introduce ACTIVE (Action from Robotic View), a large-scale dataset tailored specifically for perception-centric robotic views prevalent in mobile service robots. ACTIVE comprises 30 composite action categories, 80 participants, and 46,868 annotated video instances, covering both RGB and point cloud modalities. Participants performed various human actions in diverse environments at distances ranging from 3m to 50m, while the camera platform was also mobile, simulating real-world scenarios of robot perception with varying camera heights due to uneven ground. This comprehensive and challenging benchmark aims to advance action and attribute recognition research in N-HRI. Furthermore, we propose ACTIVE-PC, a method that accurately perceives human actions at long distances using Multilevel Neighborhood Sampling, Layered Recognizers, Elastic Ellipse Query, and precise decoupling of kinematic interference from human actions. Experimental results demonstrate the effectiveness of ACTIVE-PC. Our code is available at: https://github.com/wangzy01/ACTIVE-Action-from-Robotic-View.

DICE: Data Influence Cascade in Decentralized Learning

Decentralized learning offers a promising approach to crowdsource data consumptions and computational workloads across geographically distributed compute interconnected through peer-to-peer networks, accommodating the exponentially increasing demands. However, proper incentives are still in absence, considerably discouraging participation. Our vision is that a fair incentive mechanism relies on fair attribution of contributions to participating nodes, which faces non-trivial challenges arising from the localized connections making influence ``cascade'' in a decentralized network. To overcome this, we design the first method to estimate \textbf{D}ata \textbf{I}nfluence \textbf{C}ascad\textbf{E} (DICE) in a decentralized environment. Theoretically, the framework derives tractable approximations of influence cascade over arbitrary neighbor hops, suggesting the influence cascade is determined by an interplay of data, communication topology, and the curvature of loss landscape. DICE also lays the foundations for applications including selecting suitable collaborators and identifying malicious behaviors. Project page is available at https://raiden-zhu.github.io/blog/2025/DICE/.

A Single Merging Suffices: Recovering Server-based Learning Performance in Decentralized Learning

Decentralized learning provides a scalable alternative to traditional parameter-server-based training, yet its performance is often hindered by limited peer-to-peer communication. In this paper, we study how communication should be scheduled over time, including determining when and how frequently devices synchronize. Our empirical results show that concentrating communication budgets in the later stages of decentralized training markedly improves global generalization. Surprisingly, we uncover that fully connected communication at the final step, implemented by a single global merging, is sufficient to match the performance of server-based training. We further show that low communication in decentralized learning preserves the \textit{mergeability} of local models throughout training. Our theoretical contributions, which explains these phenomena, are first to establish that the globally merged model of decentralized SGD can converge faster than centralized mini-batch SGD. Technically, we novelly reinterpret part of the discrepancy among local models, which were previously considered as detrimental noise, as constructive components that accelerate convergence. This work challenges the common belief that decentralized learning generalizes poorly under data heterogeneity and limited communication, while offering new insights into model merging and neural network loss landscapes.

Advancing Loss Functions in Recommender Systems: A Comparative Study with a Rényi Divergence-Based Solution

Loss functions play a pivotal role in optimizing recommendation models. Among various loss functions, Softmax Loss (SL) and Cosine Contrastive Loss (CCL) are particularly effective. Their theoretical connections and differences warrant in-depth exploration. This work conducts comprehensive analyses of these losses, yielding significant insights: 1) Common strengths -- both can be viewed as augmentations of traditional losses with Distributional Robust Optimization (DRO), enhancing robustness to distributional shifts; 2) Respective limitations -- stemming from their use of different distribution distance metrics in DRO optimization, SL exhibits high sensitivity to false negative instances, whereas CCL suffers from low data utilization. To address these limitations, this work proposes a new loss function, DrRL, which generalizes SL and CCL by leveraging R\'enyi-divergence in DRO optimization. DrRL incorporates the advantageous structures of both SL and CCL, and can be demonstrated to effectively mitigate their limitations. Extensive experiments have been conducted to validate the superiority of DrRL on both recommendation accuracy and robustness.

GUI-Robust: A Comprehensive Dataset for Testing GUI Agent Robustness in Real-World Anomalies

The development of high-quality datasets is crucial for benchmarking and advancing research in Graphical User Interface (GUI) agents. Despite their importance, existing datasets are often constructed under idealized conditions, overlooking the diverse anomalies frequently encountered in real-world deployments. To address this limitation, we introduce GUI-Robust, a novel dataset designed for comprehensive GUI agent evaluation, explicitly incorporating seven common types of anomalies observed in everyday GUI interactions. Furthermore, we propose a semi-automated dataset construction paradigm that collects user action sequences from natural interactions via RPA tools and then generate corresponding step and task descriptions for these actions with the assistance of MLLMs. This paradigm significantly reduces annotation time cost by a factor of over 19 times. Finally, we assess state-of-the-art GUI agents using the GUI-Robust dataset, revealing their substantial performance degradation in abnormal scenarios. We anticipate that our work will highlight the importance of robustness in GUI agents and inspires more future research in this direction. The dataset and code are available at https://github.com/chessbean1/GUI-Robust..

Geometric Regularity in Deterministic Sampling of Diffusion-based Generative Models

Diffusion-based generative models employ stochastic differential equations (SDEs) and their equivalent probability flow ordinary differential equations (ODEs) to establish a smooth transformation between complex high-dimensional data distributions and tractable prior distributions. In this paper, we reveal a striking geometric regularity in the deterministic sampling dynamics: each simulated sampling trajectory lies within an extremely low-dimensional subspace, and all trajectories exhibit an almost identical ''boomerang'' shape, regardless of the model architecture, applied conditions, or generated content. We characterize several intriguing properties of these trajectories, particularly under closed-form solutions based on kernel-estimated data modeling. We also demonstrate a practical application of the discovered trajectory regularity by proposing a dynamic programming-based scheme to better align the sampling time schedule with the underlying trajectory structure. This simple strategy requires minimal modification to existing ODE-based numerical solvers, incurs negligible computational overhead, and achieves superior image generation performance, especially in regions with only $5 \sim 10$ function evaluations.

Bridging the Gap: Self-Optimized Fine-Tuning for LLM-based Recommender Systems

Recent years have witnessed extensive exploration of Large Language Models (LLMs) on the field of Recommender Systems (RS). There are currently two commonly used strategies to enable LLMs to have recommendation capabilities: 1) The "Guidance-Only" strategy uses in-context learning to exploit and amplify the inherent semantic understanding and item recommendation capabilities of LLMs; 2) The "Tuning-Only" strategy uses supervised fine-tuning (SFT) to fine-tune LLMs with the aim of fitting them to real recommendation data. However, neither of these strategies can effectively bridge the gap between the knowledge space of LLMs and recommendation, and their performance do not meet our expectations. To better enable LLMs to learn recommendation knowledge, we combine the advantages of the above two strategies and proposed a novel "Guidance+Tuning" method called Self-Optimized Fine-Tuning (SOFT), which adopts the idea of curriculum learning. It first employs self-distillation to construct an auxiliary easy-to-learn but meaningful dataset from a fine-tuned LLM. Then it further utilizes a self-adaptive curriculum scheduler to enable LLMs to gradually learn from simpler data (self-distilled data) to more challenging data (real RS data). Extensive experiments demonstrate that SOFT significantly enhances the recommendation accuracy (37.59\% on average) of LLM-based methods. The code is available via https://anonymous.4open.science/r/Self-Optimized-Fine-Tuning-264E

Field Matters: A lightweight LLM-enhanced Method for CTR Prediction

Click-through rate (CTR) prediction is a fundamental task in modern recommender systems. In recent years, the integration of large language models (LLMs) has been shown to effectively enhance the performance of traditional CTR methods. However, existing LLM-enhanced methods often require extensive processing of detailed textual descriptions for large-scale instances or user/item entities, leading to substantial computational overhead. To address this challenge, this work introduces LLaCTR, a novel and lightweight LLM-enhanced CTR method that employs a field-level enhancement paradigm. Specifically, LLaCTR first utilizes LLMs to distill crucial and lightweight semantic knowledge from small-scale feature fields through self-supervised field-feature fine-tuning. Subsequently, it leverages this field-level semantic knowledge to enhance both feature representation and feature interactions. In our experiments, we integrate LLaCTR with six representative CTR models across four datasets, demonstrating its superior performance in terms of both effectiveness and efficiency compared to existing LLM-enhanced methods. Our code is available at https://anonymous.4open.science/r/LLaCTR-EC46.

MSL: Not All Tokens Are What You Need for Tuning LLM as a Recommender

Large language models (LLMs), known for their comprehension capabilities and extensive knowledge, have been increasingly applied to recommendation systems (RS). Given the fundamental gap between the mechanism of LLMs and the requirement of RS, researchers have focused on fine-tuning LLMs with recommendation-specific data to enhance their performance. Language Modeling Loss (LML), originally designed for language generation tasks, is commonly adopted. However, we identify two critical limitations of LML: 1) it exhibits significant divergence from the recommendation objective; 2) it erroneously treats all fictitious item descriptions as negative samples, introducing misleading training signals. To address these limitations, we propose a novel Masked Softmax Loss (MSL) tailored for fine-tuning LLMs on recommendation. MSL improves LML by identifying and masking invalid tokens that could lead to fictitious item descriptions during loss computation. This strategy can effectively avoid the interference from erroneous negative signals and ensure well alignment with the recommendation objective supported by theoretical guarantees. During implementation, we identify a potential challenge related to gradient vanishing of MSL. To overcome this, we further introduce the temperature coefficient and propose an Adaptive Temperature Strategy (ATS) that adaptively adjusts the temperature without requiring extensive hyperparameter tuning. Extensive experiments conducted on four public datasets further validate the effectiveness of MSL, achieving an average improvement of 42.24% in NDCG@10. The code is available at https://github.com/WANGBohaO-jpg/MSL.