Mean-field variational inference (VI), despite its scalability, is limited by the independence assumption, making it unsuitable for scenarios with correlated data instances. Existing structured VI methods either focus on correlations among latent dimensions which lack scalability for modeling instance-level correlations, or are restricted to simple first-order dependencies, limiting their expressiveness. In this paper, we propose High-order Tree-structured Variational Inference (HoT-VI)2, that explicitly models k-order instance-level correlations among latent variables. By expressing the global posterior through overlapping k-dimensional local marginals, our method enables efficient parameterized sampling via a sequential procedure. To ensure the validity of these marginals, we introduce a conditional correlation parameterization method that guarantees positive definiteness of their correlation matrices. We further extend our method with a tree-structured backbone to capture more flexible dependency patterns. Extensive experiments on time-series and graphstructured datasets demonstrate that modeling higher-order correlations leads to significantly improved posterior approximations and better performance across various downstream tasks.

Masked graph modeling (MGM) is a promising approach for molecular representation learning (MRL). However, extending the success of re-mask decoding from 2D to 3DMGM is non-trivial, primarily due to two conflicting challenges: avoiding 2D structure leakage to the decoder, while still providing sufficient 2D context for reconstructing re-masked atoms. To address these challenges, we propose 3D-GSRD: a 3DMolecular Graph Auto-Encoder with Selective Re-mask Decoding.

Real-world data distributions often shift continuously across multiple latent factors such as time, geography, and socioeconomic contexts. However, existing domain generalization approaches typically treat domains as discrete or as evolving along a single axis (e.g., time). This oversimplification fails to capture the complex, multidimensional nature of real-world variation. This paper introduces the task of Continuous Domain Generalization (CDG), which aims to generalize predictive models to unseen domains defined by arbitrary combinations of continuous variations. We present a principled framework grounded in geometric and algebraic theories, showing that optimal model parameters across domains lie on a low-dimensional manifold. To model this structure, we propose a Neural Lie Transport Operator (NeuralLio), which enables structure-preserving parameter transitions by enforcing geometric continuity and algebraic consistency. To handle noisy or incomplete domain variation descriptors, we introduce a gating mechanism to suppress irrelevant dimensions and a local chart-based strategy for robust generalization. Extensive experiments on synthetic and real-world datasets, including remote sensing, scientific documents, and traffic forecasting, demonstrate that our method significantly outperforms existing baselines in both generalization accuracy and robustness.

Adversarial attacks on face recognition systems (FRSs) pose serious security and privacy threats, especially when these systems are used for identity verification. In this paper, we propose a novel method for generating adversarial faces--synthetic facial images that are visually distinct yet recognized as a target identity by the FRS.

LLM routing aims to select the most appropriate model for each query, balancing competing performance metrics such as accuracy and cost across a pool of language models. Prior approaches typically adopt a decoupled strategy, where metrics are first predicted and the model is then selected based on these estimates. This setup is prone to compounding errors and often relies on full-feedback data, where each query is evaluated by all candidate models, which is costly to obtain and maintain in practice. In contrast, we learn from observational data, which records only the outcome of the model actually deployed. We propose a causal end-to-end framework that learns routing policies by minimizing decision-making regret from observational data. To enable efficient optimization, we introduce two theoretically grounded surrogate objectives: a classification-based upper bound, and a softmaxweighted regret approximation shown to recover the optimal policy at convergence. We further extend our framework to handle heterogeneous cost preferences via an interval-conditioned architecture. Experiments on public benchmarks show that our method outperforms existing baselines, achieving state-of-the-art performance across different embedding models.

Regulatory frameworks, such as the EUAIAct, encourage openness of generalpurpose AI models by offering legal exemptions for "open-source" models. Despite this legislative attention on openness, the definition of open-source foundation models remains ambiguous.

Despite their recent progress, Multimodal Large Language Models (MLLMs) often struggle in knowledge-intensive tasks due to the limited and outdated parametric knowledge acquired during training. Multimodal Retrieval Augmented Generation addresses this issue by retrieving contextual knowledge from external databases, thereby enhancing MLLMs with expanded knowledge sources. However, existing MLLMs often fail to fully leverage the retrieved contextual knowledge for response generation. We examine representative MLLMs and identify two major causes, namely, attention bias toward different tokens and knowledge conflicts between parametric and contextual knowledge. To this end, we design Adaptive Logits Fusion and Attention Reallocation (ALFAR), a training-free and plugand-play approach that improves MLLM responses by maximizing the utility of the retrieved knowledge. Specifically, ALFAR tackles the challenges from two perspectives.

As retrieval-augmented generation (RAG) becomes more widespread, the role of retrieval is shifting from retrieving information for human browsing to retrieving context for AI reasoning. This shift creates more complex search environments, where relevance is difficult to pre-define. Existing retrievers rely on supervised fine-tuning (SFT) with human labels or synthetic data, resulting in static relevance that struggles to adapt to diverse RAG environments. To address this challenge, we propose R3, a Retrieval framework optimized for RAG through Reinforcement learning (RL). Specifically, we adopt an RL training paradigm that enables the retriever to explore and self-improve within given RAG environments, automating the learning process with minimal manual experimentation or tuning effort. Extensive experiments across diverse tasks demonstrate that R3 improves RAG performance by 5.2% over the original retriever and surpasses state-of-the-art retrievers by 4.9%, while achieving comparable results to LLM-augmented retrieval and RAG systems built on post-trained or instruction-tuned LLMs. It is both efficient and practical, requiring only 4 GPUs and completing training within a single day.

Sparse Mixture of Experts (MoE) architectures have emerged as a promising approach for scaling Transformer models. While initial works primarily incorporated MoE into feed-forward network (FFN) layers, recent studies have explored extending the MoE paradigm to attention layers to enhance model performance. However, existing attention-based MoE layers require specialized implementations and demonstrate suboptimal performance compared to their FFN-based counterparts. In this paper, we aim to unify MoE designs in attention and FFN layers by introducing a novel reformulation of the attention mechanism, that reveals an underlying FFN-like structure within attention modules. Our proposed architecture, UMoE, achieves superior performance through attention-based MoE layers while enabling efficient parameter sharing between FFN and attention components.

Recent large language models (LLMs) with long Chain-of-Thought reasoning--such as DeepSeek-R1--have achieved impressive results on Olympiad-level mathematics benchmarks. However, they often rely on a narrow set of strategies and struggle with problems that require a novel way of thinking [33]. To systematically investigate these limitations, we introduce OMEGA--Out-of-distribution Math Problems Evaluation with 3 Generalization Axes--a controlled yet diverse benchmark designed to evaluate three axes of out-of-distribution generalization, inspired by Boden's typology of creativity [4]: (1) Exploratory--applying known problemsolving skills to more complex instances within the same problem domain; (2) Compositional--combining distinct reasoning skills, previously learned in isolation, to solve novel problems that require integrating these skills in new and coherent ways; and (3) Transformative--adopting novel, often unconventional strategies by moving beyond familiar approaches to solve problems more effectively. OMEGA consists of programmatically generated training-test pairs derived from templated problem generators across geometry, number theory, algebra, combinatorics, logic, and puzzles, with solutions verified using symbolic, numerical, or graphical methods. We evaluate frontier (or top-tier) LLMs and observe sharp performance degradation as problem complexity increases. Moreover, we fine-tune the Qwenseries models across all generalization settings and observe notable improvements in exploratory generalization, while compositional generalization remains limited and transformative reasoning shows little to no improvement. By isolating and quantifying these fine-grained failures, OMEGA lays the groundwork for advancing LLMs toward genuine mathematical creativity beyond mechanical proficiency.