Haoyu Wang

Haoyu Wang, Jialin Liu, Xiaohan Chen et al.

Mixed-integer linear programming (MILP) stands as a notable NP-hard problem pivotal to numerous crucial industrial applications. The development of effective algorithms, the tuning of solvers, and the training of machine learning models for MILP resolution all hinge on access to extensive, diverse, and representative data. Yet compared to the abundant naturally occurring data in image and text realms, MILP is markedly data deficient, underscoring the vital role of synthetic MILP generation. We present DIG-MILP, a deep generative framework based on variational auto-encoder (VAE), adept at extracting deep-level structural features from highly limited MILP data and producing instances that closely mirror the target data. Notably, by leveraging the MILP duality, DIG-MILP guarantees a correct and complete generation space as well as ensures the boundedness and feasibility of the generated instances. Our empirical study highlights the novelty and quality of the instances generated by DIG-MILP through two distinct downstream tasks: (S1) Data sharing, where solver solution times correlate highly positive between original and DIG-MILP-generated instances, allowing data sharing for solver tuning without publishing the original data; (S2) Data Augmentation, wherein the DIG-MILP-generated instances bolster the generalization performance of machine learning models tasked with resolving MILP problems.

Sebastian Sanokowski, Wilhelm Berghammer, Martin Ennemoser et al.

Learning to sample from complex unnormalized distributions over discrete domains emerged as a promising research direction with applications in statistical physics, variational inference, and combinatorial optimization. Recent work has demonstrated the potential of diffusion models in this domain. However, existing methods face limitations in memory scaling and thus the number of attainable diffusion steps since they require backpropagation through the entire generative process. To overcome these limitations we introduce two novel training methods for discrete diffusion samplers, one grounded in the policy gradient theorem and the other one leveraging Self-Normalized Neural Importance Sampling (SN-NIS). These methods yield memory-efficient training and achieve state-of-the-art results in unsupervised combinatorial optimization. Numerous scientific applications additionally require the ability of unbiased sampling. We introduce adaptations of SN-NIS and Neural Markov Chain Monte Carlo that enable for the first time the application of discrete diffusion models to this problem. We validate our methods on Ising model benchmarks and find that they outperform popular autoregressive approaches. Our work opens new avenues for applying diffusion models to a wide range of scientific applications in discrete domains that were hitherto restricted to exact likelihood models.

Tianci Liu, Haoxiang Jiang, Tianze Wang et al.

Large language models (LLMs) have achieved impressive performance but face high computational costs and latency, limiting their deployment in resource-constrained settings. In contrast, small-scale LLMs (SLMs) are more efficient yet struggle to capture evolving real-world knowledge. Retrieval-augmented generation (RAG) helps by integrating external knowledge, but imperfect retrieval can introduce distracting noise that misleads SLMs. We propose RoseRAG, a robust RAG framework for SLMs via Margin-aware Preference Optimization. RoseRAG employs multi-turn prompting for detailed reasoning, rejection sampling for high-quality explanations, and contrastive preference selection to refine responses by maximizing the likelihood gap between preferred and non-preferred outputs. By integrating these components into a margin-aware optimization process, RoseRAG robustly enhances the accuracy and reliability of SLMs for RAG applications. Extensive experiments on three open-domain question answering benchmarks indicate that our innovative RoseRAG surpasses state-of-the-art baselines significantly.

Haoyu Wang, Chris M. Poskitt, Jun Sun et al.

Large Language Model (LLM) agents exhibit powerful autonomous capabilities across domains such as robotics, virtual assistants, and web automation. However, their stochastic behavior introduces significant safety risks that are difficult to anticipate. Existing rule-based enforcement systems, such as AgentSpec, focus on developing reactive safety rules, which typically respond only when unsafe behavior is imminent or has already occurred. These systems lack foresight and struggle with long-horizon dependencies and distribution shifts. To address these limitations, we propose Pro2Guard, a proactive runtime enforcement framework grounded in probabilistic reachability analysis. Pro2Guard abstracts agent behaviors into symbolic states and learns a Discrete-Time Markov Chain (DTMC) from execution traces. At runtime, it anticipates future risks by estimating the probability of reaching unsafe states, triggering interventions before violations occur when the predicted risk exceeds a user-defined threshold. By incorporating semantic validity checks and leveraging PAC bounds, Pro2Guard ensures statistical reliability while approximating the underlying ground-truth model. We evaluate Pro2Guard extensively across two safety-critical domains: embodied household agents and autonomous vehicles. In embodied agent tasks, Pro2Guard enforces safety early on up to 93.6% of unsafe tasks using low thresholds, while configurable modes (e.g., reflect) allow balancing safety with task success, maintaining up to 80.4% task completion. In autonomous driving scenarios, Pro2Guard achieves 100% prediction of traffic law violations and collisions, anticipating risks up to 38.66 seconds ahead.

Jialin Chen, Haolan Zuo, Haoyu Peter Wang et al.

Recent advancements in large-scale pre-training have shown the potential to learn generalizable representations for downstream tasks. In the graph domain, however, capturing and transferring structural information across different graph domains remains challenging, primarily due to the inherent differences in topological patterns across various contexts. Additionally, most existing models struggle to capture the complexity of rich graph structures, leading to inadequate exploration of the embedding space. To address these challenges, we propose GFSE, a universal graph structural encoder designed to capture transferable structural patterns across diverse domains such as molecular graphs, social networks, and citation networks. GFSE is the first cross-domain graph structural encoder pre-trained with multiple self-supervised learning objectives. Built on a Graph Transformer, GFSE incorporates attention mechanisms informed by graph inductive bias, enabling it to encode intricate multi-level and fine-grained topological features. The pre-trained GFSE produces generic and theoretically expressive positional and structural encoding for graphs, which can be seamlessly integrated with various downstream graph feature encoders, including graph neural networks for vectorized features and Large Language Models for text-attributed graphs. Comprehensive experiments on synthetic and real-world datasets demonstrate GFSE's capability to significantly enhance the model's performance while requiring substantially less task-specific fine-tuning. Notably, GFSE achieves state-of-the-art performance in 81.6% evaluated cases, spanning diverse graph models and datasets, highlighting its potential as a powerful and versatile encoder for graph-structured data.