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Hao Yu

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2 published item(s)

preprint2026arXiv

ChemVA: Advancing Large Language Models on Chemical Reaction Diagrams Understanding

While Large Language Models (LLMs) have revolutionized scientific text processing, they exhibit a significant capability gap when interpreting chemical reaction diagrams. We identify two fundamental bottlenecks restricting current systems: a Visual Deficit, where generic vision encoders struggle to resolve the strict topological connectivity of dense molecular graphs, and a Semantic Disconnect, where standard linear strings, such as SMILES, fail to effectively activate the model's latent chemical reasoning. To bridge these gaps, we propose the Chemical Visual Activation (ChemVA) framework, which employs a Visual Anchor mechanism to ground functional groups via hybrid-granularity detection, followed by a semantic alignment approach that translates visual features into entity names to maximize knowledge activation in LLMs. We evaluate our approach on OCRD-Bench, a newly constructed dataset featuring dense visual-semantic contexts and comprehensive reaction coverage to evaluate the full spectrum from recognition to reasoning. Extensive experiments on OCRD-Bench demonstrate that ChemVA achieves 92.0% structural recognition accuracy. By bridging visual and semantic bottlenecks, our framework delivers a consistent performance gain of approximately 20 percentage points across 9 diverse LLMs, enabling open-weight models to rival proprietary SOTA systems in complex chemical reasoning tasks.

preprint2026arXiv

Joint Energy Management and Coordinated AIGC Workload Scheduling for Distributed Data Centers: A Diffusion-Aided Reward Shaping Approach

Artificial intelligence-generated content (AIGC) has emerged as a transformative paradigm for automating the creation of diverse and customized content, giving rise to rapidly growing computational workloads in cloud data centers. It is imperative for AIGC service providers (ASPs) to strategically schedule AIGC workloads to reduce data center energy costs while guaranteeing high-quality content generation. However, the distinctive characteristics of AIGC services pose critical challenges, including model heterogeneity across ASPs, implicit service quality evaluation, and complex inference process control. To tackle these challenges, we propose a joint energy management and coordinated AIGC workload scheduling framework, which introduces an explicit mathematical characterization of service quality to promote both job transfer among ASPs and fine-grained inference process configuration. Moreover, various energy resources within data centers are jointly considered to enhance power usage flexibility. Subsequently, a system utility maximization problem is formulated to balance AIGC service revenue with operational penalties and costs. Nevertheless, the strong coupling among job scheduling decisions induces severe reward sparsity, which limits the effectiveness of existing deep reinforcement learning (DRL) algorithms. To address this issue, we develop a diffusion model-aided reward shaping approach to synthesize complementary reward signals through a multi-step denoising process. This approach is seamlessly integrated with DRL to enable efficient learning of scheduling policies under sparse environmental feedback. Experiments based on real-world models and datasets demonstrate that our scheme effectively accommodates electricity price fluctuations and AIGC model heterogeneity, while achieving superior learning convergence and system utility compared with benchmark methods.