Researcher profile

Yihan Zhu

Yihan Zhu contributes to research discovery and scholarly infrastructure.

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Artificial Intelligence Machine Learning Computation and Language Computer Vision

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preprint2026arXiv

AlignVTOFF: Texture-Spatial Feature Alignment for High-Fidelity Virtual Try-Off

Virtual Try-Off (VTOFF) is a challenging multimodal image generation task that aims to synthesize high-fidelity flat-lay garments under complex geometric deformation and rich high-frequency textures. Existing methods often rely on lightweight modules for fast feature extraction, which struggles to preserve structured patterns and fine-grained details, leading to texture attenuation during generation.To address these issues, we propose AlignVTOFF, a novel parallel U-Net framework built upon a Reference U-Net and Texture-Spatial Feature Alignment (TSFA). The Reference U-Net performs multi-scale feature extraction and enhances geometric fidelity, enabling robust modeling of deformation while retaining complex structured patterns. TSFA then injects the reference garment features into a frozen denoising U-Net via a hybrid attention design, consisting of a trainable cross-attention module and a frozen self-attention module. This design explicitly aligns texture and spatial cues and alleviates the loss of high-frequency information during the denoising process.Extensive experiments across multiple settings demonstrate that AlignVTOFF consistently outperforms state-of-the-art methods, producing flat-lay garment results with improved structural realism and high-frequency detail fidelity.

preprint2026arXiv

Controllable Molecular Generative Foundation Models

Despite the success of foundation models in language and vision, molecular graph generation still lacks a unified framework for heterogeneous design tasks with reliable controllability. While reinforcement learning (RL) offers a natural post-training mechanism for task-specific optimization, applying it to graph generative models is hindered by the vast atom-wise action spaces and chemically invalid intermediate states. We propose \textbf{Co}ntrollable \textbf{Mole}cular Generative Foundation Models (CoMole), built with a unified motif-aware graph diffusion pipeline. By learning a motif-aware graph space, CoMole transfers pretrained structural priors into controllable generation, where RL optimizes conditional reverse policies over chemically meaningful decisions. We theoretically characterize the bottleneck of atom-level RL and justify motif-aware policy optimization. Across three heterogeneous benchmarks spanning materials and drug discovery, CoMole ranks first in controllability on all nine targets, reduces MAE by up to 48.2% relative to the strongest baselines, and maintains validity above 0.94 without rule-based correction or post-hoc filtering. We further show that CoMole transfers controllability to unseen properties by optimizing only task embeddings with the generator frozen, achieving performance competitive with strong task-specific baselines.

preprint2026arXiv

Hypergraph Enterprise Agentic Reasoner over Heterogeneous Business Systems

Applying Large Language Models (LLMs) to heterogeneous enterprise systems is hindered by hallucinations and failures in multi-hop, n-ary reasoning. Existing paradigms (e.g., GraphRAG, NL2SQL) lack the semantic grounding and auditable execution required for these complex environments. We introduce HEAR, an enterprise agentic reasoner built on a Stratified Hypergraph Ontology. Its base Graph Layer virtualizes provenance-aware data interfaces, while the Hyperedge Layer encodes n-ary business rules and procedural protocols. Operating an evidence-driven reasoning loop, HEAR dynamically orchestrates ontology tools for structured multi-hop analysis without requiring LLM retraining. Evaluations on supply-chain tasks, including order fulfillment blockage root cause analysis (RCA), show HEAR achieves up to 94.7% accuracy. Crucially, HEAR demonstrates adaptive efficiency: utilizing procedural hyperedges to minimize token costs, while leveraging topological exploration for rigorous correctness on complex queries. By matching proprietary model performance with open-weight backbones and automating manual diagnostics, HEAR establishes a scalable, auditable foundation for enterprise intelligence.

preprint2026arXiv

Learning Repetition-Invariant Representations for Polymer Informatics

Polymers are large macromolecules composed of repeating structural units known as monomers and are widely applied in fields such as energy storage, construction, medicine, and aerospace. However, existing graph neural network methods, though effective for small molecules, only model the single unit of polymers and fail to produce consistent vector representations for the true polymer structure with varying numbers of units. To address this challenge, we introduce Graph Repetition Invariance (GRIN), a novel method to learn polymer representations that are invariant to the number of repeating units in their graph representations. GRIN integrates a graph-based maximum spanning tree alignment with repeat-unit augmentation to ensure structural consistency. We provide theoretical guarantees for repetition-invariance from both model and data perspectives, demonstrating that three repeating units are the minimal augmentation required for optimal invariant representation learning. GRIN outperforms state-of-the-art baselines on both homopolymer and copolymer benchmarks, learning stable, repetition-invariant representations that generalize effectively to polymer chains of unseen sizes.

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