Xinyi Zhu
Xinyi Zhu — researcher or builder tracked in the Angestrom contributor network.
Papers · 3
OLEDLM: A Unified Language Model for OLED Molecular Design
The development of organic light-emitting diode (OLED) materials faces the compounded challenges of an astronomically large chemical space, stringent quantum-chemical constraints, and a scarcity of labeled data. Although the question of OLED generation is important, few models have been trained effectively for this specific domain. We propose an inverse molecular design framework based on causal language models: given target optoelectronic properties (e.g., excitation energy, oscillator strength), our model directly generates OLED SMILES sequences satisfying the specified constraints. We emplo
Mean-to-Score Discrete Diffusion: Posterior-Mean Denoisers for Score Entropy
Score Entropy Discrete Diffusion (SEDD) parameterizes discrete reverse processes with unconstrained positive score ratios. While positivity guarantees nonnegative reverse jump rates, it does not ensure Bayes realizability: ratios at a noisy state need not be jointly induced by any clean-token posterior under the forward kernel. The score-entropy loss has the correct population optimum but does not enforce this constraint away from it. In a trained pure-uniform SEDD checkpoint, roughly one quarter of complete score vectors violate the coordinate box, while more than half lie inside it yet remai
EvoGraph-R1: Self-Evolving Multimodal Knowledge Hypergraphs for Agentic Retrieval
Retrieval-augmented generation (RAG) has emerged as a critical paradigm for grounding Multimodal Large Language Models (MLLMs) in external knowledge. Recent GraphRAG methods introduce structured entity-relation graphs to improve retrieval and reasoning. However, they remain limited by treating knowledge graphs as static data structures built offline and queried in a single pass. This static paradigm misaligns with the interactive, iterative nature of knowledge-intensive reasoning, creating three bottlenecks: (i) text-centric fragmentation that impedes cross-modal reasoning, (ii) frozen structu