activity
20232026
most citedCycleChemist: A Dual-Pronged Machine Learning Framework for Organic Photovoltaic Discovery

1 citations · 3 across the 9 of their papers we have counts for

collaborators

10 papers

cs.LG2026

Discrete Diffusion Models: A Unified Framework from Tokenization to Generation

Ye Yuan, Weien Li, Rui Song +20

Discrete denoising diffusion models (DDMs) have recently emerged as a compelling alternative to autoregressive (AR) modeling for discrete data, offering parallel generation and ite…

cs.AI2026

Evaluating the Diversity of AI-Generated Content with Diversity Profiles

Xiuyuan Hu, Xuege Hou, Guoqing Liu +6

Diversity is a fundamental criterion for evaluating generative artificial intelligence (AI) systems, yet its measurement remains inherently ambiguous. Existing approaches typically…

cond-mat.mtrl-sci20251 cited

CycleChemist: A Dual-Pronged Machine Learning Framework for Organic Photovoltaic Discovery

Hou Hei Lam, Jiangjie Qiu, Xiuyuan Hu +5

Organic photovoltaic (OPV) materials offer a promising path toward sustainable energy generation, but their development is limited by the difficulty of identifying high performance…

cs.IR2025

Leveraging Reference Documents for Zero-Shot Ranking via Large Language Models

Jieran Li, Xiuyuan Hu, Yang Zhao +2

Large Language Models (LLMs) have demonstrated exceptional performance in the task of text ranking for information retrieval. While Pointwise ranking approaches offer computational…

cs.LG20251 cited

Accelerating High-Efficiency Organic Photovoltaic Discovery via Pretrained Graph Neural Networks and Generative Reinforcement Learning

Jiangjie Qiu, Hou Hei Lam, Xiuyuan Hu +5

Organic photovoltaic (OPV) materials offer a promising avenue toward cost-effective solar energy utilization. However, optimizing donor-acceptor (D-A) combinations to achieve high…

cs.CE2025

TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design

Xiuyuan Hu, Guoqing Liu, Can Chen +3

Structure-based drug design (SBDD) is a critical task in drug discovery, requiring the generation of molecular information across two distinct modalities: discrete molecular graphs…