activity
20232026
most citedSample-efficient Multi-objective Molecular Optimization with GFlowNets

6 citations · 17 across the 10 of their papers we have counts for

collaborators

12 papers

cs.CL2026

Func-R1: Incentivizing Mathematical Function Reasoning in Multimodal Large Language Models

Mingze Yin, Xiaohan Wang, Dian Li +8

Performing deliberate mathematical reasoning in visual contexts is a hallmark of advanced Multimodal Large Language Models (MLLMs) and requires a sophisticated synthesis of percept…

cs.LG2025★ 3 cited

ProtFlow: Fast Protein Sequence Design via Flow Matching on Compressed Protein Language Model Embeddings

Zitai Kong, Yiheng Zhu, Yinlong Xu +7

The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion mode…

cs.LG2025

A Generalist Cross-Domain Molecular Learning Framework for Structure-Based Drug Discovery

Yiheng Zhu, Mingyang Li, Junlong Liu +7

Structure-based drug discovery (SBDD) is a systematic scientific process that develops new drugs by leveraging the detailed physical structure of the target protein. Recent advance…

cs.LG2024

SALM: Sequence-Structure Pre-trained Large Language Model for Comprehensive Antibody Representation Learning

Mingze Yin, Hanjing Zhou, Jialu Wu +8

Antibodies safeguard our health through their precise and potent binding to specific antigens, demonstrating promising therapeutic efficacy in the treatment of numerous diseases, i…

cs.LG2024★ 1 cited

Bridge-IF: Learning Inverse Protein Folding with Markov Bridges

Yiheng Zhu, Jialu Wu, Qiuyi Li +7

Inverse protein folding is a fundamental task in computational protein design, which aims to design protein sequences that fold into the desired backbone structures. While the deve…

cs.CL2024★ 2 cited

Structure-Enhanced Protein Instruction Tuning: Towards General-Purpose Protein Understanding with LLMs

Wei Wu, Chao Wang, Liyi Chen +6

Proteins, as essential biomolecules, play a central role in biological processes, including metabolic reactions and DNA replication. Accurate prediction of their properties and fun…

cs.AI2024

Multi-Modal CLIP-Informed Protein Editing

Mingze Yin, Hanjing Zhou, Yiheng Zhu +8

Proteins govern most biological functions essential for life, but achieving controllable protein discovery and optimization remains challenging. Recently, machine learning-assisted…

cs.CL2024★ 2 cited

Making Pre-trained Language Models Great on Tabular Prediction

Jiahuan Yan, Bo Zheng, Hongxia Xu +5

The transferability of deep neural networks (DNNs) has made significant progress in image and language processing. However, due to the heterogeneity among tables, such DNN bonus is…

q-bio.BM2024

Generative AI for Controllable Protein Sequence Design: A Survey

Yiheng Zhu, Zitai Kong, Jialu Wu +6

The design of novel protein sequences with targeted functionalities underpins a central theme in protein engineering, impacting diverse fields such as drug discovery and enzymatic…

cs.CV2023★ 1 cited

GCL: Gradient-Guided Contrastive Learning for Medical Image Segmentation with Multi-Perspective Meta Labels

Yixuan Wu, Jintai Chen, Jiahuan Yan +3

Since annotating medical images for segmentation tasks commonly incurs expensive costs, it is highly desirable to design an annotation-efficient method to alleviate the annotation…

cs.LG2023★ 2 cited

MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation

Yiheng Zhu, Zhenqiu Ouyang, Ben Liao +5

Molecular de novo design is a critical yet challenging task in scientific fields, aiming to design novel molecular structures with desired property profiles. Significant progress h…

cs.LG2023★ 6 cited

Sample-efficient Multi-objective Molecular Optimization with GFlowNets

Yiheng Zhu, Jialu Wu, Chaowen Hu +4

Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical s…