13 citations · 52 across the 22 of their papers we have counts for
22 papers
TrinityDNA: A Bio-Inspired Foundational Model for Efficient Long-Sequence DNA Modeling
Qirong Yang, Yucheng Guo, Zicheng Liu +7
The modeling of genomic sequences presents unique challenges due to their length and structural complexity. Traditional sequence models struggle to capture long-range dependencies…
Tokenizing Electron Cloud in Protein-Ligand Interaction Learning
Haitao Lin, Odin Zhang, Jia Xu +6
The affinity and specificity of protein-molecule binding directly impact functional outcomes, uncovering the mechanisms underlying biological regulation and signal transduction. Mo…
A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer
Lirong Wu, Yunfan Liu, Haitao Lin +4
The proteins that exist today have been optimized over billions of years of natural evolution, during which nature creates random mutations and selects them. The discovery of funct…
FlowTS: Time Series Generation via Rectified Flow
Yang Hu, Xiao Wang, Zezhen Ding +7
Diffusion-based models have significant achievements in time series generation but suffer from inefficient computation: solving high-dimensional ODEs/SDEs via iterative numerical s…
Learning to Model Graph Structural Information on MLPs via Graph Structure Self-Contrasting
Lirong Wu, Haitao Lin, Guojiang Zhao +2
Recent years have witnessed great success in handling graph-related tasks with Graph Neural Networks (GNNs). However, most existing GNNs are based on message passing to perform fea…
A Survey on Mixup Augmentations and Beyond
Xin Jin, Hongyu Zhu, Siyuan Li +6
As Deep Neural Networks have achieved thrilling breakthroughs in the past decade, data augmentations have garnered increasing attention as regularization techniques when massive la…
Teach Harder, Learn Poorer: Rethinking Hard Sample Distillation for GNN-to-MLP Knowledge Distillation
Lirong Wu, Yunfan Liu, Haitao Lin +2
To bridge the gaps between powerful Graph Neural Networks (GNNs) and lightweight Multi-Layer Perceptron (MLPs), GNN-to-MLP Knowledge Distillation (KD) proposes to distill knowledge…
The Heterophilic Graph Learning Handbook: Benchmarks, Models, Theoretical Analysis, Applications and Challenges
Sitao Luan, Chenqing Hua, Qincheng Lu +11
Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of…
Short-Long Convolutions Help Hardware-Efficient Linear Attention to Focus on Long Sequences
Zicheng Liu, Siyuan Li, Li Wang +3
To mitigate the computational complexity in the self-attention mechanism on long sequences, linear attention utilizes computation tricks to achieve linear complexity, while state s…
GenBench: A Benchmarking Suite for Systematic Evaluation of Genomic Foundation Models
Zicheng Liu, Jiahui Li, Siyuan Li +5
The Genomic Foundation Model (GFM) paradigm is expected to facilitate the extraction of generalizable representations from massive genomic data, thereby enabling their application…
VQDNA: Unleashing the Power of Vector Quantization for Multi-Species Genomic Sequence Modeling
Siyuan Li, Zedong Wang, Zicheng Liu +5
Similar to natural language models, pre-trained genome language models are proposed to capture the underlying intricacies within genomes with unsupervised sequence modeling. They h…
CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
Haitao Lin, Guojiang Zhao, Odin Zhang +7
Structure-based drug design (SBDD) aims to generate potential drugs that can bind to a target protein and is greatly expedited by the aid of AI techniques in generative models. How…
Learning to Predict Mutation Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical Prompt Learning
Lirong Wu, Yijun Tian, Haitao Lin +4
Protein-protein bindings play a key role in a variety of fundamental biological processes, and thus predicting the effects of amino acid mutations on protein-protein binding is cru…
PPFlow: Target-aware Peptide Design with Torsional Flow Matching
Haitao Lin, Odin Zhang, Huifeng Zhao +5
Therapeutic peptides have proven to have great pharmaceutical value and potential in recent decades. However, methods of AI-assisted peptide drug discovery are not fully explored.…
LongVQ: Long Sequence Modeling with Vector Quantization on Structured Memory
Zicheng Liu, Li Wang, Siyuan Li +3
Transformer models have been successful in various sequence processing tasks, but the self-attention mechanism's computational cost limits its practicality for long sequences. Alth…
FoldToken: Learning Protein Language via Vector Quantization and Beyond
Zhangyang Gao, Cheng Tan, Jue Wang +3
Is there a foreign language describing protein sequences and structures simultaneously? Protein structures, represented by continuous 3D points, have long posed a challenge due to…
Protein 3D Graph Structure Learning for Robust Structure-based Protein Property Prediction
Yufei Huang, Siyuan Li, Jin Su +9
Protein structure-based property prediction has emerged as a promising approach for various biological tasks, such as protein function prediction and sub-cellular location estimati…
Non-equispaced Fourier Neural Solvers for PDEs
Haitao Lin, Lirong Wu, Yongjie Xu +4
Solving partial differential equations is difficult. Recently proposed neural resolution-invariant models, despite their effectiveness and efficiency, usually require equispaced sp…
Are Gradients on Graph Structure Reliable in Gray-box Attacks?
Zihan Liu, Yun Luo, Lirong Wu +3
Graph edge perturbations are dedicated to damaging the prediction of graph neural networks by modifying the graph structure. Previous gray-box attackers employ gradients from the s…
Discovering the Representation Bottleneck of Graph Neural Networks
Fang Wu, Siyuan Li, Stan Z. Li
Graph neural networks (GNNs) rely mainly on the message-passing paradigm to propagate node features and build interactions, and different graph learning problems require different…
Harnessing Hard Mixed Samples with Decoupled Regularizer
Zicheng Liu, Siyuan Li, Ge Wang +3
Mixup is an efficient data augmentation approach that improves the generalization of neural networks by smoothing the decision boundary with mixed data. Recently, dynamic mixup met…
AutoMix: Unveiling the Power of Mixup for Stronger Classifiers
Zicheng Liu, Siyuan Li, Di Wu +4
Data mixing augmentation have proved to be effective in improving the generalization ability of deep neural networks. While early methods mix samples by hand-crafted policies (e.g.…