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cs.LG2026

MemNovo: Look Back at the Spectrum for Balanced De Novo Peptide Sequencing from Mass Spectrometry

Dongxin Lyu, Jingbo Zhou, Hongxin Xiang +2

De novo peptide sequencing from tandem mass spectrometry is pivotal in proteomics, enabling identification of novel peptides without reference databases. While recent Transformer-b…

cs.LG2026

Doloris: Dual Conditional Diffusion Implicit Bridges with Sparsity Masking Strategy for Unpaired Single-Cell Perturbation Estimation

Changxi Chi, Jun Xia, Yufei Huang +9

Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficienc…

cs.LG2026

VecFormer: Towards Efficient and Generalizable Graph Transformer with Graph Token Attention

Jingbo Zhou, Jun Xia, Siyuan Li +11

Graph Transformer has demonstrated impressive capabilities in the field of graph representation learning. However, existing approaches face two critical challenges: (1) most models…

cs.LG2025

Departures: Distributional Transport for Single-Cell Perturbation Prediction with Neural Schrödinger Bridges

Changxi Chi, Yufei Huang, Jun Xia +4

Predicting single-cell perturbation outcomes directly advances gene function analysis and facilitates drug candidate selection, making it a key driver of both basic and translation…

cs.LG2025

PRESCRIBE: Predicting Single-Cell Responses with Bayesian Estimation

Jiabei Cheng, Changxi Chi, Jingbo Zhou +2

In single-cell perturbation prediction, a central task is to forecast the effects of perturbing a gene unseen in the training data. The efficacy of such predictions depends on two…

cs.LG2025

NodeReg: Mitigating the Imbalance and Distribution Shift Effects in Semi-Supervised Node Classification via Norm Consistency

Shenzhi Yang, Jun Xia, Jingbo Zhou +2

Aggregating information from neighboring nodes benefits graph neural networks (GNNs) in semi-supervised node classification tasks. Nevertheless, this mechanism also renders nodes s…