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Learning with guidance has proven effective across a wide range of machine learning systems. Guidance may, for example, come from annotated datasets in supervised learning, pseudo-labels in semi-supervised learning, and expert demonstration…

Machine Learning · Computer Science 2025-10-01 Rui Liu , Peng Gao , Yu Shen , Ming Lin , Pratap Tokekar

Predicting transcriptional responses to unseen genetic perturbations is essential for understanding gene regulation and prioritizing large-scale perturbation experiments. Existing approaches either rely on static, potentially incomplete…

Personalizing diffusion models using limited data presents significant challenges, including overfitting, loss of prior knowledge, and degradation of text alignment. Overfitting leads to shifts in the noise prediction distribution,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-04 JungWoo Chae , Jiyoon Kim , JaeWoong Choi , Kyungyul Kim , Sangheum Hwang

The transcriptional response to genetic perturbation reveals fundamental insights into complex cellular systems. While current approaches have made progress in predicting genetic perturbation responses, they provide limited biological…

Molecular Networks · Quantitative Biology 2026-04-02 Yuanfang Xiang , Lun Ai

Current deep regression models usually learn in a point-wise way that treats each sample as an independent input, neglecting the relative ordering among different data. Consequently, the regression model could neglect the data's…

Machine Learning · Computer Science 2025-02-11 Fuhang Liang , Rucong Xu , Deng Lin

Predicting the responses of a cell under perturbations may bring important benefits to drug discovery and personalized therapeutics. In this work, we propose a novel graph variational Bayesian causal inference framework to predict a cell's…

Predicting how genetic perturbations change cellular state is a core problem for building controllable models of gene regulation. Perturbations targeting the same gene can produce different transcriptional responses depending on their…

Genomics · Quantitative Biology 2026-02-12 Boyang Fu , George Dasoulas , Sameer Gabbita , Xiang Lin , Shanghua Gao , Xiaorui Su , Soumya Ghosh , Marinka Zitnik

In real-world applications, data often come in a growing manner, where the data volume and the number of classes may increase dynamically. This will bring a critical challenge for learning: given the increasing data volume or the number of…

Machine Learning · Computer Science 2021-07-02 Shuaicheng Niu , Jiaxiang Wu , Guanghui Xu , Yifan Zhang , Yong Guo , Peilin Zhao , Peng Wang , Mingkui Tan

Although much progress has been made towards robust deep learning, a significant gap in robustness remains between real-world perturbations and more narrowly defined sets typically studied in adversarial defenses. In this paper, we aim to…

Machine Learning · Computer Science 2020-10-09 Eric Wong , J. Zico Kolter

In recent years, pre-training Graph Neural Networks (GNNs) through self-supervised learning on unlabeled graph data has emerged as a widely adopted paradigm in graph learning. Although the paradigm is effective for pre-training powerful GNN…

Machine Learning · Computer Science 2025-10-28 Yuhan Yang , Xingbo Fu , Jundong Li

We train a neural network to predict distributional responses in gene expression following genetic perturbations. This is an essential task in early-stage drug discovery, where such responses can offer insights into gene function and inform…

Highly distributed training of Deep Neural Networks (DNNs) on future compute platforms (offering 100 of TeraOps/s of computational capacity) is expected to be severely communication constrained. To overcome this limitation, new gradient…

Machine Learning · Computer Science 2017-12-08 Chia-Yu Chen , Jungwook Choi , Daniel Brand , Ankur Agrawal , Wei Zhang , Kailash Gopalakrishnan

Genomic studies face a vast hypothesis space, while interventions such as gene perturbations remain costly and time-consuming. To accelerate such experiments, gene perturbation models predict the transcriptional outcome of interventions.…

Quantitative Methods · Quantitative Biology 2025-10-21 George Panagopoulos , Johannes F. Lutzeyer , Sofiane Ennadir , Michalis Vazirgiannis , Jun Pang

Pre-training Graph Foundation Models (GFMs) on text-attributed graphs (TAGs) is central to web-scale applications such as search, recommendation, and knowledge discovery. However, existing CLIP-style graph-text aligners face two key…

Machine Learning · Computer Science 2025-10-23 Yuhang Liu , Minglai Shao , Zengyi Wo , Yunlong Chu , Bing Hao , Shengzhong Liu , Ruijie Wang , Jianxin Li

Image retrieval aims to identify visually similar images within a database using a given query image. Traditional methods typically employ both global and local features extracted from images for matching, and may also apply re-ranking…

Computer Vision and Pattern Recognition · Computer Science 2024-05-29 Sihe Zhang , Qingdong He , Jinlong Peng , Yuxi Li , Zhengkai Jiang , Jiafu Wu , Mingmin Chi , Yabiao Wang , Chengjie Wang

Graph Domain Adaptation (GDA) transfers knowledge from labeled source graphs to unlabeled target graphs but is challenged by complex, multi-faceted distributional shifts. Existing methods attempt to reduce distributional shifts by aligning…

Machine Learning · Computer Science 2026-03-19 Wei Chen , Xingyu Guo , Shuang Li , Zhao Zhang , Yan Zhong , Fuzhen Zhuang , Deqing wang

Neural networks struggle on small tabular datasets, where tree-based models remain dominant. We introduce Adaptive Contrastive Approach (AdaCap), a training scheme that combines a permutation-based contrastive loss with a Tikhonov-based…

Machine Learning · Computer Science 2025-11-26 Bruno Belucci , Karim Lounici , Katia Meziani

Current deep neural networks are highly overparameterized (up to billions of connection weights) and nonlinear. Yet they can fit data almost perfectly through variants of gradient descent algorithms and achieve unexpected levels of…

Graph neural networks (GNNs) have demonstrated great success in representation learning for graph-structured data. The layer-wise graph convolution in GNNs is shown to be powerful at capturing graph topology. During this process, GNNs are…

Machine Learning · Computer Science 2021-12-10 Mingxuan Ju , Shifu Hou , Yujie Fan , Jianan Zhao , Liang Zhao , Yanfang Ye

Planning effective interventions in biological systems requires treatment-effect models that adapt to unseen biological contexts by identifying their specific underlying mechanisms. Yet single-cell perturbation datasets span only a handful…

Machine Learning · Computer Science 2026-05-08 Marvin Sextro , Weronika Kłos , Gabriel Dernbach
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