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The goal of graph representation learning is to embed each vertex in a graph into a low-dimensional vector space. Existing graph representation learning methods can be classified into two categories: generative models that learn the…

Machine Learning · Computer Science 2017-11-23 Hongwei Wang , Jia Wang , Jialin Wang , Miao Zhao , Weinan Zhang , Fuzheng Zhang , Xing Xie , Minyi Guo

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

Machine Learning · Computer Science 2022-09-30 Gen Shi , Yifan Zhu , Wenjin Liu , Quanming Yao , Xuesong Li

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

Machine Learning · Statistics 2022-06-14 Hamed Shirzad , Kaveh Hassani , Danica J. Sutherland

Data-driven methods are widely used to develop physical models, but there still exist limitations that affect their performance, generalizability and robustness. By combining gene expression programming (GEP) with artificial neural network…

Computational Physics · Physics 2023-01-19 Haochen Li , Fabian Waschkowski , Yaomin Zhao , Richard D. Sandberg

Large-scale "pre-train and prompt learning" paradigms have demonstrated remarkable adaptability, enabling broad applications across diverse domains such as question answering, image recognition, and multimodal retrieval. This approach fully…

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Machine Learning · Computer Science 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Predictive monitoring of business processes is a subfield of process mining that aims to predict, among other things, the characteristics of the next event or the sequence of next events. Although multiple approaches based on deep learning…

Machine Learning · Computer Science 2021-12-24 Efrén Rama-Maneiro , Juan C. Vidal , Manuel Lama

Traffic control optimization is a challenging task for various traffic centers around the world and the majority of existing approaches focus only on developing adaptive methods under normal (recurrent) traffic conditions. Optimizing the…

Machine Learning · Computer Science 2021-03-16 Tuo Mao , Adriana-Simona Mihaita , Fang Chen , Hai L. Vu

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…

Deep neural networks are typically trained by uniformly sampling large datasets across epochs, despite evidence that not all samples contribute equally throughout learning. Recent work shows that progressively reducing the amount of…

Machine Learning · Computer Science 2026-04-15 Amar Gahir , Varshil Patel , Shreyank N Gowda

With neural networks having demonstrated their versatility and benefits, the need for their optimal performance is as prevalent as ever. A defining characteristic, hyperparameters, can greatly affect its performance. Thus engineers go…

Neural and Evolutionary Computing · Computer Science 2020-09-21 Keshav Ganapathy

Despite the recent success of artificial neural networks on a variety of tasks, we have little knowledge or control over the exact solutions these models implement. Instilling inductive biases -- preferences for some solutions over others…

Machine Learning · Computer Science 2024-02-02 Enyan Zhang , Michael A. Lepori , Ellie Pavlick

Training Graph Neural Networks (GNNs) on large graphs presents unique challenges due to the large memory and computing requirements. Distributed GNN training, where the graph is partitioned across multiple machines, is a common approach to…

Machine Learning · Computer Science 2024-06-26 Juan Cervino , Md Asadullah Turja , Hesham Mostafa , Nageen Himayat , Alejandro Ribeiro

Graph learning models have demonstrated great prowess in learning expressive representations from large-scale graph data in a wide variety of real-world scenarios. As a prevalent strategy for training powerful graph learning models, the…

Machine Learning · Computer Science 2025-06-11 Xingbo Fu , Zehong Wang , Zihan Chen , Jiazheng Li , Yaochen Zhu , Zhenyu Lei , Cong Shen , Yanfang Ye , Chuxu Zhang , Jundong Li

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective…

Machine Learning · Computer Science 2020-06-30 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Kai-Wei Chang , Yizhou Sun

Biological machine learning is often bottlenecked by a lack of scaled data. One promising route to relieving data bottlenecks is through high throughput screens, which can experimentally test the activity of $10^6-10^{12}$ protein sequences…

Machine Learning · Statistics 2025-10-21 Eli N. Weinstein , Andrei Slabodkin , Mattia G. Gollub , Elizabeth B. Wood

Dynamic graph neural networks have been widely used in modeling and representation learning of graph structure data. Current dynamic representation learning focuses on either discrete learning which results in temporal information loss or…

Machine Learning · Computer Science 2022-02-11 Yan Pang , Chao Liu

Model selection in Gaussian processes scales prohibitively with the size of the training dataset, both in time and memory. While many approximations exist, all incur inevitable approximation error. Recent work accounts for this error in the…

Machine Learning · Computer Science 2025-07-08 Jonathan Wenger , Kaiwen Wu , Philipp Hennig , Jacob R. Gardner , Geoff Pleiss , John P. Cunningham

Recurrent neural networks with differentiable attention mechanisms have had success in generative and classification tasks. We show that the classification performance of such models can be enhanced by guiding a randomly initialized model…

Machine Learning · Computer Science 2017-12-18 Jack Lindsey

The inference of gene regulatory networks from high throughput gene expression data is one of the major challenges in systems biology. This paper aims at analysing and comparing two different algorithmic approaches. The first approach uses…

Quantitative Methods · Quantitative Biology 2008-12-05 A. Braunstein , A. Pagnani , M. Weigt , R. Zecchina