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Small disturbances can trigger functional breakdowns in complex systems. A challenging task is to infer the structural cause of a disturbance in a networked system, soon enough to prevent a catastrophe. We present a graph neural network…

We consider structure discovery of undirected graphical models from observational data. Inferring likely structures from few examples is a complex task often requiring the formulation of priors and sophisticated inference procedures.…

机器学习 · 统计学 2017-08-04 Eugene Belilovsky , Kyle Kastner , Gaël Varoquaux , Matthew Blaschko

With the unprecedented proliferation of machine learning software, there is an ever-increasing need to generate efficient code for such applications. State-of-the-art deep-learning compilers like TVM and Halide incorporate a learning-based…

机器学习 · 计算机科学 2021-08-31 Shikhar Singh , Benoit Steiner , James Hegarty , Hugh Leather

The problem of graph learning concerns the construction of an explicit topological structure revealing the relationship between nodes representing data entities, which plays an increasingly important role in the success of many graph-based…

机器学习 · 统计学 2021-10-20 Xingyue Pu , Siu Lun Chau , Xiaowen Dong , Dino Sejdinovic

The study of networks has witnessed an explosive growth over the past decades with several ground-breaking methods introduced. A particularly interesting -- and prevalent in several fields of study -- problem is that of inferring a function…

This paper explores the applications and challenges of graph neural networks (GNNs) in processing complex graph data brought about by the rapid development of the Internet. Given the heterogeneity and redundancy problems that graph data…

机器学习 · 计算机科学 2024-10-24 Jianjun Wei , Yue Liu , Xin Huang , Xin Zhang , Wenyi Liu , Xu Yan

We propose a novel graph-driven generative model, that unifies multiple heterogeneous learning tasks into the same framework. The proposed model is based on the fact that heterogeneous learning tasks, which correspond to different…

机器学习 · 计算机科学 2019-11-21 Wenlin Wang , Hongteng Xu , Zhe Gan , Bai Li , Guoyin Wang , Liqun Chen , Qian Yang , Wenqi Wang , Lawrence Carin

This paper introduces a novel graph signal processing framework for building graph-based models from classes of filtered signals. In our framework, graph-based modeling is formulated as a graph system identification problem, where the goal…

机器学习 · 计算机科学 2018-03-08 Hilmi E. Egilmez , Eduardo Pavez , Antonio Ortega

Graphs are complex objects that do not lend themselves easily to typical learning tasks. Recently, a range of approaches based on graph kernels or graph neural networks have been developed for graph classification and for representation…

机器学习 · 计算机科学 2022-05-19 Chen Cai , Yusu Wang

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…

For many classification and regression problems, a large number of features are available for possible use - this is typical of DNA microarray data on gene expression, for example. Often, for computational or other reasons, only a small…

统计理论 · 数学 2007-06-13 Longhai Li , Jianguo Zhang , Radford M. Neal

Machine learning methods can detect complex relationships between variables, but usually do not exploit domain knowledge. This is a limitation because in many scientific disciplines, such as systems biology, domain knowledge is available in…

人工智能 · 计算机科学 2023-07-31 Bastian Pfeifer , Hubert Baniecki , Anna Saranti , Przemyslaw Biecek , Andreas Holzinger

Timely detected anomalies in the chemical technological processes, as well as the earliest detection of the cause of the fault, significantly reduce the production cost in the industrial factories. Data on the state of the technological…

人工智能 · 计算机科学 2022-10-21 Alexander Kovalenko , Vitaliy Pozdnyakov , Ilya Makarov

We consider multivariate two-sample tests of means, where the location shift between the two populations is expected to be related to a known graph structure. An important application of such tests is the detection of differentially…

应用统计 · 统计学 2012-07-02 Laurent Jacob , Pierre Neuvial , Sandrine Dudoit

Graph Neural Networks (GNNs) have achieved remarkable success in various applications, but their performance can be sensitive to specific data properties of the graph datasets they operate on. Current literature on understanding the…

机器学习 · 计算机科学 2023-10-31 Ting Wei Li , Qiaozhu Mei , Jiaqi Ma

Graph kernels are usually defined in terms of simpler kernels over local substructures of the original graphs. Different kernels consider different types of substructures. However, in some cases they have similar predictive performances,…

机器学习 · 计算机科学 2016-07-22 Nicolò Navarin , Alessandro Sperduti , Riccardo Tesselli

The availability of graph data with node attributes that can be either discrete or real-valued is constantly increasing. While existing kernel methods are effective techniques for dealing with graphs having discrete node labels, their…

机器学习 · 计算机科学 2024-10-30 Giovanni Da San Martino , Nicolò Navarin , Alessandro Sperduti

In evolutionary computation, it is commonly assumed that a search algorithm acquires knowledge about a problem instance by sampling solutions from the search space and evaluating them with a fitness function. This is necessarily inefficient…

神经与进化计算 · 计算机科学 2024-11-12 Piotr Wyrwiński , Krzysztof Krawiec

Provenance is a record that describes how entities, activities, and agents have influenced a piece of data; it is commonly represented as graphs with relevant labels on both their nodes and edges. With the growing adoption of provenance in…

机器学习 · 计算机科学 2021-09-16 David Kohan Marzagão , Trung Dong Huynh , Ayah Helal , Sean Baccas , Luc Moreau

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

机器学习 · 计算机科学 2022-06-08 Zhaoning Yu , Hongyang Gao