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Recent advances in graph convolutional networks have significantly improved the performance of chemical predictions, raising a new research question: "how do we explain the predictions of graph convolutional networks?" A possible approach…

Machine Learning · Computer Science 2018-07-06 Hirotaka Akita , Kosuke Nakago , Tomoki Komatsu , Yohei Sugawara , Shin-ichi Maeda , Yukino Baba , Hisashi Kashima

Due to its causal semantics, Bayesian networks (BN) have been widely employed to discover the underlying data relationship in exploratory studies, such as brain research. Despite its success in modeling the probability distribution of…

Computer Vision and Pattern Recognition · Computer Science 2015-06-24 Luping Zhou , Lei Wang , Lingqiao Liu , Philip Ogunbona , Dinggang Shen

Accurate epidemic forecasting is a critical task in controlling disease transmission. Many deep learning-based models focus only on static or dynamic graphs when constructing spatial information, ignoring their relationship. Additionally,…

Machine Learning · Computer Science 2023-12-04 Junkai Mao , Yuexing Han , Gouhei Tanaka , Bing Wang

Numerical simulators are essential tools in the study of natural fluid-systems, but their performance often limits application in practice. Recent machine-learning approaches have demonstrated their ability to accelerate spatio-temporal…

Fluid Dynamics · Physics 2022-05-06 Mario Lino , Stathi Fotiadis , Anil A. Bharath , Chris Cantwell

We introduce a general framework for leveraging graph stream data for temporal prediction-based applications. Our proposed framework includes novel methods for learning an appropriate graph time-series representation, modeling and weighting…

Machine Learning · Computer Science 2020-09-22 Di Jin , Sungchul Kim , Ryan A. Rossi , Danai Koutra

The field of hypothesis generation promises to reduce costs in neuroscience by narrowing the range of interventional studies needed to study various phenomena. Existing machine learning methods can generate scientific hypotheses from…

Machine Learning · Computer Science 2025-07-04 Zachary C. Brown , David Carlson

We present the Temporal Graph Benchmark (TGB), a collection of challenging and diverse benchmark datasets for realistic, reproducible, and robust evaluation of machine learning models on temporal graphs. TGB datasets are of large scale,…

Deep neural networks offer numerous potential applications across geoscience, for example, one could argue that they are the state-of-the-art method for predicting faults in seismic datasets. In quantitative reservoir characterization…

Machine Learning · Computer Science 2021-05-26 Lukas Mosser , Ehsan Zabihi Naeini

Bayesian networks represent relations between variables using a directed acyclic graph (DAG). Learning the DAG is an NP-hard problem and exact learning algorithms are feasible only for small sets of variables. We propose two scalable…

Machine Learning · Computer Science 2021-07-02 Pierre Gillot , Pekka Parviainen

Bayesian networks are probabilistic graphical models widely employed to understand dependencies in high dimensional data, and even to facilitate causal discovery. Learning the underlying network structure, which is encoded as a directed…

Machine Learning · Statistics 2022-02-03 Jack Kuipers , Polina Suter , Giusi Moffa

Probabilistic graphical models (PGMs) provide a compact and flexible framework to model very complex real-life phenomena. They combine the probability theory which deals with uncertainty and logical structure represented by a graph which…

Machine Learning · Statistics 2023-02-01 Maryia Shpak

Without any assumptions about data generation, multiple causal models may explain our observations equally well. To avoid selecting a single arbitrary model that could result in unsafe decisions if it does not match reality, it is therefore…

Machine Learning · Computer Science 2025-01-13 Tristan Deleu

Within many real-world networks the links between pairs of nodes change over time. Thus, there has been a recent boom in studying temporal graphs. Recognizing patterns in temporal graphs requires a proximity measure to compare different…

Machine Learning · Computer Science 2020-07-07 Vincent Froese , Brijnesh Jain , Rolf Niedermeier , Malte Renken

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social…

Machine Learning · Computer Science 2020-10-12 Emanuele Rossi , Ben Chamberlain , Fabrizio Frasca , Davide Eynard , Federico Monti , Michael Bronstein

We develop an approach for Bayesian learning of spatiotemporal dynamical mechanistic models. Such learning consists of statistical emulation of the mechanistic system that can efficiently interpolate the output of the system from arbitrary…

Methodology · Statistics 2025-07-11 Sudipto Banerjee , Xiang Chen , Ian Frankenburg , Daniel Zhou

Multivariate time series (MTS) forecasting is an essential problem in many fields. Accurate forecasting results can effectively help decision-making. To date, many MTS forecasting methods have been proposed and widely applied. However,…

Machine Learning · Computer Science 2021-12-16 Ziheng Duan , Haoyan Xu , Yida Huang , Jie Feng , Yueyang Wang

Scene graph generation (SGG) endeavors to predict visual relationships between pairs of objects within an image. Prevailing SGG methods traditionally assume a one-off learning process for SGG. This conventional paradigm may necessitate…

Computer Vision and Pattern Recognition · Computer Science 2024-01-29 Tao He , Tongtong Wu , Dongyang Zhang , Guiduo Duan , Ke Qin , Yuan-Fang Li

Regional disaster resilience quantifies the changing nature of physical risks to inform policy instruments ranging from local immediate recovery to international sustainable development. While many existing state-of-practice methods have…

Machine Learning · Computer Science 2026-03-19 Joshua Dimasaka , Christian Geiß , Emily So

Estimating time-varying graphical models are of paramount importance in various social, financial, biological, and engineering systems, since the evolution of such networks can be utilized for example to spot trends, detect anomalies,…

Machine Learning · Statistics 2023-02-07 Hang Yu , Songwei Wu , Justin Dauwels

A key challenge in multi-agent systems is the design of intelligent agents solving real-world tasks in close interaction with other agents (e.g. humans), thereby being confronted with a variety of behavioral variations and limited knowledge…

Multiagent Systems · Computer Science 2020-07-13 Julian Bernhard , Alois Knoll
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