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With the advent of artificial intelligence and machine learning, various domains of science and engineering communities have leveraged data-driven surrogates to model complex systems through fusing numerous sources of information (data)…

In many applications of finance, biology and sociology, complex systems involve entities interacting with each other. These processes have the peculiarity of evolving over time and of comprising latent factors, which influence the system…

Machine Learning · Statistics 2018-08-03 Federico Tomasi , Veronica Tozzo , Saverio Salzo , Alessandro Verri

We propose a novel probabilistic framework, termed LVM-GP, for uncertainty quantification in solving forward and inverse partial differential equations (PDEs) with noisy data. The core idea is to construct a stochastic mapping from the…

Machine Learning · Statistics 2025-07-31 Xiaodong Feng , Ling Guo , Xiaoliang Wan , Hao Wu , Tao Zhou , Wenwen Zhou

Graphs are a powerful tool for representing and analyzing unstructured, non-Euclidean data ubiquitous in the healthcare domain. Two prominent examples are molecule property prediction and brain connectome analysis. Importantly, recent works…

Machine Learning · Computer Science 2022-04-04 Kamilia Mullakaeva , Luca Cosmo , Anees Kazi , Seyed-Ahmad Ahmadi , Nassir Navab , Michael M. Bronstein

Transformed Gaussian Processes (TGPs) are stochastic processes specified by transforming samples from the joint distribution from a prior process (typically a GP) using an invertible transformation; increasing the flexibility of the base…

Machine Learning · Computer Science 2023-11-03 Francisco Javier Sáez-Maldonado , Juan Maroñas , Daniel Hernández-Lobato

Estimating the structure of directed acyclic graphs (DAGs) of features (variables) plays a vital role in revealing the latent data generation process and providing causal insights in various applications. Although there have been many…

Machine Learning · Computer Science 2024-03-06 Shaohua Fan , Shuyang Zhang , Xiao Wang , Chuan Shi

Differential graphical models are designed to represent the difference between the conditional dependence structures of two groups, thus are of particular interest for scientific investigation. Motivated by modern applications, this…

Statistics Theory · Mathematics 2021-02-03 Sen Na , Mladen Kolar , Oluwasanmi Koyejo

Directed acyclic graphs (DAGs) constitute a central modeling tool to enable principled reasoning about cause-effect interactions in complex systems. However, since the causal structure underlying a group of variables is often unknown and…

Machine Learning · Statistics 2026-05-25 Gonzalo Mateos , Samuel Rey , Hamed Ajorlou , Mariano Tepper

This paper develops a general framework for learning interpretable data representation via Long Short-Term Memory (LSTM) recurrent neural networks over hierarchal graph structures. Instead of learning LSTM models over the pre-fixed…

Computer Vision and Pattern Recognition · Computer Science 2017-03-10 Xiaodan Liang , Liang Lin , Xiaohui Shen , Jiashi Feng , Shuicheng Yan , Eric P. Xing

New biological assays like Perturb-seq link highly parallel CRISPR interventions to a high-dimensional transcriptomic readout, providing insight into gene regulatory networks. Causal gene regulatory networks can be represented by directed…

Machine Learning · Statistics 2024-02-22 Albert Xue , Jingyou Rao , Sriram Sankararaman , Harold Pimentel

Modeling response surfaces with abrupt jumps and discontinuities remains a major challenge across scientific and engineering domains. Although Gaussian process models excel at capturing smooth nonlinear relationships, their stationarity…

Machine Learning · Statistics 2025-12-16 Isaac Adjetey , Yiyuan She

Directed Acyclic Graphs (DAGs) are central to uncovering causal structure in complex systems, yet learning a single DAG from data is often challenging: model uncertainty, finite samples, and a combinatorially large search space frequently…

Methodology · Statistics 2026-05-19 Yunan Wu , Yue Wang , Chunlin Li , Chenglong Ye

Learning a faithful directed acyclic graph (DAG) from samples of a joint distribution is a challenging combinatorial problem, owing to the intractable search space superexponential in the number of graph nodes. A recent breakthrough…

Machine Learning · Computer Science 2019-04-24 Yue Yu , Jie Chen , Tian Gao , Mo Yu

Dynamic graphs arise in various real-world applications, and it is often welcomed to model the dynamics directly in continuous time domain for its flexibility. This paper aims to design an easy-to-use pipeline (termed as EasyDGL which is…

Machine Learning · Computer Science 2024-08-20 Chao Chen , Haoyu Geng , Nianzu Yang , Xiaokang Yang , Junchi Yan

This work introduces the Efficient Transformed Gaussian Process (ETGP), a new way of creating C stochastic processes characterized by: 1) the C processes are non-stationary, 2) the C processes are dependent by construction without needing a…

Machine Learning · Computer Science 2022-06-01 Juan Maroñas , Daniel Hernández-Lobato

We present a novel methodology to jointly perform multi-task learning and infer intrinsic relationship among tasks by an interpretable and sparse graph. Unlike existing multi-task learning methodologies, the graph structure is not assumed…

Machine Learning · Computer Science 2020-09-15 Shujian Yu , Francesco Alesiani , Ammar Shaker , Wenzhe Yin

Accurate traffic prediction is a challenging task in intelligent transportation systems because of the complex spatio-temporal dependencies in transportation networks. Many existing works utilize sophisticated temporal modeling approaches…

Machine Learning · Computer Science 2022-07-25 Guangyin Jin , Fuxian Li , Jinlei Zhang , Mudan Wang , Jincai Huang

Structured sparse optimization is an important and challenging problem for analyzing high-dimensional data in a variety of applications such as bioinformatics, medical imaging, social networks, and astronomy. Although a number of structured…

Artificial Intelligence · Computer Science 2016-10-03 Baojian Zhou , Feng Chen

A key goal of unsupervised learning is to go beyond density estimation and sample generation to reveal the structure inherent within observed data. Such structure can be expressed in the pattern of interactions between explanatory latent…

Machine Learning · Computer Science 2022-11-11 Changmin Yu , Hugo Soulat , Neil Burgess , Maneesh Sahani

Despite the high performance of neural network-based time series forecasting methods, the inherent challenge in explaining their predictions has limited their applicability in certain application areas. Due to the difficulty in identifying…

Machine Learning · Computer Science 2023-01-09 Ozan Ozyegen , Juyoung Wang , Mucahit Cevik