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Graph Neural Networks (GNN) show great promise in problems dealing with graph-structured data. One of the unique points of GNNs is their flexibility to adapt to multiple problems, which not only leads to wide applicability, but also poses…

Machine Learning · Computer Science 2022-06-17 Axel Wassington , Sergi Abadal

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…

Automated planning is one of the foundational areas of AI. Since no single planner can work well for all tasks and domains, portfolio-based techniques have become increasingly popular in recent years. In particular, deep learning emerges as…

Artificial Intelligence · Computer Science 2019-11-21 Tengfei Ma , Patrick Ferber , Siyu Huo , Jie Chen , Michael Katz

For many types of machine learning algorithms, one can compute the statistically `optimal' way to select training data. In this paper, we review how optimal data selection techniques have been used with feedforward neural networks. We then…

Artificial Intelligence · Computer Science 2014-11-17 D. A. Cohn , Z. Ghahramani , M. I. Jordan

Link prediction is a fundamental problem in graph data analysis. While most of the literature focuses on transductive link prediction that requires all the graph nodes and majority of links in training, inductive link prediction, which only…

Machine Learning · Computer Science 2021-10-01 Huidong Liang , Junbin Gao

Graph Neural Networks (GNNs) have enjoyed wide spread applications in graph-structured data. However, existing graph based applications commonly lack annotated data. GNNs are required to learn latent patterns from a limited amount of…

Machine Learning · Computer Science 2023-03-22 Wenqi Wei , Mu Qiao , Divyesh Jadav

This paper studies graphical model selection, i.e., the problem of estimating a graph of statistical relationships among a collection of random variables. Conventional graphical model selection algorithms are passive, i.e., they require all…

Machine Learning · Statistics 2014-04-15 Divyanshu Vats , Robert D. Nowak , Richard G. Baraniuk

Deep learning has revolutionized many industries by enabling models to automatically learn complex patterns from raw data, reducing dependence on manual feature engineering. However, deep learning algorithms are sensitive to input data, and…

Machine Learning · Computer Science 2025-07-21 Mert Sehri , Zehui Hua , Francisco de Assis Boldt , Patrick Dumond

Network-linked data, where multivariate observations are interconnected by a network, are becoming increasingly prevalent in fields such as sociology and biology. These data often exhibit inherent noise and complex relational structures,…

Methodology · Statistics 2025-09-11 Jianxiang Wang , Can M. Le , Tianxi Li

A major goal in genomics is to properly capture the complex dynamical behaviors of gene regulatory networks (GRNs). This includes inferring the complex interactions between genes, which can be used for a wide range of genomics analyses,…

Molecular Networks · Quantitative Biology 2023-01-18 Mohammad Alali , Mahdi Imani

The inverse statistical problem of finding direct interactions in complex networks is difficult. In the natural sciences, well-controlled perturbation experiments are widely used to probe the structure of complex networks. However, our…

Disordered Systems and Neural Networks · Physics 2019-10-24 Jialong Jiang , David A. Sivak , Matt Thomson

Neural networks are vulnerable to adversarial attacks: adding well-crafted, imperceptible perturbations to their input can modify their output. Adversarial training is one of the most effective approaches to training robust models against…

Machine Learning · Computer Science 2023-08-09 Hadi M. Dolatabadi , Sarah Erfani , Christopher Leckie

Many real-world systems can be modeled as dynamic graphs, where nodes and edges evolve over time, requiring specialized models to capture their evolving dynamics in risk-sensitive applications effectively. Temporal graph neural networks…

Machine Learning · Computer Science 2025-01-16 Jayadratha Gayen , Himanshu Pal , Naresh Manwani , Charu Sharma

Motivated by modern applications such as computerized adaptive testing, sequential rank aggregation, and heterogeneous data source selection, we study the problem of active sequential estimation, which involves adaptively selecting…

Statistics Theory · Mathematics 2024-02-14 Xiaoou Li , Hongru Zhao

Neural network based generative models with discriminative components are a powerful approach for semi-supervised learning. However, these techniques a) cannot account for model uncertainty in the estimation of the model's discriminative…

Machine Learning · Statistics 2017-06-30 Jonathan Gordon , José Miguel Hernández-Lobato

We consider the problem of predicting perturbation effects via causal models. In many applications, it is a priori unknown which mechanisms of a system are modified by an external perturbation, even though the features of the perturbation…

Machine Learning · Computer Science 2025-07-02 Nora Schneider , Lars Lorch , Niki Kilbertus , Bernhard Schölkopf , Andreas Krause

Backpropagation (BP) remains the dominant and most successful method for training parameters of deep neural network models. However, BP relies on two computationally distinct phases, does not provide a satisfactory explanation of biological…

Machine Learning · Computer Science 2025-11-12 Sander Dalm , Marcel van Gerven , Nasir Ahmad

Graph neural networks (GNNs) are commonly used in semi-supervised settings. Previous research has primarily focused on finding appropriate graph filters (e.g. aggregation methods) to perform well on both homophilic and heterophilic graphs.…

Machine Learning · Computer Science 2025-01-17 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

In this work, a novel approach for the construction and training of time series models is presented that deals with the problem of learning on large time series with non-equispaced observations, which at the same time may possess features…

Machine Learning · Computer Science 2020-11-25 Charilaos Mylonas , Eleni Chatzi

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