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Graphical causal models are an important tool for knowledge discovery because they can represent both the causal relations between variables and the multivariate probability distributions over the data. Once learned, causal graphs can be…

Artificial Intelligence · Computer Science 2017-04-11 Andrew J Sedgewick , Joseph D. Ramsey , Peter Spirtes , Clark Glymour , Panayiotis V. Benos

Graph neural networks (GNNs) have found widespread application in modeling graph data across diverse domains. While GNNs excel in scenarios where the testing data shares the distribution of their training counterparts (in distribution, ID),…

Machine Learning · Computer Science 2024-01-15 Luzhi Wang , Dongxiao He , He Zhang , Yixin Liu , Wenjie Wang , Shirui Pan , Di Jin , Tat-Seng Chua

We present a new methodology for detecting out-of-distribution (OOD) images by utilizing norms of the score estimates at multiple noise scales. A score is defined to be the gradient of the log density with respect to the input data. Our…

Machine Learning · Computer Science 2021-03-24 Ahsan Mahmood , Junier Oliva , Martin Styner

Inferring objects and their relationships from an image in the form of a scene graph is useful in many applications at the intersection of vision and language. We consider a challenging problem of compositional generalization that emerges…

Computer Vision and Pattern Recognition · Computer Science 2021-10-04 Boris Knyazev , Harm de Vries , Cătălina Cangea , Graham W. Taylor , Aaron Courville , Eugene Belilovsky

In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be…

Machine Learning · Computer Science 2023-11-02 Gleb Bazhenov , Denis Kuznedelev , Andrey Malinin , Artem Babenko , Liudmila Prokhorenkova

Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area of research. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant…

Machine Learning · Computer Science 2025-01-06 Qixun Wang , Yifei Wang , Yisen Wang , Xianghua Ying

Computer vision applications predict on digital images acquired by a camera from physical scenes through light. However, conventional robustness benchmarks rely on perturbations in digitized images, diverging from distribution shifts…

Computer Vision and Pattern Recognition · Computer Science 2024-04-26 Eunsu Baek , Keondo Park , Jiyoon Kim , Hyung-Sin Kim

A well-known limitation of existing molecular generative models is that the generated molecules highly resemble those in the training set. To generate truly novel molecules that may have even better properties for de novo drug discovery,…

Biomolecules · Quantitative Biology 2023-06-06 Seul Lee , Jaehyeong Jo , Sung Ju Hwang

Predictive machine learning models generally excel on in-distribution data, but their performance degrades on out-of-distribution (OOD) inputs. Reliable deployment therefore requires robust OOD detection, yet this is particularly…

Machine Learning · Computer Science 2026-02-19 David Graber , Victor Armegioiu , Rebecca Buller , Siddhartha Mishra

Recent years have witnessed significant advancements in machine learning methods on graphs. However, transferring knowledge effectively from one graph to another remains a critical challenge. This highlights the need for algorithms capable…

Machine Learning · Computer Science 2025-12-16 Xinwei Tai , Dongmian Zou , Hongfei Wang

Out-of-distribution (OOD) generalisation aims to build a model that can generalise well on an unseen target domain using knowledge from multiple source domains. To this end, the model should seek the causal dependence between inputs and…

Computer Vision and Pattern Recognition · Computer Science 2023-06-14 Toan Nguyen , Kien Do , Duc Thanh Nguyen , Bao Duong , Thin Nguyen

The goal of Out-of-Distribution (OOD) generalization problem is to train a predictor that generalizes on all environments. Popular approaches in this field use the hypothesis that such a predictor shall be an \textit{invariant predictor}…

Machine Learning · Statistics 2021-11-29 Masanori Koyama , Shoichiro Yamaguchi

We consider estimation of a total causal effect from observational data via covariate adjustment. Ideally, adjustment sets are selected based on a given causal graph, reflecting knowledge of the underlying causal structure. Valid adjustment…

Statistics Theory · Mathematics 2020-12-23 Janine Witte , Leonard Henckel , Marloes H. Maathuis , Vanessa Didelez

Generalization to out-of-distribution (OOD) data is one of the central problems in modern machine learning. Recently, there is a surge of attempts to propose algorithms that mainly build upon the idea of extracting invariant features.…

Machine Learning · Computer Science 2021-11-09 Haotian Ye , Chuanlong Xie , Tianle Cai , Ruichen Li , Zhenguo Li , Liwei Wang

Recent object detectors have achieved impressive accuracy in identifying objects seen during training. However, real-world deployment often introduces novel and unexpected objects, referred to as out-of-distribution (OOD) objects, posing…

Machine Learning · Computer Science 2025-11-20 Quang-Huy Nguyen , Jin Peng Zhou , Zhenzhen Liu , Khanh-Huyen Bui , Kilian Q. Weinberger , Wei-Lun Chao , Dung D. Le

Covariate shift, a widely used assumption in tackling {\it distributional shift} (when training and test distributions differ), focuses on scenarios where the distribution of the labels conditioned on the feature vector is the same, but the…

Machine Learning · Computer Science 2025-02-24 Deeksha Adil , Jarosław Błasiok

Conventional supervised learning methods, especially deep ones, are found to be sensitive to out-of-distribution (OOD) examples, largely because the learned representation mixes the semantic factor with the variation factor due to their…

Machine Learning · Statistics 2021-11-02 Chang Liu , Xinwei Sun , Jindong Wang , Haoyue Tang , Tao Li , Tao Qin , Wei Chen , Tie-Yan Liu

Spatiotemporal prediction over graphs (STPG) is crucial for transportation systems. In existing STPG models, an adjacency matrix is an important component that captures the relations among nodes over graphs. However, most studies calculate…

Machine Learning · Computer Science 2024-11-26 Zhaobin Mo , Qingyuan Liu , Baohua Yan , Longxiang Zhang , Xuan Di

Graph neural networks (GNNs) have exhibited remarkable performance under the assumption that test data comes from the same distribution of training data. However, in real-world scenarios, this assumption may not always be valid.…

Machine Learning · Computer Science 2024-02-15 Kai Guo , Hongzhi Wen , Wei Jin , Yaming Guo , Jiliang Tang , Yi Chang

Out-of-distribution (OOD) learning often relies heavily on statistical approaches or predefined assumptions about OOD data distributions, hindering their efficacy in addressing multifaceted challenges of OOD generalization and OOD detection…

Machine Learning · Computer Science 2024-08-16 Haoyue Bai , Xuefeng Du , Katie Rainey , Shibin Parameswaran , Yixuan Li
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