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The aim in many sciences is to understand the mechanisms that underlie the observed distribution of variables, starting from a set of initial hypotheses. Causal discovery allows us to infer mechanisms as sets of cause and effect…

Machine Learning · Computer Science 2025-03-05 Ashka Shah , Adela DePavia , Nathaniel Hudson , Ian Foster , Rick Stevens

Intrinsic interpretability of graph neural networks (GNNs) is to find a small subset of the input graph's features -- rationale -- which guides the model prediction. Unfortunately, the leading rationalization models often rely on data…

Machine Learning · Computer Science 2022-02-01 Ying-Xin Wu , Xiang Wang , An Zhang , Xiangnan He , Tat-Seng Chua

In graph classification, attention and pooling-based graph neural networks (GNNs) prevail to extract the critical features from the input graph and support the prediction. They mostly follow the paradigm of learning to attend, which…

Machine Learning · Computer Science 2022-06-14 Yongduo Sui , Xiang Wang , Jiancan Wu , Min Lin , Xiangnan He , Tat-Seng Chua

Neural Architecture Search (NAS) has recently gained increased attention, as a class of approaches that automatically searches in an input space of network architectures. A crucial part of the NAS pipeline is the encoding of the…

Machine Learning · Computer Science 2021-08-18 Michail Chatzianastasis , George Dasoulas , Georgios Siolas , Michalis Vazirgiannis

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

Machine Learning · Computer Science 2022-12-20 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

Graph Neural Networks (GNNs) have achieved impressive performance in graph-related tasks. However, they suffer from poor generalization on out-of-distribution (OOD) data, as they tend to learn spurious correlations. Such correlations…

Machine Learning · Statistics 2026-03-26 Bowen Lu , Liangqiang Yang , Teng Li

Recently proposed neural architecture search (NAS) methods co-train billions of architectures in a supernet and estimate their potential accuracy using the network weights detached from the supernet. However, the ranking correlation between…

Computer Vision and Pattern Recognition · Computer Science 2021-08-24 Jiefeng Peng , Jiqi Zhang , Changlin Li , Guangrun Wang , Xiaodan Liang , Liang Lin

Performance predictors have emerged as a promising method to accelerate the evaluation stage of neural architecture search (NAS). These predictors estimate the performance of unseen architectures by learning from the correlation between a…

Machine Learning · Computer Science 2025-06-05 Han Ji , Yuqi Feng , Jiahao Fan , Yanan Sun

When engaging in end-to-end graph representation learning with Graph Neural Networks (GNNs), the intricate causal relationships and rules inherent in graph data pose a formidable challenge for the model in accurately capturing authentic…

Machine Learning · Computer Science 2024-06-14 Hang Gao , Peng Qiao , Yifan Jin , Fengge Wu , Jiangmeng Li , Changwen Zheng

Causal discovery from observational data is challenging, especially with large datasets and complex relationships. Traditional methods often struggle with scalability and capturing global structural information. To overcome these…

Machine Learning · Computer Science 2025-07-29 Rezaur Rashid , Gabriel Terejanu

Weight sharing is a fundamental concept in neural architecture search (NAS), enabling gradient-based methods to explore cell-based architectural spaces significantly faster than traditional black-box approaches. In parallel,…

Machine Learning · Computer Science 2025-11-11 Rhea Sanjay Sukthanker , Arjun Krishnakumar , Mahmoud Safari , Frank Hutter

Neural Architecture Search (NAS) methods are widely used in various industries to obtain high quality taskspecific solutions with minimal human intervention. Event Sequences find widespread use in various industrial applications including…

Neural architecture search (NAS) has gained significant traction in automating the design of neural networks. To reduce search time, differentiable architecture search (DAS) reframes the traditional paradigm of discrete candidate sampling…

Machine Learning · Computer Science 2025-11-26 Xiaoyun Liu , Divya Saxena , Jiannong Cao , Yuqing Zhao , Penghui Ruan

Convolutional Neural Networks (CNN) have been regarded as a capable class of models for visual recognition problems. Nevertheless, it is not trivial to develop generic and powerful network architectures, which requires significant efforts…

Computer Vision and Pattern Recognition · Computer Science 2019-09-24 Zhaofan Qiu , Ting Yao , Yiheng Zhang , Yongdong Zhang , Tao Mei

Automatic methods for generating state-of-the-art neural network architectures without human experts have generated significant attention recently. This is because of the potential to remove human experts from the design loop which can…

Machine Learning · Computer Science 2019-11-22 George Adam , Jonathan Lorraine

Graph Transformers (GTs) have emerged as powerful architectures for graph-structured data, yet remain constrained by rigid designs and lack quantifiable interpretability. Current state-of-the-art GTs commit to fixed GNN types across all…

Machine Learning · Computer Science 2025-11-03 Shruti Sarika Chakraborty , Peter Minary

With the growing complexity of cyberattacks targeting critical infrastructures such as water treatment networks, there is a pressing need for robust anomaly detection strategies that account for both system vulnerabilities and evolving…

Machine Learning · Computer Science 2025-08-14 Arun Vignesh Malarkkan , Haoyue Bai , Dongjie Wang , Yanjie Fu

One of the key steps in Neural Architecture Search (NAS) is to estimate the performance of candidate architectures. Existing methods either directly use the validation performance or learn a predictor to estimate the performance. However,…

Computer Vision and Pattern Recognition · Computer Science 2021-04-07 Yaofo Chen , Yong Guo , Qi Chen , Minli Li , Wei Zeng , Yaowei Wang , Mingkui Tan

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

Machine Learning · Computer Science 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Neural architecture search has shown its great potential in various areas recently. However, existing methods rely heavily on a black-box controller to search architectures, which suffers from the serious problem of lacking…

Machine Learning · Computer Science 2020-09-29 Xinyue Zheng , Peng Wang , Qigang Wang , Zhongchao Shi