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Deep Learning systems have achieved great success in the past few years, even surpassing human intelligence in several cases. As of late, they have also established themselves in the biomedical and healthcare domains, where they have shown…

Machine Learning · Computer Science 2022-10-06 Aristotelis Ballas , Christos Diou

Real-world multi-agent systems are often dynamic and continuous, where the agents co-evolve and undergo changes in their trajectories and interactions over time. For example, the COVID-19 transmission in the U.S. can be viewed as a…

Machine Learning · Computer Science 2024-03-04 Zijie Huang , Jeehyun Hwang , Junkai Zhang , Jinwoo Baik , Weitong Zhang , Dominik Wodarz , Yizhou Sun , Quanquan Gu , Wei Wang

Node representation learning by using Graph Neural Networks (GNNs) has been widely explored. However, in recent years, compelling evidence has revealed that GNN-based node representation learning can be substantially deteriorated by…

Machine Learning · Computer Science 2023-12-19 Jun Zhuang , Mohammad Al Hasan

Graph convolution is the core of most Graph Neural Networks (GNNs) and usually approximated by message passing between direct (one-hop) neighbors. In this work, we remove the restriction of using only the direct neighbors by introducing a…

Social and Information Networks · Computer Science 2022-04-06 Johannes Gasteiger , Stefan Weißenberger , Stephan Günnemann

Encouraging progress has been made towards Visual Question Answering (VQA) in recent years, but it is still challenging to enable VQA models to adaptively generalize to out-of-distribution (OOD) samples. Intuitively, recompositions of…

Computer Vision and Pattern Recognition · Computer Science 2021-10-05 Jingjing Jiang , Ziyi Liu , Yifan Liu , Zhixiong Nan , Nanning Zheng

Graph-level representation learning is important in a wide range of applications. Existing graph-level models are generally built on i.i.d. assumption for both training and testing graphs. However, in an open world, models can encounter…

Machine Learning · Computer Science 2024-07-19 Zhihao Ding , Jieming Shi , Shiqi Shen , Xuequn Shang , Jiannong Cao , Zhipeng Wang , Zhi Gong

Deep neural networks (DNNs) are often constructed under the closed-world assumption, which may fail to generalize to the out-of-distribution (OOD) data. This leads to DNNs producing overconfident wrong predictions and can result in…

Machine Learning · Statistics 2024-12-31 Yang Chen , Chih-Li Sung , Arpan Kusari , Xiaoyang Song , Wenbo Sun

Inferring causal links or subgraphs corresponding to a specific phenotype or label based solely on measured data is an important yet challenging task, which is also different from inferring causal nodes. While Graph Neural Network (GNN)…

Computational Engineering, Finance, and Science · Computer Science 2024-07-30 Qibin Zhang , Chengshang Lyu , Lingxi Chen , Qiqi Jin , Luonan Chen

We study out-of-distribution (OOD) prediction behavior of neural networks when they classify images from unseen classes or corrupted images. To probe the OOD behavior, we introduce a new measure, nearest category generalization (NCG), where…

Machine Learning · Computer Science 2023-03-09 Yao-Yuan Yang , Cyrus Rashtchian , Ruslan Salakhutdinov , Kamalika Chaudhuri

The prevailing graph neural network models have achieved significant progress in graph representation learning. However, in this paper, we uncover an ever-overlooked phenomenon: the pre-trained graph representation learning model tested…

Machine Learning · Computer Science 2023-02-14 Hang Gao , Jiangmeng Li , Wenwen Qiang , Lingyu Si , Bing Xu , Changwen Zheng , Fuchun Sun

Deep neural networks (DNNs) have become a key part of many modern software applications. After training and validating, the DNN is deployed as an irrevocable component and applied in real-world scenarios. Although most DNNs are built…

Machine Learning · Computer Science 2021-03-31 JingWei Xu , Siyuan Zhu , Zenan Li , Chang Xu

Modern foundation models exhibit remarkable out-of-distribution (OOD) generalization, solving tasks far beyond the support of their training data. However, the theoretical principles underpinning this phenomenon remain elusive. This paper…

Machine Learning · Statistics 2025-05-29 Jiawei Ge , Amanda Wang , Shange Tang , Chi Jin

This paper introduces a new framework for recovering causal graphs from observational data, leveraging the observation that the distribution of an effect, conditioned on its causes, remains invariant to changes in the prior distribution of…

Machine Learning · Computer Science 2026-02-04 Nang Hung Nguyen , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang , Masashi Sugiyama

Recent advancements have explored text-to-image diffusion models for synthesizing out-of-distribution (OOD) samples, substantially enhancing the performance of OOD detection. However, existing approaches typically rely on perturbing…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Xin Gao , Jiyao Liu , Guanghao Li , Yueming Lyu , Jianxiong Gao , Weichen Yu , Ningsheng Xu , Liang Wang , Caifeng Shan , Ziwei Liu , Chenyang Si

We characterized the generalization capabilities of DNN-based encoding models when predicting neuronal responses from the visual cortex. We collected \textit{MacaqueITBench}, a large-scale dataset of neural population responses from the…

Signal Processing · Electrical Eng. & Systems 2024-06-26 Spandan Madan , Will Xiao , Mingran Cao , Hanspeter Pfister , Margaret Livingstone , Gabriel Kreiman

Out-of-distribution (OOD) generalisation is considered a hallmark of human and animal intelligence. To achieve OOD through composition, a system must discover the environment-invariant properties of experienced input-output mappings and…

Machine Learning · Computer Science 2025-05-19 George Dimitriadis , Spyridon Samothrakis

Without loss of generality, existing machine learning techniques may learn spurious correlation dependent on the domain, which exacerbates the generalization of models in out-of-distribution (OOD) scenarios. To address this issue, recent…

Machine Learning · Computer Science 2024-06-18 Bin Qin , Jiangmeng Li , Yi Li , Xuesong Wu , Yupeng Wang , Wenwen Qiang , Jianwen Cao

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

In recent years, there has been a growing interest in using machine learning techniques for the estimation of treatment effects. Most of the best-performing methods rely on representation learning strategies that encourage shared behavior…

Machine Learning · Computer Science 2024-04-19 Roger Pros , Jordi Vitrià

Out-of-distribution (OOD) generalization is indispensable for learning models in the wild, where testing distribution typically unknown and different from the training. Recent methods derived from causality have shown great potential in…

Machine Learning · Computer Science 2024-05-13 Mengyue Yang , Zhen Fang , Yonggang Zhang , Yali Du , Furui Liu , Jean-Francois Ton , Jianhong Wang , Jun Wang