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Graph neural networks have shown remarkable success in exploiting the spatial and temporal patterns on dynamic graphs. However, existing GNNs exhibit poor generalization ability under distribution shifts, which is inevitable in dynamic…
A recent popular approach to out-of-distribution (OOD) detection is based on a self-supervised learning technique referred to as contrastive learning. There are two main variants of contrastive learning, namely instance and class…
Most classification and segmentation datasets assume a closed-world scenario in which predictions are expressed as distribution over a predetermined set of visual classes. However, such assumption implies unavoidable and often unnoticeable…
In real-world applications, it is important and desirable to learn a model that performs well on out-of-distribution (OOD) data. Recently, causality has become a powerful tool to tackle the OOD generalization problem, with the idea resting…
Improving generalization and achieving highly predictive, robust machine learning models necessitates learning the underlying causal structure of the variables of interest. A prominent and effective method for this is learning invariant…
While reinforcement learning (RL) algorithms have been successfully applied across numerous sequential decision-making problems, their generalization to unforeseen testing environments remains a significant concern. In this paper, we study…
Modern deep learning techniques have illustrated their excellent capabilities in many areas, but relies on large training data. Optimization-based meta-learning train a model on a variety tasks, such that it can solve new learning tasks…
While deep learning demonstrates its strong ability to handle independent and identically distributed (IID) data, it often suffers from out-of-distribution (OoD) generalization, where the test data come from another distribution (w.r.t. the…
Deep neural networks have attained remarkable performance when applied to data that comes from the same distribution as that of the training set, but can significantly degrade otherwise. Therefore, detecting whether an example is…
Out-of-distribution (OOD) detection is a crucial part of deploying machine learning models safely. It has been extensively studied with a plethora of methods developed in the literature. This problem is tackled with an OOD score…
We propose a method for learning dynamical systems from high-dimensional empirical data that combines variational autoencoders and (spatio-)temporal attention within a framework designed to enforce certain scientifically-motivated…
Differential equations in general and neural ODEs in particular are an essential technique in continuous-time system identification. While many deterministic learning algorithms have been designed based on numerical integration via the…
In supervised machine learning, the assumption that training data is labelled correctly is not always satisfied. In this paper, we investigate an instance of labelling error for classification tasks in which the dataset is corrupted with…
The Invariant Risk Minimization (IRM) framework aims to learn invariant features from a set of environments for solving the out-of-distribution (OOD) generalization problem. The underlying assumption is that the causal components of the…
Machine learning models traditionally assume that training and test data are independently and identically distributed. However, in real-world applications, the test distribution often differs from training. This problem, known as…
Modern computer systems are highly configurable, with hundreds of configuration options that interact, resulting in an enormous configuration space. As a result, optimizing performance goals (e.g., latency) in such systems is challenging…
Existing methods for graph out-of-distribution (OOD) generalization primarily rely on empirical studies on synthetic datasets. Such approaches tend to overemphasize the causal relationships between invariant sub-graphs and labels, thereby…
Fitting statistical models is computationally challenging when the sample size or the dimension of the dataset is huge. An attractive approach for down-scaling the problem size is to first partition the dataset into subsets and then fit…
Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to…
Out-of-distribution (OOD) detection aims to discern outliers from the intended data distribution, which is crucial to maintaining high reliability and a good user experience. Most recent studies in OOD detection utilize the information from…