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Though deep neural networks have achieved impressive success on various vision tasks, obvious performance degradation still exists when models are tested in out-of-distribution scenarios. In addressing this limitation, we ponder that the…

Derivative training is an established method that can significantly increase the accuracy of neural networks in certain low-dimensional tasks. In this paper, we extend this improvement to an illustrative image analysis problem:…

Domain generalization is challenging due to the domain shift and the uncertainty caused by the inaccessibility of target domain data. In this paper, we address both challenges with a probabilistic framework based on variational Bayesian…

Prediction models based on deep neural networks are increasingly gaining attention for fast and accurate virtual screening systems. For decision makings in virtual screening, researchers find it useful to interpret an output of…

Out-of-domain (OOD) generalization is a significant challenge for machine learning models. Many techniques have been proposed to overcome this challenge, often focused on learning models with certain invariance properties. In this work, we…

Out-of-distribution (OOD) generalisation is challenging because it involves not only learning from empirical data, but also deciding among various notions of generalisation, e.g., optimising the average-case risk, worst-case risk, or…

Empirical risk minimization often performs poorly when the distribution of the target domain differs from those of source domains. To address such potential distribution shifts, we develop an unsupervised domain adaptation approach that…

Due to their high degree of expressiveness, neural networks have recently been used as surrogate models for mapping inputs of an engineering system to outputs of interest. Once trained, neural networks are computationally inexpensive to…

Deep learning provides a powerful tool for machine perception when the observations resemble the training data. However, real-world robotic systems must react intelligently to their observations even in unexpected circumstances. This…

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…

Despite remarkable achievements in deep learning across various domains, its inherent vulnerability to adversarial examples still remains a critical concern for practical deployment. Adversarial training has emerged as one of the most…

Neural networks have proven successful at learning from complex data distributions by acting as universal function approximators. However, they are often overconfident in their predictions, which leads to inaccurate and miscalibrated…

Neural networks (NNs) are known to exhibit simplicity bias where they tend to prefer learning 'simple' features over more 'complex' ones, even when the latter may be more informative. Simplicity bias can lead to the model making biased…

While diffusion models have emerged as a powerful class of generative models, their learning dynamics remain poorly understood. We address this issue first by empirically showing that standard diffusion models trained on natural images…

Making predictions in an unseen environment given data from multiple training environments is a challenging task. We approach this problem from an invariance perspective, focusing on binary classification to shed light on general nonlinear…

Neural networks trained with (stochastic) gradient descent have an inductive bias towards learning simpler solutions. This makes them highly prone to learning spurious correlations in the training data, that may not hold at test time. In…

Deep neural networks often produce overconfident predictions, undermining their reliability in safety-critical applications. This miscalibration is further exacerbated under distribution shift, where test data deviates from the training…

Despite the success of machine learning applications in science, industry, and society in general, many approaches are known to be non-robust, often relying on spurious correlations to make predictions. Spuriousness occurs when some…

Deep Neural Networks are well known for efficiently fitting training data, yet experiencing poor generalization capabilities whenever some kind of bias dominates over the actual task labels, resulting in models learning "shortcuts". In…

Verifiable training has shown success in creating neural networks that are provably robust to a given amount of noise. However, despite only enforcing a single robustness criterion, its performance scales poorly with dataset complexity. On…