Related papers: Perturb and Correct: Post-Hoc Ensembles using Affi…
Some of the most effective influential spreader detection algorithms are unstable to small perturbations of the network structure. Inspired by bagging in Machine Learning, we propose the first Perturb and Combine (P&C) procedure for…
Generating calibrated and sharp neural network predictive distributions for regression problems is essential for optimal decision-making in many real-world applications. To address the miscalibration issue of neural networks, various…
Despite extensive research on neural network calibration, existing methods typically apply global transformations that treat all predictions uniformly, overlooking the heterogeneous reliability of individual predictions. Furthermore, the…
Model-free adaptive optimization methods are capable of optimizing unknown, time-varying processes even when other optimization methods are not. However, their practical application is often limited by perturbations that are used to gather…
We address the problem of uncertainty calibration. While standard deep neural networks typically yield uncalibrated predictions, calibrated confidence scores that are representative of the true likelihood of a prediction can be achieved…
Out-of-distribution (OOD) detection is the task of identifying inputs that deviate from the training data distribution. This capability is essential for safely deploying deep computer vision models in open-world environments. In this work,…
We introduce the notion of heterogeneous calibration that applies a post-hoc model-agnostic transformation to model outputs for improving AUC performance on binary classification tasks. We consider overconfident models, whose performance is…
Post-hoc importance attribution methods are a popular tool for "explaining" Deep Neural Networks (DNNs) and are inherently based on the assumption that the explanations can be applied independently of how the models were trained.…
State-of-the-art post-hoc out-of-distribution detection methods rely on intermediate layer activation editing. However, they exhibit inconsistent performance across datasets and models. We show that this instability is driven by differences…
Deep Neural Networks (DNNs), despite their tremendous success in recent years, could still cast doubts on their predictions due to the intrinsic uncertainty associated with their learning process. Ensemble techniques and post-hoc…
Deep neural networks often produce miscalibrated probability estimates, leading to overconfident predictions. A common approach for calibration is fitting a post-hoc calibration map on unseen validation data that transforms predicted…
Predictive variability due to data ambiguities has typically been addressed via construction of dedicated models with built-in probabilistic capabilities that are trained to predict uncertainty estimates as variables of interest. These…
Ensemble method is considered the gold standard for uncertainty quantification (UQ) in machine learning interatomic potentials (MLIPs). However, their high computational cost can limit its practicality. Alternative techniques, such as Monte…
Bayesian decision theory provides an elegant framework for acting optimally under uncertainty when tractable posterior distributions are available. Modern Bayesian models, however, typically involve intractable posteriors that are…
Trust and ethical concerns due to the widespread deployment of opaque machine learning (ML) models motivating the need for reliable model explanations. Post-hoc model-agnostic explanation methods addresses this challenge by learning a…
A reliable deep learning system should be able to accurately express its confidence with respect to its predictions, a quality known as calibration. One of the most effective ways to produce reliable confidence estimates with a pre-trained…
Deep neural network(DNN) based classifiers do extremely well in discriminating between observations, resulting in higher ROC AUC and accuracy metrics, but their outputs are often miscalibrated with respect to true event likelihoods.…
Perturb and Combine (P&C) group of methods generate multiple versions of the predictor by perturbing the training set or construction and then combining them into a single predictor (Breiman, 1996b). The motive is to improve the accuracy in…
In many applications, it is desirable that a classifier not only makes accurate predictions, but also outputs calibrated posterior probabilities. However, many existing classifiers, especially deep neural network classifiers, tend to be…
Deep neural networks have demonstrated remarkable performance across numerous learning tasks but often suffer from miscalibration, resulting in unreliable probability outputs. This has inspired many recent works on mitigating…