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Calibration error is commonly adopted for evaluating the quality of uncertainty estimators in deep neural networks. In this paper, we argue that such a metric is highly beneficial for training predictive models, even when we do not…

Machine Learning · Statistics 2019-11-01 Jayaraman J. Thiagarajan , Bindya Venkatesh , Deepta Rajan

Computer models, aiming at simulating a complex real system, are often calibrated in the light of data to improve performance. Standard calibration methods assume that the optimal values of calibration parameters are invariant to the model…

Methodology · Statistics 2017-09-01 Georgios Karagiannis , Bledar A. Konomi , Guang Lin

Gradient-based optimization methods are commonly used to identify local optima in high-dimensional spaces. When derivatives cannot be evaluated directly, stochastic estimators can provide approximate gradients. However, these estimators'…

Machine Learning · Computer Science 2026-02-03 Philipp Andelfinger , Wentong Cai

Language models are increasingly used in settings where outputs must satisfy user-specified randomness constraints, yet their generation probabilities are often poorly calibrated to those targets. We study whether this capability can be…

Computation and Language · Computer Science 2026-05-13 Davide Baldelli , Sruthi Kuriakose , Maryam Hashemzadeh , Amal Zouaq , Sarath Chandar

In this paper, a local-global model reduction method is presented to solve stochastic optimal control problems governed by partial differential equations (PDEs). If the optimal control problems involve uncertainty, we need to use a few…

Numerical Analysis · Mathematics 2018-07-04 Lingling Ma , Qiuqi Li , Lijian Jiang

This paper addresses the study of derivative-free smooth optimization problems, where the gradient information on the objective function is unavailable. Two novel general derivative-free methods are proposed and developed for minimizing…

Optimization and Control · Mathematics 2023-11-29 Pham Duy Khanh , Boris S. Mordukhovich , Dat Ba Tran

Classifier calibration does not always go hand in hand with the classifier's ability to separate the classes. There are applications where good classifier calibration, i.e. the ability to produce accurate probability estimates, is more…

Machine Learning · Computer Science 2020-05-26 Tuomo Alasalmi , Jaakko Suutala , Heli Koskimäki , Juha Röning

Uncertainty quantification is essential for the reliable deployment of machine learning models to high-stakes application domains. Uncertainty quantification is all the more challenging when training distribution and test distribution are…

Machine Learning · Computer Science 2022-06-07 Yaodong Yu , Stephen Bates , Yi Ma , Michael I. Jordan

Among the different possible strategies for evaluating the reliability of individual predictions of classifiers, robustness quantification stands out as a method that evaluates how much uncertainty a classifier could cope with before…

Machine Learning · Computer Science 2026-03-25 Rodrigo F. L. Lassance , Jasper De Bock

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…

Computer Vision and Pattern Recognition · Computer Science 2025-08-28 Yilin Zhang , Cai Xu , You Wu , Ziyu Guan , Wei Zhao

Discovery of an accurate causal Bayesian network structure from observational data can be useful in many areas of science. Often the discoveries are made under uncertainty, which can be expressed as probabilities. To guide the use of such…

Artificial Intelligence · Computer Science 2017-12-27 Fattaneh Jabbari , Mahdi Pakdaman Naeini , Gregory F. Cooper

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…

Machine Learning · Computer Science 2025-07-10 Yunrui Zhang , Gustavo Batista , Salil S. Kanhere

The multiscale complexity of modern problems in computational science and engineering can prohibit the use of traditional numerical methods in multi-dimensional simulations. Therefore, novel algorithms are required in these situations to…

Numerical Analysis · Mathematics 2021-06-15 Cale Harnish , Luke Dalessandro , Karel Matous , Daniel Livescu

Gaussian processes are notorious for scaling cubically with the size of the training set, preventing application to very large regression problems. Computation-aware Gaussian processes (CAGPs) tackle this scaling issue by exploiting…

Machine Learning · Statistics 2025-03-24 Disha Hegde , Mohamed Adil , Jon Cockayne

Probabilistic modeling enables combining domain knowledge with learning from data, thereby supporting learning from fewer training instances than purely data-driven methods. However, learning probabilistic models is difficult and has not…

Machine Learning · Computer Science 2017-05-17 Avi Pfeffer

In this paper we provide novel closed-form expressions enabling differentiation of any scalar function of the Kalman filter's outputs with respect to all its tuning parameters and to the measurements. The approach differs from the previous…

Optimization and Control · Mathematics 2023-04-03 Colin Parellier , Axel Barrau , Silvere Bonnabel

This paper develops meshless methods for probabilistically describing discretisation error in the numerical solution of partial differential equations. This construction enables the solution of Bayesian inverse problems while accounting for…

Methodology · Statistics 2017-12-20 Jon Cockayne , Chris Oates , Tim Sullivan , Mark Girolami

Reliable uncertainty estimation is crucial for perception systems in safe autonomous driving. Recently, many methods have been proposed to model uncertainties in deep learning based object detectors. However, the estimated probabilities are…

Robotics · Computer Science 2019-09-30 Di Feng , Lars Rosenbaum , Claudius Glaeser , Fabian Timm , Klaus Dietmayer

Estimating parameters of dynamic models from experimental data is a challenging, and often computationally-demanding task. It requires a large number of model simulations and objective function gradient computations, if gradient-based…

Quantitative Methods · Quantitative Biology 2024-05-28 Polina Lakrisenko , Dilan Pathirana , Daniel Weindl , Jan Hasenauer

This paper studies a class of distributed optimization problems with coupled equality constraints in networked systems. Many existing distributed algorithms rely on solving local subproblems via the $\operatorname{argmin}$ operator in each…

Optimization and Control · Mathematics 2025-11-26 Chenyang Qiu , Zongli Lin