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In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning chemical reactions. Despite the rapid increase in the use of…

Chemical Physics · Physics 2019-05-17 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

We present a control method for improved repetitive path following for a ground vehicle that is geared towards long-term operation where the operating conditions can change over time and are initially unknown. We use weighted Bayesian…

Robotics · Computer Science 2019-04-10 Christopher D. McKinnon , Angela P. Schoellig

Predicting the performance and energy consumption of computing hardware is critical for many modern applications. This will inform procurement decisions, deployment decisions, and autonomic scaling. Existing approaches to understanding the…

Machine Learning · Computer Science 2023-02-28 Mehmet Cengiz , Matthew Forshaw , Amir Atapour-Abarghouei , Andrew Stephen McGough

Deep neural networks(NNs) have achieved impressive performance, often exceed human performance on many computer vision tasks. However, one of the most challenging issues that still remains is that NNs are overconfident in their predictions,…

Machine Learning · Computer Science 2019-12-30 Chanwoo Park , Jae Myung Kim , Seok Hyeon Ha , Jungwoo Lee

Accurate probabilistic predictions can be characterized by two properties -- calibration and sharpness. However, standard maximum likelihood training yields models that are poorly calibrated and thus inaccurate -- a 90% confidence interval…

Machine Learning · Computer Science 2025-05-14 Volodymyr Kuleshov , Shachi Deshpande

Monitoring machine learning models once they are deployed is challenging. It is even more challenging to decide when to retrain models in real-case scenarios when labeled data is beyond reach, and monitoring performance metrics becomes…

Machine Learning · Computer Science 2022-11-23 Carlos Mougan , Dan Saattrup Nielsen

Wildfires are among the most severe natural hazards, posing a significant threat to both humans and natural ecosystems. The growing risk of wildfires increases the demand for forecasting models that are not only accurate but also reliable.…

Machine Learning · Computer Science 2025-09-30 Spyros Kondylatos , Gustau Camps-Valls , Ioannis Papoutsis

In system analysis and design optimization, multiple computational models are typically available to represent a given physical system. These models can be broadly classified as high-fidelity models, which provide highly accurate…

Machine Learning · Computer Science 2024-11-01 Ruda Zhang , Negin Alemazkoor

In recent years, defect prediction, one of the major software engineering problems, has been in the focus of researchers since it has a pivotal role in estimating software errors and faulty modules. Researchers with the goal of improving…

Software Engineering · Computer Science 2020-04-07 Ahmad Hasanpour , Pourya Farzi , Ali Tehrani , Reza Akbari

Software systems often have numerous configuration options that can be adjusted to meet different performance requirements. However, understanding the combined impact of these options on performance is often challenging, especially with…

Software Engineering · Computer Science 2025-01-31 Jingzhi Gong

Currently, college-going students are taking longer to graduate than their parental generations. Further, in the United States, the six-year graduation rate has been 59% for decades. Improving the educational quality by training…

Artificial Intelligence · Computer Science 2019-02-28 Qian Hu , Huzefa Rangwala

Fine-tuned large language models (LLMs) often exhibit overconfidence, particularly when trained on small datasets, resulting in poor calibration and inaccurate uncertainty estimates. Evidential Deep Learning (EDL), an uncertainty-aware…

Machine Learning · Computer Science 2025-02-12 Yawei Li , David Rügamer , Bernd Bischl , Mina Rezaei

Cloud performance diagnosis and prediction is a challenging problem due to the stochastic nature of the cloud systems. Cloud performance is affected by a large set of factors including (but not limited to) virtual machine types, regions,…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-12-19 Karan Mitra , Saguna Saguna , Christer Åhlund , Rajiv Ranjan

With model trustworthiness being crucial for sensitive real-world applications, practitioners are putting more and more focus on improving the uncertainty calibration of deep neural networks. Calibration errors are designed to quantify the…

Machine Learning · Computer Science 2024-03-14 Sebastian G. Gruber , Florian Buettner

Precise estimation of predictive uncertainty in deep neural networks is a critical requirement for reliable decision-making in machine learning and statistical modeling, particularly in the context of medical AI. Conformal Prediction (CP)…

Machine Learning · Computer Science 2024-01-05 Hamed Karimi , Reza Samavi

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

This study aims to comprehensively investigate the deep ensemble approach, an approximate Bayesian inference, in the multi-output regression task for predicting the aerodynamic performance of a missile configuration. To this end, the effect…

Machine Learning · Computer Science 2023-11-27 Sunwoong Yang , Kwanjung Yee

Modern deep models for summarization attains impressive benchmark performance, but they are prone to generating miscalibrated predictive uncertainty. This means that they assign high confidence to low-quality predictions, leading to…

Computation and Language · Computer Science 2023-04-19 Polina Zablotskaia , Du Phan , Joshua Maynez , Shashi Narayan , Jie Ren , Jeremiah Liu

Estimating and disentangling epistemic uncertainty, uncertainty that is reducible with more training data, and aleatoric uncertainty, uncertainty that is inherent to the task at hand, is critically important when applying machine learning…

Machine Learning · Computer Science 2024-11-08 Matthew A. Chan , Maria J. Molina , Christopher A. Metzler

Uncertainty-quantification methods are applied to estimate the confidence of deep-neural-networks classifiers over their predictions. However, most widely used methods are known to be overconfident. We address this problem by developing an…

Machine Learning · Computer Science 2023-05-19 Luigi Sbailò , Luca M. Ghiringhelli
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