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The usual figure of merit characterizing the performance of neural networks applied to problems in the quantum domain is their accuracy, being the probability of a correct answer on a previously unseen input. Here we append this parameter…

Quantum Physics · Physics 2022-12-29 Jan Wasilewski , Tomasz Paterek , Karol Horodecki

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

Assessing uncertainty is an important step towards ensuring the safety and reliability of machine learning systems. Existing uncertainty estimation techniques may fail when their modeling assumptions are not met, e.g. when the data…

Machine Learning · Computer Science 2017-01-24 Volodymyr Kuleshov , Stefano Ermon

Our goal is to build robust optimization problems for making decisions based on complex data from the past. In robust optimization (RO) generally, the goal is to create a policy for decision-making that is robust to our uncertainty about…

Optimization and Control · Mathematics 2014-07-07 Theja Tulabandhula , Cynthia Rudin

Classifiers are often tested on relatively small data sets, which should lead to uncertain performance metrics. Nevertheless, these metrics are usually taken at face value. We present an approach to quantify the uncertainty of…

Machine Learning · Statistics 2021-03-05 Niklas Tötsch , Daniel Hoffmann

Accurate uncertainty estimates are essential for deploying deep object detectors in safety-critical systems. The development and evaluation of probabilistic object detectors have been hindered by shortcomings in existing performance…

Computer Vision and Pattern Recognition · Computer Science 2022-12-09 Georg Hess , Christoffer Petersson , Lennart Svensson

Graph convolution networks (GCN) have emerged as the leading method to classify node classes in networks, and have reached the highest accuracy in multiple node classification tasks. In the absence of available tagged samples, active…

Machine Learning · Computer Science 2019-06-21 Roy Abel , Yoram Louzoun

We consider a problem of multiclass classification, where the training sample $S_n = \{(X_i, Y_i)\}_{i=1}^n$ is generated from the model $\mathbb P(Y = m | X = x) = \eta_m(x)$, $1 \leq m \leq M$, and $\eta_1(x), \dots, \eta_M(x)$ are…

Machine Learning · Statistics 2019-11-05 Nikita Puchkin , Vladimir Spokoiny

We address the problem of uncertainty quantification and propose measures of total, aleatoric, and epistemic uncertainty based on a known decomposition of (strictly) proper scoring rules, a specific type of loss function, into a divergence…

Machine Learning · Computer Science 2025-05-29 Paul Hofman , Yusuf Sale , Eyke Hüllermeier

In robust optimization one seeks to make a decision under uncertainty, where the goal is to find the solution with the best worst-case performance. The set of possible realizations of the uncertain data is described by a so-called…

Optimization and Control · Mathematics 2022-01-25 Immanuel Bomze , Markus Gabl

Deep neural networks (DNNs) have achieved tremendous success in computer vision, natural language processing, and scientific and engineering domains. However, DNNs can make unexpected, incorrect, yet overconfident predictions, leading to…

Machine Learning · Computer Science 2025-12-16 Wenchong He , Zhe Jiang , Tingsong Xiao , Zelin Xu , Yukun Li

We present several quantum algorithms for performing nearest-neighbor learning. At the core of our algorithms are fast and coherent quantum methods for computing distance metrics such as the inner product and Euclidean distance. We prove…

Quantum Physics · Physics 2014-12-12 Nathan Wiebe , Ashish Kapoor , Krysta Svore

Location data is inherently uncertain for many reasons including 1) imprecise location measurements, 2) obsolete observations that are often interpolated, and 3) deliberate obfuscation to preserve location privacy. What makes handling…

Databases · Computer Science 2021-12-14 Andreas Züfle

Despite the huge success of deep neural networks (NNs), finding good mechanisms for quantifying their prediction uncertainty is still an open problem. Bayesian neural networks are one of the most popular approaches to uncertainty…

Machine Learning · Statistics 2020-01-01 Agustinus Kristiadi , Sina Däubener , Asja Fischer

In the realizable online setting, a learner is tasked with making predictions for a stream of instances, where the correct answer is revealed after each prediction. A learning rule is online consistent if its mistake rate eventually…

Machine Learning · Computer Science 2024-11-01 Sanjoy Dasgupta , Geelon So

Deep neural networks have seen enormous success in various real-world applications. Beyond their predictions as point estimates, increasing attention has been focused on quantifying the uncertainty of their predictions. In this review, we…

Machine Learning · Computer Science 2023-02-06 Chengyu Dong

Uncertainty arises naturally inmany application domains due to, e.g., data entry errors and ambiguity in data cleaning. Prior work in incomplete and probabilistic databases has investigated the semantics and efficient evaluation of ranking…

Databases · Computer Science 2023-05-04 Su Feng , Boris Glavic , Oliver Kennedy

The proliferation of Deep Neural Networks has resulted in machine learning systems becoming increasingly more present in various real-world applications. Consequently, there is a growing demand for highly reliable models in many domains,…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Pedro Conde , Rui L. Lopes , Cristiano Premebida

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Machine Learning · Computer Science 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

Image-based environment perception is an important component especially for driver assistance systems or autonomous driving. In this scope, modern neuronal networks are used to identify multiple objects as well as the according position and…

Computer Vision and Pattern Recognition · Computer Science 2023-02-07 Fabian Küppers
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