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Nowadays there is a big spotlight cast on the development of techniques of explainable machine learning. Here we introduce a new computational paradigm based on Group Equivariant Non-Expansive Operators, that can be regarded as the product…

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and…

Machine Learning · Computer Science 2025-07-03 Yaohua Zang , Phaedon-Stelios Koutsourelakis

Reinforcement learning (RL) can be used to create a decision-making agent for autonomous driving. However, previous approaches provide only black-box solutions, which do not offer information on how confident the agent is about its…

Robotics · Computer Science 2023-04-18 Carl-Johan Hoel , Krister Wolff , Leo Laine

Machine Learning Interatomic Potentials (MLIPs) achieve near ab initio accuracy at a fraction of the cost of quantum-mechanical simulations, yet they remain prone to silent failures on out-of-distribution configurations, making principled…

Computational Engineering, Finance, and Science · Computer Science 2026-05-27 Olga Zaghen , Maksim Zhdanov , Dario Coscia , David R. Wessels , Erik J. Bekkers

Uncertainty quantification (UQ) is crucial in machine learning, yet most (axiomatic) studies of uncertainty measures focus on classification, leaving a gap in regression settings with limited formal justification and evaluations. In this…

Machine Learning · Computer Science 2025-05-19 Christopher Bülte , Yusuf Sale , Timo Löhr , Paul Hofman , Gitta Kutyniok , Eyke Hüllermeier

Data-driven modeling has become a key building block in computational science and engineering. However, data that are available in science and engineering are typically scarce, often polluted with noise and affected by measurement errors…

Machine Learning · Computer Science 2022-12-06 Wayne Isaac Tan Uy , Dirk Hartmann , Benjamin Peherstorfer

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be…

Machine Learning · Computer Science 2024-05-15 Longze Li , Jiang Chang , Aleksandar Vakanski , Yachun Wang , Tiankai Yao , Min Xian

Uncertainty estimation (UE) of generative large language models (LLMs) is crucial for evaluating the reliability of generated sequences. A significant subset of UE methods utilize token probabilities to assess uncertainty, aggregating…

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for…

Machine Learning · Statistics 2023-12-14 Tomoharu Iwata , Atsutoshi Kumagai

Uncertainty Quantification (UQ) is crucial for ensuring the reliability of machine learning models deployed in real-world autonomous systems. However, existing approaches typically quantify task-level output prediction uncertainty without…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Luke Chen , Junyao Wang , Trier Mortlock , Pramod Khargonekar , Mohammad Abdullah Al Faruque

Uncertainty quantification (UQ) is essential for assessing the reliability of Earth observation (EO) products. However, the extensive use of machine learning models in EO introduces an additional layer of complexity, as those models…

Machine Learning · Computer Science 2024-12-10 Yuanyuan Wang , Qian Song , Dawood Wasif , Muhammad Shahzad , Christoph Koller , Jonathan Bamber , Xiao Xiang Zhu

In-context operator networks (ICON) are a class of operator learning methods based on the novel architectures of foundation models. Trained on a diverse set of datasets of initial and boundary conditions paired with corresponding solutions…

Machine Learning · Statistics 2025-09-09 Benjamin J. Zhang , Siting Liu , Stanley J. Osher , Markos A. Katsoulakis

We develop a novel framework for uncertainty quantification in operator learning, the Stochastic Operator Network (SON). SON combines the stochastic optimal control concepts of the Stochastic Neural Network (SNN) with the DeepONet. By…

Machine Learning · Computer Science 2026-03-17 Ryan Bausback , Jingqiao Tang , Lu Lu , Feng Bao , Toan Huynh

Interpretability and uncertainty quantification in machine learning can provide justification for decisions, promote scientific discovery and lead to a better understanding of model behavior. Symbolic regression provides inherently…

Neural and Evolutionary Computing · Computer Science 2022-11-23 G. F. Bomarito , P. E. Leser , N. C. M Strauss , K. M. Garbrecht , J. D. Hochhalter

Quality of Experience (QoE) prediction plays a crucial role in optimizing resource management and enhancing user satisfaction across both telecommunication and OTT services. While recent advances predominantly rely on deep learning models,…

Machine Learning · Computer Science 2025-05-01 Vinti Nayar , Kanica Sachdev , Brejesh Lall

The neural network (NN)-based direct uncertainty quantification (UQ) methods have achieved the state of the art performance since the first inauguration, known as the lower-upper-bound estimation (LUBE) method. However, currently-available…

Machine Learning · Statistics 2024-07-16 H M Dipu Kabir , Abbas Khosravi , Abdollah Kavousi-Fard , Saeid Nahavandi , Dipti Srinivasan

Unsupervised training of generative models is a machine learning task that has many applications in scientific computing. In this work we evaluate the efficacy of using quantum circuit-based generative models to generate synthetic data of…

Quantum Physics · Physics 2022-11-23 Andrea Delgado , Kathleen E. Hamilton

Weather forecasting is usually solved through numerical weather prediction (NWP), which can sometimes lead to unsatisfactory performance due to inappropriate setting of the initial states. In this paper, we design a data-driven method…

Machine Learning · Computer Science 2019-02-05 Bin Wang , Jie Lu , Zheng Yan , Huaishao Luo , Tianrui Li , Yu Zheng , Guangquan Zhang

The design and testing of supervised machine learning models combine two fundamental distributions: (1) the training data distribution (2) the testing data distribution. Although these two distributions are identical and identifiable when…

Machine Learning · Computer Science 2021-03-19 Peyman Tavallali , Hamed Hamze Bajgiran , Danial J. Esaid , Houman Owhadi

Recent advances in generative video models have led to significant breakthroughs in high-fidelity video synthesis, specifically in controllable video generation where the generated video is conditioned on text and action inputs, e.g., in…

Computer Vision and Pattern Recognition · Computer Science 2026-03-12 Zhiting Mei , Tenny Yin , Micah Baker , Ola Shorinwa , Anirudha Majumdar