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Effective potentials are an essential ingredient of classical molecular dynamics (MD) simulations. Little is understood of the consequences of representing the complex energy landscape of an atomic configuration by an effective potential or…

Materials Science · Physics 2019-03-13 Sarah Longbottom , Peter Brommer

Robust adversarial reinforcement learning has emerged as an effective paradigm for training agents to handle uncertain disturbance in real environments, with critical applications in sequential decision-making domains such as autonomous…

Machine Learning · Computer Science 2026-01-26 Jiaxi Wu , Tiantian Zhang , Yuxing Wang , Yongzhe Chang , Xueqian Wang

Assessing the predictive uncertainty of deep neural networks is crucial for safety-related applications of deep learning. Although Bayesian deep learning offers a principled framework for estimating model uncertainty, the common approaches…

Machine Learning · Computer Science 2024-03-06 Yookoon Park , David M. Blei

Jointly extracting entity pairs and their relations is challenging when working on distantly-supervised data with ambiguous or noisy labels. To mitigate such impact, we propose uncertainty-aware bootstrap learning, which is motivated by the…

Computation and Language · Computer Science 2023-06-12 Yufei Li , Xiao Yu , Yanchi Liu , Haifeng Chen , Cong Liu

This paper introduces the "Uncertainty-aware Mixture of Experts" (uMoE), a novel solution aimed at addressing aleatoric uncertainty within Neural Network (NN) based predictive models. While existing methodologies primarily concentrate on…

Machine Learning · Statistics 2024-04-26 Lucas Luttner

The inputs of deep neural network (DNN) from real-world data usually come with uncertainties. Yet, it is challenging to propagate the uncertainty in the input features to the DNN predictions at a low computational cost. This work employs a…

Machine Learning · Statistics 2020-01-14 Weiqi Ji , Zhuyin Ren , Chung K. Law

Detection Transformer (DETR) and its variants show strong performance on object detection, a key task for autonomous systems. However, a critical limitation of these models is that their confidence scores only reflect semantic uncertainty,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Yutong Yang , Katarina Popović , Julian Wiederer , Markus Braun , Vasileios Belagiannis , Bin Yang

We show that ensembling effectively quantifies model uncertainty in Neural Radiance Fields (NeRFs) if a density-aware epistemic uncertainty term is considered. The naive ensembles investigated in prior work simply average rendered RGB…

Computer Vision and Pattern Recognition · Computer Science 2022-09-20 Niko Sünderhauf , Jad Abou-Chakra , Dimity Miller

We present a simple comparative framework for testing and developing uncertainty modeling in uncertain marching cubes implementations. The selection of a model to represent the probability distribution of uncertain values directly…

Human-Computer Interaction · Computer Science 2024-09-16 Robert Sisneros , Tushar M. Athawale , David Pugmire , Kenneth Moreland

One of the main challenges of deep learning tools is their inability to capture model uncertainty. While Bayesian deep learning can be used to tackle the problem, Bayesian neural networks often require more time and computational power to…

Machine Learning · Computer Science 2020-10-20 Jiaming Zeng , Adam Lesnikowski , Jose M. Alvarez

Emulator embedded neural networks, which are a type of physics informed neural network, leverage multi-fidelity data sources for efficient design exploration of aerospace engineering systems. Multiple realizations of the neural network…

Machine Learning · Computer Science 2023-09-14 Atticus Beachy , Harok Bae , Jose Camberos , Ramana Grandhi

Deep ensemble is a simple yet powerful way to improve the performance of deep neural networks. Under this motivation, recent works on mode connectivity have shown that parameters of ensembles are connected by low-loss subspaces, and one can…

Machine Learning · Computer Science 2023-06-21 EungGu Yun , Hyungi Lee , Giung Nam , Juho Lee

Ensemble learning has proven effective in improving predictive performance and estimating uncertainty in neural networks. However, conventional ensemble methods often suffer from redundant parameter usage and computational inefficiencies…

Machine Learning · Computer Science 2024-12-23 Arnav Kharbanda , Advait Chandorkar

In this paper, we propose a novel ensembling technique for deep neural networks, which is able to drastically reduce the required memory compared to alternative approaches. In particular, we propose to extract multiple sub-networks from a…

Machine Learning · Computer Science 2022-10-07 Jary Pomponi , Simone Scardapane , Aurelio Uncini

Deep neural networks are behind many of the recent successes in machine learning applications. However, these models can produce overconfident decisions while encountering out-of-distribution (OOD) examples or making a wrong prediction.…

Machine Learning · Computer Science 2021-06-24 Navid Kardan , Ankit Sharma , Kenneth O. Stanley

Deep Learning is becoming an increasingly important way to produce accurate hydrological predictions across a wide range of spatial and temporal scales. Uncertainty estimations are critical for actionable hydrological forecasting, and while…

Model ensembles have long been a cornerstone for improving generalization and robustness in deep learning. However, their effectiveness often comes at the cost of substantial computational overhead. To address this issue, state-of-the-art…

Deep learning has become the state of the art approach in many machine learning problems such as classification. It has recently been shown that deep learning is highly vulnerable to adversarial perturbations. Taking the camera systems of…

Machine Learning · Statistics 2018-02-09 Thilo Strauss , Markus Hanselmann , Andrej Junginger , Holger Ulmer

Automated Machine Learning with ensembling (or AutoML with ensembling) seeks to automatically build ensembles of Deep Neural Networks (DNNs) to achieve qualitative predictions. Ensemble of DNNs are well known to avoid over-fitting but they…

Machine Learning · Computer Science 2022-08-31 Pierrick Pochelu , Serge G. Petiton , Bruno Conche

Artificial neural networks have been successfully applied to a variety of machine learning tasks, including image recognition, semantic segmentation, and machine translation. However, few studies fully investigated ensembles of artificial…

Machine Learning · Statistics 2017-04-07 Cheng Ju , Aurélien Bibaut , Mark J. van der Laan