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We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using…

Materials Science · Physics 2013-02-25 Albert P. Bartok , Michael J. Gillan , Frederick R. Manby , Gabor Csanyi

The transfer of reinforcement learning (RL) techniques into real-world applications is challenged by safety requirements in the presence of physical limitations. Most RL methods, in particular the most popular algorithms, do not support…

Systems and Control · Computer Science 2021-05-18 Kim P. Wabersich , Melanie N. Zeilinger

Continual Learning is a learning paradigm where learning systems are trained with sequential or streaming tasks. Two notable directions among the recent advances in continual learning with neural networks are ($i$) variational Bayes based…

Machine Learning · Computer Science 2020-02-24 Abhishek Kumar , Sunabha Chatterjee , Piyush Rai

Modeling an unknown dynamical system is crucial in order to predict the future behavior of the system. A standard approach is training recurrent models on measurement data. While these models typically provide exact short-term predictions,…

Machine Learning · Computer Science 2023-03-02 Katharina Ensinger , Sebastian Ziesche , Barbara Rakitsch , Michael Tiemann , Sebastian Trimpe

Advancement in the field of machine learning is unavoidable, but something of major concern is preserving the privacy of the users whose data is being used for training these machine learning algorithms. Federated learning(FL) has emerged…

Machine Learning · Computer Science 2023-11-07 Ishmeet Kaur , Adwaita Janardhan Jadhav

In this paper we propose a new methodology for decision-making under uncertainty using recent advancements in the areas of nonlinear stochastic optimal control theory, applied mathematics, and machine learning. Grounded on the fundamental…

Robotics · Computer Science 2021-07-12 Marcus Pereira , Ziyi Wang , Ioannis Exarchos , Evangelos A. Theodorou

While federated learning (FL) eliminates the transmission of raw data over a network, it is still vulnerable to privacy breaches from the communicated model parameters. Differential privacy (DP) is often employed to address such issues.…

Networking and Internet Architecture · Computer Science 2025-12-03 Evan Chen , Frank Po-Chen Lin , Dong-Jun Han , Christopher G. Brinton

System identification of complex and nonlinear systems is a central problem for model predictive control and model-based reinforcement learning. Despite their complexity, such systems can often be approximated well by a set of linear…

Machine Learning · Statistics 2019-05-30 Philip Becker-Ehmck , Jan Peters , Patrick van der Smagt

Before autonomous systems can be deployed in safety-critical applications, we must be able to understand and verify the safety of these systems. For cases where the risk or cost of real-world testing is prohibitive, we propose a…

Robotics · Computer Science 2023-09-18 Charles Dawson , Chuchu Fan

This paper proposes a sparse Bayesian treatment of deep neural networks (DNNs) for system identification. Although DNNs show impressive approximation ability in various fields, several challenges still exist for system identification…

Systems and Control · Electrical Eng. & Systems 2022-06-02 Hongpeng Zhou , Chahine Ibrahim , Wei Xing Zheng , Wei Pan

Differentiable particle filters combine the flexibility of neural networks with the probabilistic nature of sequential Monte Carlo methods. However, traditional approaches rely on the availability of labelled data, i.e., the ground truth…

Machine Learning · Computer Science 2024-05-03 Jiaxi Li , John-Joseph Brady , Xiongjie Chen , Yunpeng Li

Learning multiple tasks sequentially requires neural networks to balance retaining knowledge, yet being flexible enough to adapt to new tasks. Regularizing network parameters is a common approach, but it rarely incorporates prior knowledge…

Machine Learning · Computer Science 2025-12-22 Joanna Sliwa , Frank Schneider , Nathanael Bosch , Agustinus Kristiadi , Philipp Hennig

The use of robotics in controlled environments has flourished over the last several decades and training robots to perform tasks using control strategies developed from dynamical models of their hardware have proven very effective. However,…

Robotics · Computer Science 2019-07-16 Zach Dwiel , Madhavun Candadai , Mariano Phielipp

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

Decision-focused learning (DFL) has emerged as a powerful end-to-end alternative to conventional predict-then-optimize (PTO) pipelines by directly optimizing predictive models through downstream decision losses. Existing DFL frameworks are…

Machine Learning · Computer Science 2025-12-01 Xinyu Wang , Jinxiao Du , Yiyang Peng , Wei Ma

In industrial machine learning pipelines, data often arrive in parts. Particularly in the case of deep neural networks, it may be too expensive to train the model from scratch each time, so one would rather use a previously learned model…

Machine Learning · Statistics 2018-03-29 Max Kochurov , Timur Garipov , Dmitry Podoprikhin , Dmitry Molchanov , Arsenii Ashukha , Dmitry Vetrov

Particle filters are a frequent choice for inference tasks in nonlinear and non-Gaussian state-space models. They can either be used for state inference by approximating the filtering distribution or for parameter inference by approximating…

Machine Learning · Computer Science 2026-02-27 Domonkos Csuzdi , Olivér Törő , Tamás Bécsi

Federated learning faces huge challenges from model overfitting due to the lack of data and statistical diversity among clients. To address these challenges, this paper proposes a novel personalized federated learning method via Bayesian…

Machine Learning · Computer Science 2022-06-17 Xu Zhang , Yinchuan Li , Wenpeng Li , Kaiyang Guo , Yunfeng Shao

Latent state space models are a fundamental and widely used tool for modeling dynamical systems. However, they are difficult to learn from data and learned models often lack performance guarantees on inference tasks such as filtering and…

Machine Learning · Computer Science 2016-05-31 Wen Sun , Arun Venkatraman , Byron Boots , J. Andrew Bagnell

This paper presents a novel method which simultaneously learns the number of filters and network features repeatedly over multiple epochs. We propose a novel pruning loss to explicitly enforces the optimizer to focus on promising candidate…

Computer Vision and Pattern Recognition · Computer Science 2019-06-12 Tinghuai Wang , Lixin Fan , Huiling Wang
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