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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

Artificial neural networks (ANNs) are powerful machine learning methods used in many modern applications such as facial recognition, machine translation, and cancer diagnostics. A common issue with ANNs is that they usually have millions or…

Machine Learning · Statistics 2023-05-08 Lars Skaaret-Lund , Geir Storvik , Aliaksandr Hubin

We present a Bayesian methodology for infinite as well as finite dimensional parameter identification for partial differential equation models. The Bayesian framework provides a rigorous mathematical framework for incorporating prior…

Quantitative Methods · Quantitative Biology 2016-05-17 Eduard Campillo-Funollet , Chandrasekhar Venkataraman , Anotida Madzvamuse

We present a methodology for quantifying seismic velocity and pore pressure uncertainty that incorporates information regarding the geological history of a basin, rock physics, well log, drilling and seismic data. In particular, our…

Geophysics · Physics 2019-11-21 Anshuman Pradhan , Huy Q. Le , Nader C. Dutta , Biondo Biondi , Tapan Mukerji

We apply the Bayesian model selection method (based on the Bayes factor) to optimize $\sqrt{s_\mathrm{NN}}$-dependence in the phenomenological parameters of the (3+1)-dimensional hybrid framework for describing relativistic heavy-ion…

Nuclear Theory · Physics 2026-03-02 Syed Afrid Jahan , Hendrik Roch , Chun Shen

Dynamical systems modeling, particularly via systems of ordinary differential equations, has been used to effectively capture the temporal behavior of different biochemical components in signal transduction networks. Despite the recent…

Quantitative Methods · Quantitative Biology 2023-01-06 Nathaniel J. Linden , Boris Kramer , Padmini Rangamani

Online joint estimation of unknown parameters and states in a dynamical system with uncertainty quantification is crucial in many applications. For example, digital twins dynamically update their knowledge of model parameters and states to…

Methodology · Statistics 2026-01-01 Liliang Wang , Alex Gorodetsky

Dose-response prediction in cancer is an active application field in machine learning. Using large libraries of \textit{in-vitro} drug sensitivity screens, the goal is to develop accurate predictive models that can be used to guide…

Quantitative Methods · Quantitative Biology 2024-07-02 Leiv Rønneberg , Vidhi Lalchand , Paul D. W. Kirk

We present a computational framework for efficient learning, sampling, and distribution of general Bayesian posterior distributions. The framework leverages a machine learning approach for the construction of normalizing flows for the…

Nuclear Theory · Physics 2023-10-10 Yukari Yamauchi , Landon Buskirk , Pablo Giuliani , Kyle Godbey

Data-driven correction of turbulence models offers a promising route for improving Reynolds-averaged Navier-Stokes (RANS) predictions, but quantifying uncertainty in such corrections and ensuring generalization across flows remain key…

Fluid Dynamics · Physics 2026-04-28 Tyler Buchanan , Ali Eidi , Richard P. Dwight

In this paper we present BayesLDM, a system for Bayesian longitudinal data modeling consisting of a high-level modeling language with specific features for modeling complex multivariate time series data coupled with a compiler that can…

Recently, combinations of generative and Bayesian machine learning have been introduced in particle physics for both fast detector simulation and inference tasks. These neural networks aim to quantify the uncertainty on the generated…

Machine Learning · Computer Science 2024-11-21 Sebastian Bieringer , Sascha Diefenbacher , Gregor Kasieczka , Mathias Trabs

Bayesian neural network (BNN) approach is employed to improve the nuclear mass predictions of various models. It is found that the noise error in the likelihood function plays an important role in the predictive performance of the BNN…

Nuclear Theory · Physics 2018-01-30 Z. M. Niu , H. Z. Liang

Obtaining heteroscedastic predictive uncertainties from a Bayesian Neural Network (BNN) is vital to many applications. Often, heteroscedastic aleatoric uncertainties are learned as outputs of the BNN in addition to the predictive means,…

Machine Learning · Computer Science 2026-05-01 David J. Schodt , Ryan Brown , Michael Merritt , Samuel Park , Delsin Menolascino , Mark A. Peot

Integrating measurements and historical data can enhance control systems through learning-based techniques, but ensuring performance and safety is challenging. Robust model predictive control strategies, like stochastic model predictive…

Systems and Control · Electrical Eng. & Systems 2023-03-28 J. Pohlodek , H. Alsmeier , B. Morabito , C. Schlauch , A. Savchenko , R. Findeisen

In radiotherapy, a trade-off exists between computational workload/speed and dose calculation accuracy. Calculation methods like pencil-beam convolution can be much faster than Monte-Carlo methods, but less accurate. The dose difference,…

Medical Physics · Physics 2020-05-18 Yixun Xing , Ph. D. , You Zhang , Ph. D. , Dan Nguyen , Ph. D. , Mu-Han Lin , Ph. D. , Weiguo Lu , Ph. D. , Steve Jiang , Ph. D

In statistical applications, it is common to encounter parameters supported on a varying or unknown dimensional space. Examples include the fused lasso regression, the matrix recovery under an unknown low rank, etc. Despite the ease of…

Methodology · Statistics 2022-10-04 Maoran Xu , Hua Zhou , Yujie Hu , Leo L. Duan

Accurate trend forecasting in healthcare time series is essential for planning and resource allocation. This paper proposes a Bayesian framework for predicting oncology demand trends, modeling weekly appointments as a Poisson process with a…

In this paper we consider two-stage adaptive dose-response study designs, where the study design is changed at an interim analysis based on the information collected so far. In a simulation study, two approaches will be compared for these…

Methodology · Statistics 2016-02-08 Emma McCallum , Björn Bornkamp

Transformer has become ubiquitous due to its dominant performance in various NLP and image processing tasks. However, it lacks understanding of how to generate mathematically grounded uncertainty estimates for transformer architectures.…

Computation and Language · Computer Science 2022-06-03 Karthik Abinav Sankararaman , Sinong Wang , Han Fang