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Data-driven design shows the promise of accelerating materials discovery but is challenging due to the prohibitive cost of searching the vast design space of chemistry, structure, and synthesis methods. Bayesian Optimization (BO) employs…

Machine Learning · Statistics 2023-04-12 Hengrui Zhang , Wei Wayne Chen , Akshay Iyer , Daniel W. Apley , Wei Chen

Linear mixed effects models are widely used in statistical modelling. We consider a mixed effects model with Bayesian variable selection in the random effects using spike-and-slab priors and developed a variational Bayes inference scheme…

Methodology · Statistics 2024-08-15 M-Z. Spyropoulou , J. Hopker , J. E. Griffin

We propose a construction for joint feature learning and clustering of multichannel extracellular electrophysiological data across multiple recording periods for action potential detection and discrimination ("spike sorting"). Our…

Computer experiments are often performed to allow modeling of a response surface of a physical experiment that can be too costly or difficult to run except using a simulator. Running the experiment over a dense grid can be prohibitively…

Applications · Statistics 2009-05-25 Robert B. Gramacy , Herbert K. H. Lee

Randomized experiments are the gold standard for evaluating the effects of changes to real-world systems. Data in these tests may be difficult to collect and outcomes may have high variance, resulting in potentially large measurement error.…

Machine Learning · Statistics 2018-06-27 Benjamin Letham , Brian Karrer , Guilherme Ottoni , Eytan Bakshy

The sample efficiency of Bayesian optimization(BO) is often boosted by Gaussian Process(GP) surrogate models. However, on mixed variable spaces, surrogate models other than GPs are prevalent, mainly due to the lack of kernels which can…

Machine Learning · Statistics 2022-07-19 Changyong Oh , Efstratios Gavves , Max Welling

Spin noise spectroscopy has become a widespread technique to extract information on spin dynamics in atomic and solid-state systems, in a potentially non-invasive way, through the optical probing of spin fluctuations. Here we experimentally…

Element-specific spectroscopies using synchrotron-radiation can provide unique insights into materials properties. The recently developed technique of X-ray detected ferromagnetic resonance (XFMR) allows studying the magnetization dynamics…

Materials Science · Physics 2023-05-17 Gerrit van der Laan , Thorsten Hesjedal

Deep Neural Networks (DNNs) rely on inherent fluctuations in their internal parameters (weights and biases) to effectively navigate the complex optimization landscape and achieve robust performance. While these fluctuations are recognized…

Machine Learning · Computer Science 2025-11-14 Darsh Pareek , Umesh Kumar , Ruthu Rao , Ravi Janjam

We present a modular approach to reinforcement learning that uses a Bayesian representation of the uncertainty over models. The approach, BOSS (Best of Sampled Set), drives exploration by sampling multiple models from the posterior and…

Machine Learning · Computer Science 2012-05-14 John Asmuth , Lihong Li , Michael L. Littman , Ali Nouri , David Wingate

Based on machine learning techniques, we propose a novel method to estimate flow fields using only floating sensor locations. This method does not require either ground-truth velocity fields or governing equations for fluid flows, which is…

Fluid Dynamics · Physics 2026-04-07 Tomoya Oura , Reno Miura , Koji Fukagata

This paper presents a method for identifying mechanical parameters of robots or objects, such as their mass and friction coefficients. Key features are the use of off-the-shelf physics engines and the adaptation of a Bayesian optimization…

Robotics · Computer Science 2018-06-14 Shaojun Zhu , Andrew Kimmel , Kostas E. Bekris , Abdeslam Boularias

Uncertainty in biological neural systems appears to be computationally beneficial rather than detrimental. However, in neuromorphic computing systems, device variability often limits performance, including accuracy and efficiency. In this…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Huannan Zheng , Jingli Liu , Kezhou Yang

Real-world autonomous systems operate under uncertainty about both their pose and dynamics. Autonomous control systems must simultaneously perform estimation and control tasks to maintain robustness to changing dynamics or modeling errors.…

Systems and Control · Computer Science 2018-08-03 Patrick Slade , Zachary N. Sunberg , Mykel J. Kochenderfer

End-to-end trained neural networks (NNs) are a compelling approach to autonomous vehicle control because of their ability to learn complex tasks without manual engineering of rule-based decisions. However, challenging road conditions,…

Artificial Intelligence · Computer Science 2021-11-24 Alexander Amini , Ava Soleimany , Sertac Karaman , Daniela Rus

An optimal sequential experimental design approach is developed to computationally characterize soft material properties at the high strain rates associated with bubble cavitation. The approach involves optimal design and model inference.…

Soft Condensed Matter · Physics 2025-11-19 Tianyi Chu , Jonathan B. Estrada , Spencer H. Bryngelson

Biological systems display impressive capabilities in effectively responding to environmental signals in real time. There is increasing evidence that organisms may indeed be employing near optimal Bayesian calculations in their…

Neurons and Cognition · Quantitative Biology 2010-02-12 Steve Yaeli , Ron Meir

FeFETs hold strong potential for advancing memory and logic technologies, but their inherent randomness arising from both operational cycling and fabrication variability poses significant challenges for accurate and reliable modeling.…

Machine Learning · Computer Science 2025-08-06 Tasnia Nobi Afee , Jack Hutchins , Md Mazharul Islam , Thomas Kampfe , Ahmedullah Aziz

Bayesian optimal experiments that maximize the information gained from collected data are critical to efficiently identify behavioral models. We extend a seminal method for designing Bayesian optimal experiments by introducing two…

Applications · Statistics 2025-03-19 Stefano Balietti , Brennan Klein , Christoph Riedl

Neural networks make accurate predictions but often fail to provide reliable uncertainty estimates, especially under covariate distribution shifts between training and testing. To address this problem, we propose a Bayesian framework for…

Machine Learning · Statistics 2025-12-22 Yuli Slavutsky , David M. Blei
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