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Key to being able to accurately model the properties of realistic materials is being able to predict their properties in the thermodynamic limit. Nevertheless, because most many-body electronic structure methods scale as a high-order…

Chemical Physics · Physics 2024-04-04 Edgar Josué Landinez Borda , Kenneth O. Berard , Annette Lopez , Brenda Rubenstein

Recent advancements in AI-generated content have significantly improved the realism of 3D and 4D generation. However, most existing methods prioritize appearance consistency while neglecting underlying physical principles, leading to…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Siwei Meng , Yawei Luo , Ping Liu

Safety-critical control using high-dimensional sensory feedback from optical data (e.g., images, point clouds) poses significant challenges in domains like autonomous driving and robotic surgery. Control can rely on low-dimensional states…

Learning control policies for real-world robotic tasks often involve challenges such as multimodality, local discontinuities, and the need for computational efficiency. These challenges arise from the complexity of robotic environments,…

Robotics · Computer Science 2025-02-05 Shu-yuan Wang , Hikaru Sasaki , Takamitsu Matsubara

Physical phenomena are observed in many fields (sciences and engineering) and are often studied by time-consuming computer codes. These codes are analyzed with statistical models, often called emulators. In many situations, the physical…

Probability · Mathematics 2016-06-07 Hassan Maatouk , Xavier Bay

The rapid design of advanced materials is a topic of great scientific interest. The conventional, ``forward'' paradigm of materials design involves evaluating multiple candidates to determine the best candidate that matches the target…

We present a physics-informed Gaussian Process Regression (GPR) model to predict the phase angle, angular speed, and wind mechanical power from a limited number of measurements. In the traditional data-driven GPR method, the form of the…

Signal Processing · Electrical Eng. & Systems 2018-06-29 Ramakrishna Tipireddy , Alexandre Tartakovsky

Control barrier functions (CBFs) have recently introduced a systematic tool to ensure system safety by establishing set invariance. When combined with a nominal control strategy, they form a safety-critical control mechanism. However, the…

Systems and Control · Electrical Eng. & Systems 2024-04-22 Mohammad Aali , Jun Liu

The efficiency of active learning (AL) approaches to identify materials with desired properties relies on the knowledge of a few parameters describing the property. However, these parameters are unknown if the property is governed by a high…

Materials Science · Physics 2024-12-10 Akhil S. Nair , Lucas Foppa , Matthias Scheffler

This paper proposes an active learning-based Gaussian process (AL-GP) metamodelling method to estimate the cumulative as well as complementary cumulative distribution function (CDF/CCDF) for forward uncertainty quantification (UQ) problems.…

Machine Learning · Statistics 2019-08-28 Ziqi Wang , Marco Broccardo

Active learning is a valuable tool for efficiently exploring complex spaces, finding a variety of uses in materials science. However, the determination of convex hulls for phase diagrams does not neatly fit into traditional active learning…

Materials Science · Physics 2024-02-27 Andrew Novick , Diana Cai , Quan Nguyen , Roman Garnett , Ryan Adams , Eric Toberer

Recent advancements in machine learning-based methods have demonstrated great potential for improved property prediction in material science. However, reliable estimation of the confidence intervals for the predicted values remains a…

Machine Learning · Computer Science 2025-01-28 Jiang Chang , Deekshith Basvoju , Aleksandar Vakanski , Indrajit Charit , Min Xian

Recent advances in deep learning have led to a data-centric intelligence i.e. artificially intelligent models unlocking the potential to ingest a large amount of data and be really good at performing digital tasks such as text-to-image…

Computer Vision and Pattern Recognition · Computer Science 2024-06-03 Muhammad Zubair Irshad

Alloy discovery is constrained by vast compositional spaces, competing objectives, and prohibitive experimental costs. Although simulations and machine learning have each accelerated parts of this process, unifying scientific knowledge,…

Modern aerospace guidance systems demand rigorous constraint satisfaction, optimal performance, and computational efficiency. Traditional analytical methods struggle to simultaneously satisfy these requirements. While data driven methods…

Systems and Control · Electrical Eng. & Systems 2025-04-08 Han Wang , Donghe Chen , Tengjie Zheng , Lin Cheng , Shengping Gong

Learning uncertain dynamics models using Gaussian process~(GP) regression has been demonstrated to enable high-performance and safety-aware control strategies for challenging real-world applications. Yet, for computational tractability,…

Optimization and Control · Mathematics 2024-09-17 Manish Prajapat , Amon Lahr , Johannes Köhler , Andreas Krause , Melanie N. Zeilinger

We identify a new variational inference scheme for dynamical systems whose transition function is modelled by a Gaussian process. Inference in this setting has either employed computationally intensive MCMC methods, or relied on…

Machine Learning · Statistics 2019-06-14 Alessandro Davide Ialongo , Mark van der Wilk , James Hensman , Carl Edward Rasmussen

We propose a control design method for linear time-invariant systems that iteratively learns to satisfy unknown polyhedral state constraints. At each iteration of a repetitive task, the method constructs an estimate of the unknown…

Systems and Control · Electrical Eng. & Systems 2023-06-13 Monimoy Bujarbaruah , Charlott Vallon , Francesco Borrelli

In this study, the first-of-its-kind use of active learning (AL) framework in thermal spray is adapted to improve the prediction accuracy of the in-flight particle characteristics and uses Gaussian Process (GP) ML model as a surrogate that…

We propose an element-agnostic set of descriptors to model superalloy properties with Gaussian process regression. Furthermore, we develop a correction method to deliver the best and most physical predictions for microchemistry in…

Materials Science · Physics 2022-12-14 Patrick L Taylor , Gareth Conduit
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