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The increased availability of computing time, in recent years, allows for systematic high-throughput studies of material classes with the purpose of both screening for materials with remarkable properties and understanding how structural…

Materials Science · Physics 2023-11-28 Robin Hilgers , Daniel Wortmann , Stefan Blügel

Accurate performance prediction is essential for optimizing scientific applications on modern high-performance computing (HPC) architectures. Widely used performance models primarily focus on cache and memory bandwidth, which is suitable…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-24 Xuanzhengbo Ren , Yuta Kawai , Tetsuya Hoshino , Hirofumi Tomita , Takahiro Katagiri , Daichi Mukunoki , Seiya Nishizawa

This paper proposes an efficient general alternating-direction implicit (GADI) framework for solving large sparse linear systems. The convergence property of the GADI framework is discussed. Most of the existing ADI methods can be viewed as…

Numerical Analysis · Mathematics 2022-05-04 Kai Jiang , Xuehong Su , Juan Zhang

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

In this work, we present a novel machine learning approach for pricing high-dimensional American options based on the modified Gaussian process regression (GPR). We incorporate deep kernel learning and sparse variational Gaussian processes…

Computational Finance · Quantitative Finance 2024-04-19 Jirong Zhuang , Deng Ding , Weiguo Lu , Xuan Wu , Gangnan Yuan

Continuous fiber-reinforced composite manufactured by additive manufacturing (CFRC-AM) offers opportunities for printing lightweight materials with high specific strength. However, their performance is sensitive to the interaction of…

Computational Physics · Physics 2025-12-30 Behzad Parvaresh , Rahmat K. Adesunkanmi , Adel Alaeddini

We present a scale-bridging approach based on a multi-fidelity (MF) machine-learning (ML) framework leveraging Gaussian processes (GP) to fuse atomistic computational model predictions across multiple levels of fidelity. Through the…

Computational Physics · Physics 2020-08-06 Anh Tran , Julien Tranchida , Tim Wildey , Aidan P. Thompson

Toolpath optimization of metal-based additive manufacturing processes is currently hampered by the high-dimensionality of its design space. In this work, a reinforcement learning platform is proposed that dynamically learns toolpath…

Artificial Intelligence · Computer Science 2020-10-01 Mojtaba Mozaffar , Ablodghani Ebrahimi , Jian Cao

Autonomous experiments are excellent tools to increase the efficiency of material discovery. Indeed, AI and ML methods can help optimizing valuable experimental resources as, for example, beam time in neutron scattering experiments, in…

Data Analysis, Statistics and Probability · Physics 2021-05-19 Mario Teixeira Parente , Georg Brandl , Christian Franz , Astrid Schneidewind , Marina Ganeva

Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical,…

Materials Science · Physics 2022-03-22 Sanket Kadulkar , Zachary M. Sherman , Venkat Ganesan , Thomas M. Truskett

Successful material selection is critical in designing and manufacturing products for design automation. Designers leverage their knowledge and experience to create high-quality designs by selecting the most appropriate materials through…

Traditionally, yield strength prediction relies on detailed and resource-intensive microstructural characterization combined with empirical equations. However, quantifying microstructural feature length scales for novel processes like…

Materials Science · Physics 2024-12-12 Abhinav Chandraker , Sampad Barik , Nichenametla Jai Sai , Ankur Chauhan

Advanced engineering materials design involves the exploration of massive multidimensional feature spaces, the correlation of materials properties and the processing parameters derived from disparate sources. The search for alternative…

Artificial Intelligence · Computer Science 2013-01-03 Doreswamy , M. N. Vanajakshi

The quality of the part fabricated from the Additive Manufacturing (AM) process depends upon the process parameters used, and therefore, optimization is required for apt quality. A methodology is proposed to set these parameters…

Computer Vision and Pattern Recognition · Computer Science 2025-01-27 Sunita Khod , Akshay Dvivedi , Mayank Goswami

Contraction theory formulates the analysis of nonlinear systems in terms of Jacobian matrices. Although this provides the potential to develop a linear matrix inequality (LMI) framework for nonlinear control design, conditions are imposed…

Systems and Control · Electrical Eng. & Systems 2023-01-23 Yu Kawano , Kenji Kashima

In this paper, we propose PATO-a producibility-aware topology optimization (TO) framework to help efficiently explore the design space of components fabricated using metal additive manufacturing (AM), while ensuring manufacturability with…

Computational Engineering, Finance, and Science · Computer Science 2021-12-10 Naresh S. Iyer , Amir M. Mirzendehdel , Sathyanarayanan Raghavan , Yang Jiao , Erva Ulu , Morad Behandish , Saigopal Nelaturi , Dean M. Robinson

Gaussian processes (GPs) have gained popularity as flexible machine learning models for regression and function approximation with an in-built method for uncertainty quantification. However, GPs suffer when the amount of training data is…

Machine Learning · Statistics 2025-11-26 Jonas Latz , Aretha L. Teckentrup , Simon Urbainczyk

Lost circulation remains a major and costly challenge in drilling operations, often resulting in wellbore instability, stuck pipe, and extended non-productive time. Accurate prediction of fluid loss is therefore essential for improving…

Machine Learning · Computer Science 2025-11-11 Seshu Kumar Damarla , Xiuli Zhu

This paper proposes an adaptive random experiment design (ARED) algorithm that can be applied to optimize the multiple factors and levels experiments. The algorithm takes real-time model error as the adaptive condition, and outputs a model…

Signal Processing · Electrical Eng. & Systems 2020-09-01 Zhou Qiao , Duan Xiaochang , Tang Wei

Graph-based machine learning has emerged as a promising approach for manufacturability analysis by learning directly from CAD models represented as Boundary Representations (B-reps), exploiting both surface geometry and topological…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Matteo Ballegeer , Toon Van Camp , Willem Jaspers , Alp Bayar , Aung Nyein Soe , Martin Roelfs , Dries F. Benoit , Bieke Decraemer , Joost R. Duflou