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Chemical process optimization maximizes production efficiency and economic performance, but optimization algorithms, including gradient-based solvers, numerical methods, and parameter grid searches, become impractical when operating…

Machine Learning · Computer Science 2025-10-17 Tong Zeng , Srivathsan Badrinarayanan , Janghoon Ock , Cheng-Kai Lai , Amir Barati Farimani

Existing curved-layer-based process planning methods for multi-axis manufacturing address collisions only indirectly and generate toolpaths in a post-processing step, leaving toolpath geometry uncontrolled during optimization. We present an…

Robotics · Computer Science 2026-04-22 Neelotpal Dutta , Tianyu Zhang , Tao Liu , Yongxue Chen , Charlie C. L. Wang

Determining a process-structure-property relationship is the holy grail of materials science, where both computational prediction in the forward direction and materials design in the inverse direction are essential. Problems in materials…

Computational Engineering, Finance, and Science · Computer Science 2020-04-28 Anh Tran , John A. Mitchell , Laura P. Swiler , Tim Wildey

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

Materials Science · Physics 2026-03-17 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Emeric Bourasseau

Developing inverse design methods for functional materials with specific properties is critical to advancing fields like renewable energy, catalysis, energy storage, and carbon capture. Generative models based on diffusion principles can…

Materials Science · Physics 2026-05-19 Xiao-Qi Han , Peng-Jie Guo , Ze-Feng Gao , Hao Sun , Zhong-Yi Lu

For the last thirty years, several Dynamic Memory Managers (DMMs) have been proposed. Such DMMs include first fit, best fit, segregated fit and buddy systems. Since the performance, memory usage and energy consumption of each DMM differs,…

Neural and Evolutionary Computing · Computer Science 2024-07-16 José L. Risco-Martín , David Atienza , J. Manuel Colmenar , Oscar Garnica

The high computational complexity and energy consumption of artificial intelligence (AI) algorithms hinder their application in augmented reality (AR) systems. However, mobile edge computing (MEC) makes it possible to solve this problem.…

Networking and Internet Architecture · Computer Science 2023-01-04 Guangjin Pan , Heng Zhang , Shugong Xu , Shunqing Zhang , Xiaojing Chen

In the pursuit of sustainable manufacturing, ultra-short pulse laser micromachining stands out as a promising solution while also offering high-precision and qualitative laser processing. However, unlocking the full potential of ultra-short…

Signal Processing · Electrical Eng. & Systems 2025-12-03 Luis Correas-Naranjo , Miguel Camacho-Sánchez , Laëtitia Launet , Milena Zuric , Valery Naranjo

The interaction of relativistically intense lasers with opaque targets represents a highly non-linear, multi-dimensional parameter space. This limits the utility of sequential 1D scanning of experimental parameters for the optimisation of…

Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient,…

Layered manufacturing inherently suffers from staircase defects along surfaces that are gently slopped with respect to the build direction. Reducing the slice thickness improves the situation but never resolves it completely as flat layers…

Graphics · Computer Science 2017-04-11 Hai-Chuan Song , Nicolas Ray , Dmitry Sokolov , Sylvain Lefebvre

Efficient AI inference on AMD's Versal AI Engine (AIE) is challenging due to tightly coupled VLIW execution, explicit datapaths, and local memory management. Prior work focused on first-generation AIE kernel optimizations, without tackling…

The performance of battery materials is determined by their composition and the processing conditions employed during commercial-scale fabrication, where raw materials undergo complex processing steps with various additives to yield final…

Signal Processing · Electrical Eng. & Systems 2025-05-27 Seon-Hwa Lee , Insoo Ye , Changhwan Lee , Jieun Kim , Geunho Choi , Sang-Cheol Nam , Inchul Park

Many emerging AI applications request distributed machine learning (ML) among edge systems (e.g., IoT devices and PCs at the edge of the Internet), where data cannot be uploaded to a central venue for model training, due to their large…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-11-19 Hanpeng Hu , Dan Wang , Chuan Wu

Large-scale atomistic simulations rely on interatomic potentials providing an efficient representation of atomic energies and forces. Modern machine-learning (ML) potentials provide the most precise representation compared to electronic…

Computational Physics · Physics 2025-04-23 David Immel , Ralf Drautz , Godehard Sutmann

In the era of big data, many big organizations are integrating machine learning into their work pipelines to facilitate data analysis. However, the performance of their trained models is often restricted by limited and imbalanced data…

Machine Learning · Computer Science 2024-03-05 Cheng Chen , Jiaying Zhou , Jie Ding , Yi Zhou

Nanoindentation is vital for probing mechanical properties, yet traditional grid-based workflows are inefficient for targeting specific microstructural features. We present an automated nanoindentation framework that integrates machine…

Instrumentation and Detectors · Physics 2025-04-28 Vivek Chawla , Dayakar Penumadu , Sergei Kalinin

A fundamental challenge in the design of photonic devices, and electromagnetic structures more generally, is the optimization of their overall architecture to achieve a desired response. To this end, topology or shape optimizers based on…

Inverse design (ID) is a computational method that systematically explores a design space to find optimal device geometries based on specific performance criteria. In silicon photonics, ID often leads to devices with design features that…

Systems and Control · Electrical Eng. & Systems 2024-10-11 Shaheer Khan , Mustafa Hammood , Nicolas A. F. Jaeger , Lukas Chrostowski

Traditional methods for optimizing light source emissions rely on a time-consuming trial-and-error approach. While in-situ optimization of light source gain media emission during growth is ideal, it has yet to be realized. In this work, we…

Mesoscale and Nanoscale Physics · Physics 2024-11-04 Chao Shen , Wenkang Zhan , Shujie Pan , Hongyue Hao , Ning Zhuo , Kaiyao Xin , Hui Cong , Chi Xu , Bo Xu , Tien Khee Ng , Siming Chen , Chunlai Xue , Fengqi Liu , Zhanguo Wang , Chao Zhao