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Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

Biomolecules · Quantitative Biology 2024-03-05 Jeff Guo , Philippe Schwaller

This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…

Computational Engineering, Finance, and Science · Computer Science 2019-04-30 Eric Neiva , Santiago Badia , Alberto F. Martín , Michele Chiumenti

Additive manufacturing (AM; 3D Printing), a process which creates a part layer-by-layer, has the potential to improve upon conventional lightweight mirror manufacturing techniques, including subtractive (milling), formative (casting) and…

We develop a mixture-based approach to robust density modeling and outlier detection for experimental multivariate data that includes measurement error information. Our model is designed to infer atypical measurements that are not due to…

Astrophysics · Physics 2007-09-07 Jianyong Sun , Ata Kaban , Somak Raychaudhury

Large language models are increasingly applied to materials science, yet fundamental questions remain about their reliability and knowledge encoding. Evaluating 25 LLMs across four materials science tasks -- over 200 base and fine-tuned…

Materials Science · Physics 2026-03-03 Vineeth Venugopal , Soroush Mahjoubi , Elsa Olivetti

Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

Materials Science · Physics 2020-10-12 Sen Liu , Branden B. Kappes , Behnam Amin-ahmadi , Othmane Benafan , Xiaoli Zhang , Aaron P. Stebner

Two-dimensional (2D) materials have been a central focus of recent research because they host a variety of properties, making them attractive both for fundamental science and for applications. It is thus crucial to be able to identify…

Materials Science · Physics 2022-11-18 Mohammad Tohidi Vahdat , Kumar Agrawal Varoon , Giovanni Pizzi

Effectively addressing the challenge of industrial Anomaly Detection (AD) necessitates an ample supply of defective samples, a constraint often hindered by their scarcity in industrial contexts. This paper introduces a novel algorithm…

Computer Vision and Pattern Recognition · Computer Science 2024-03-27 Hanxi Li , Zhengxun Zhang , Hao Chen , Lin Wu , Bo Li , Deyin Liu , Mingwen Wang

Achieving precise alignment between textual instructions and generated images in text-to-image generation is a significant challenge, particularly in rendering written text within images. Sate-of-the-art models like Stable Diffusion 3…

Computer Vision and Pattern Recognition · Computer Science 2025-05-06 Xixi Hu , Keyang Xu , Bo Liu , Qiang Liu , Hongliang Fei

Deployed machine learning models should be updated to take advantage of a larger sample size to improve performance, as more data is gathered over time. Unfortunately, even when model updates improve aggregate metrics such as accuracy, they…

Machine Learning · Computer Science 2023-05-09 George Adam , Benjamin Haibe-Kains , Anna Goldenberg

Due to the high complexity and technical requirements of industrial production processes, surface defects will inevitably appear, which seriously affects the quality of products. Although existing lightweight detection networks are highly…

Computer Vision and Pattern Recognition · Computer Science 2024-08-27 Xuyi Yu

The advancement of polymer informatics has been significantly propelled by the integration of machine learning (ML) techniques, enabling the rapid prediction of polymer properties and expediting the discovery of high-performance polymeric…

Materials Science · Physics 2025-04-01 Jiaxin Xu , Gang Liu , Ruilan Guo , Meng Jiang , Tengfei Luo

A significant challenge for predictive maintenance in the pulp-and-paper industry is the infrequency of paper breaks during the production process. In this article, operational data is analyzed from a paper manufacturing machine in which…

Machine Learning · Computer Science 2023-11-17 Hamed Khosravi , Sarah Farhadpour , Manikanta Grandhi , Ahmed Shoyeb Raihan , Srinjoy Das , Imtiaz Ahmed

A modeling paradigm is developed to augment predictive models of turbulence by effectively utilizing limited data generated from physical experiments. The key components of our approach involve inverse modeling to infer the spatial…

Computational Engineering, Finance, and Science · Computer Science 2016-11-08 Anand Pratap Singh , Shivaji Medida , Karthik Duraisamy

In industrial anomaly detection, model efficiency and mobile-friendliness become the primary concerns in real-world applications. Simultaneously, the impressive generalization capabilities of Segment Anything (SAM) have garnered broad…

Computer Vision and Pattern Recognition · Computer Science 2024-11-20 Chenghao Li , Lei Qi , Xin Geng

In the rapidly advancing field of materials informatics, nonlinear machine learning models have demonstrated exceptional predictive capabilities for material properties. However, their black-box nature limits interpretability, and they may…

Materials Science · Physics 2026-04-24 Joohwi Lee , Kaito Miyamoto

Transforming a design into a high-quality product is a challenge in metal additive manufacturing due to rare events which can cause defects to form. Detecting these events in-situ could, however, reduce inspection costs, enable corrective…

Computer Vision and Pattern Recognition · Computer Science 2023-05-05 Sebastian Larsen , Paul A. Hooper

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

The presence of gas pores in metal feedstock powder for additive manufacturing greatly affects the final AM product. Since current porosity analysis often involves lengthy X-ray computed tomography (XCT) scans with a full rotation around…

Computer Vision and Pattern Recognition · Computer Science 2024-08-06 Andreas Bjerregaard , David Schumacher , Jon Sporring