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Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram generation involves experimentation to provide an initial…

Cross-disciplinary teams increasingly work with high-dimensional scientific datasets, yet fragmented toolchains and limited support for shared exploration hinder collaboration. Prior immersive visualization and analytics research has…

Human-Computer Interaction · Computer Science 2026-02-05 Fahim Arsad Nafis , Jie Li , Simon Su , Songqing Chen , Bo Han

Advances in manufacturing and characterization of complex molecular systems have created a need for new methods for design at molecular length scales. Emerging approaches are increasingly relying on the use of Artificial Intelligence (AI),…

Soft Condensed Matter · Physics 2022-08-17 Dan Mendels , Fabian Byléhn , Timothy W. Sirk , Juan J. de Pablo

As technology scaling is approaching the physical limit, lithography hotspot detection has become an essential task in design for manufacturability. While the deployment of pattern matching or machine learning in hotspot detection can help…

Machine Learning · Computer Science 2021-08-02 Xuezhong Lin , Jingyu Pan , Jinming Xu , Yiran Chen , Cheng Zhuo

Data collected by large-scale instruments, observatories, and sensor networks are key enablers of scientific discoveries in many disciplines. However, ensuring that these data can be accessed, integrated, and analyzed in a democratized and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-14 Yubo Qin , Ivan Rodero , Manish Parashar

The development of machine-learning models for atomic-scale simulations has benefited tremendously from the large databases of materials and molecular properties computed in the past two decades using electronic-structure calculations. More…

Dielectric materials are critical building blocks for modern electronics such as sensors, actuators, and transistors. With rapid advances in soft and stretchable electronics for emerging human- and robot-interfacing applications, there is a…

Machine Learning · Computer Science 2026-03-20 Brijesh FNU , Viet Thanh Duy Nguyen , Ashima Sharma , Md Harun Rashid Molla , Chengyi Xu , Truong-Son Hy

While the forward and backward modeling of the process-structure-property chain has received a lot of attention from the materials community, fewer efforts have taken into consideration uncertainties. Those arise from a multitude of sources…

Machine Learning · Statistics 2021-08-06 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

The sharp and recent increase in the availability of data captured by different sensors combined with their considerably heterogeneous natures poses a serious challenge for the effective and efficient processing of remotely sensed data.…

High-entropy alloys, which exist in the high-dimensional composition space, provide enormous unique opportunities for realizing unprecedented structural and functional properties. A fundamental challenge, however, lies in how to predict the…

Materials Science · Physics 2021-05-20 Jie Qi , Andrew M. Cheung , S. Joseph Poon

During the past decade, metal additive manufacturing (MAM) has experienced significant developments and gained much attention due to its ability to fabricate complex parts, manufacture products with functionally graded materials, minimize…

Machine Learning · Computer Science 2023-07-06 Sina Tayebati , Kyu Taek Cho

Advances in machine learning research drive progress in real-world applications. To ensure this progress, it is important to understand the potential pitfalls on the way from a novel method's success on academic benchmarks to its practical…

Machine Learning · Computer Science 2024-10-25 Ivan Rubachev , Nikolay Kartashev , Yury Gorishniy , Artem Babenko

Increases in energy prices and the global goal of mitigating CO2 emissions necessitate the development of intelligent Building Management Systems (BMS) that operate on an energy-efficient basis. Data Centers, buildings and/or group of…

Signal Processing · Electrical Eng. & Systems 2025-03-19 Xavier Vasques , Thibaut Possompes , Herve Rey , Marine Le Touze , Nicolas Auboin , Emmanuelle Passot , Benoit Lange

Cellular solids and micro-lattices are a class of lightweight architected materials that have been established for their unique mechanical, thermal, and acoustic properties. It has been shown that by tuning material architecture, a…

Materials Science · Physics 2024-03-12 Shengzhi Luan , Enze Chen , Joel John , Stavros Gaitanaros

Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…

Machine Learning · Computer Science 2025-10-29 Robert J Appleton , Brian C Barnes , Alejandro Strachan

Data-driven design of mechanical metamaterials is an increasingly popular method to combat costly physical simulations and immense, often intractable, geometrical design spaces. Using a precomputed dataset of unit cells, a multiscale…

Computational Engineering, Finance, and Science · Computer Science 2021-12-08 Yu-Chin Chan , Faez Ahmed , Liwei Wang , Wei Chen

Data-driven modeling is becoming central to multiphase transport, electronics cooling, acoustic diagnostics, and thermal-fluid digital twins, but progress is limited by fragmented datasets and raw instrument files that are difficult to…

The rapid growth of automated and autonomous instrumentations brings forth an opportunity for the co-orchestration of multimodal tools, equipped with multiple sequential detection methods, or several characterization tools to explore…

Accurate and computationally-viable representations of clouds and turbulence are a long-standing challenge for climate model development. Traditional parameterizations that crudely but efficiently approximate these processes are a leading…

Atmospheric and Oceanic Physics · Physics 2024-01-05 Jerry Lin , Mohamed Aziz Bhouri , Tom Beucler , Sungduk Yu , Michael Pritchard
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