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Persistent homology is a powerful tool for characterizing the topology of a data set at various geometric scales. When applied to the description of molecular structures, persistent homology can capture the multiscale geometric features and…

Quantitative Methods · Quantitative Biology 2018-07-31 Zixuan Cang , Guo-Wei Wei

2. In Section 3, we used some vague statements to affirm the training process of the neural network, which cannot support others to reproduce the results of the paper. In addition, this section does not show the difference between this…

Optimization and Control · Mathematics 2020-07-01 Liang Xue , Jie Liu , Guilin Wen , Hongxin Wang

Over the past decade, artificially engineered optical materials and nanostructured thin films have revolutionized the area of photonics by employing novel concepts of metamaterials and metasurfaces where spatially varying structures yield…

Computational experiments are exploited in finding a well-designed processing path to optimize material structures for desired properties. This requires understanding the interplay between the processing-(micro)structure-property linkages…

Computational Engineering, Finance, and Science · Computer Science 2023-05-04 Junrong Lin , Mahmudul Hasan , Pinar Acar , Jose Blanchet , Vahid Tarokh

Presently, topology optimization requires multiple iterations to create an optimized structure for given conditions. Among the conditions for topology optimization,the design area is one of the most important for structural design. In this…

Computational Engineering, Finance, and Science · Computer Science 2020-04-21 Keigo Nakamura , Yoshiro Suzuki

Topology design optimization offers tremendous opportunity in design and manufacturing freedoms by designing and producing a part from the ground-up without a meaningful initial design as required by conventional shape design optimization…

Machine Learning · Statistics 2019-01-10 Sharad Rawat , M. H. Herman Shen

Multimodal representation learning aims to capture both shared and complementary semantic information across multiple modalities. However, the intrinsic heterogeneity of diverse modalities presents substantial challenges to achieve…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Chengxuan Qian , Shuo Xing , Shawn Li , Yue Zhao , Zhengzhong Tu

The design of fluid channel structures of reactors or separators of chemical processes is key to enhancing the mass transfer processes inside the devices. However, the systematic design of channel topological structures is difficult for…

Fluid Dynamics · Physics 2025-03-07 Chenhui Kou , Yuhui Yin , Min Zhu , Shengkun Jia , Yiqing Luo , Xigang Yuana , Lu Lu

In this work we introduce and analyze a new multiscale method for strongly nonlinear monotone equations in the spirit of the Localized Orthogonal Decomposition. A problem-adapted multiscale space is constructed by solving linear local…

Numerical Analysis · Mathematics 2020-12-16 Barbara Verfürth

Deep learning systems are optimized for clusters with homogeneous resources. However, heterogeneity is prevalent in computing infrastructure across edge, cloud and HPC. When training neural networks using stochastic gradient descent…

Machine Learning · Computer Science 2025-03-25 Sahil Tyagi , Prateek Sharma

High-quality training data is the foundation of machine learning and artificial intelligence, shaping how models learn and perform. Although much is known about what types of data are effective for training, the impact of the data's…

Machine Learning · Computer Science 2025-10-21 Yang Ba , Mohammad Sadeq Abolhasani , Rong Pan

Constitutive models play a crucial role in materials science as they describe the behavior of the materials in mathematical forms. Over the last few decades, the rapid development of manufacturing technologies have led to the discovery of…

Materials Science · Physics 2024-10-17 Xinxin Wu , Yin Zhang , Sheng Mao

Microstructural heterogeneity affects the macro-scale behavior of materials. Conversely, load distribution at the macro-scale changes the microstructural response. These up-scaling and down-scaling relations are often modeled using…

Materials Science · Physics 2023-06-13 Ashwini Gupta , Anindya Bhaduri , Lori Graham-Brady

The thermoelastic metamaterial based on a bimaterial hybrid-honeycomb structure, exhibiting simultaneously negative Poisson's ratios and negative thermal expansion coefficients is very promising for various application. This work is…

Applied Physics · Physics 2026-02-25 Xiang-Long Peng , Bai-Xiang Xu

Real-world physical systems, like composite materials and porous media, exhibit complex heterogeneities and multiscale nature, posing significant computational challenges. Computational homogenization is useful for predicting macroscopic…

Computational Engineering, Finance, and Science · Computer Science 2024-07-29 Yuki Sato , Yuto Lewis Terashima , Ruho Kondo

Machine-learning function representations such as neural networks have proven to be excellent constructs for constitutive modeling due to their flexibility to represent highly nonlinear data and their ability to incorporate constitutive…

Soft Condensed Matter · Physics 2024-04-25 Jan N. Fuhg , Asghar Jadoon , Oliver Weeger , D. Thomas Seidl , Reese E. Jones

Mechanical product engineering often must comply with manufacturing or geometric constraints related to the shaping process. Mechanical design hence should rely on robust and fast tools to explore complex shapes, typically for design for…

Computational Engineering, Finance, and Science · Computer Science 2020-10-23 Waad Almasri , Dimitri Bettebghor , Fakhreddine Ababsa , Florence Danglade

Heterogeneous materials, crucial in various engineering applications, exhibit complex multiscale behavior, which challenges the effectiveness of traditional computational methods. In this work, we introduce the Micromechanics Transformer…

Computational Engineering, Finance, and Science · Computer Science 2024-10-10 Sifan Wang , Tong-Rui Liu , Shyam Sankaran , Paris Perdikaris

Structural disorder can improve the optical properties of metasurfaces, whether it is emerging from some large-scale fabrication methods, or explicitly designed and built lithographically. Correlated disorder, induced by a minimum…

The identification and classification of transitions in topological and microstructural regimes in pattern-forming processes are critical for understanding and fabricating microstructurally precise novel materials in many application…

Materials Science · Physics 2022-08-12 Marcin Abram , Keith Burghardt , Greg Ver Steeg , Aram Galstyan , Remi Dingreville