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Despite their rich information content, electronic structure data amassed at high volumes in $ab$ $initio$ molecular dynamics simulations are generally under-utilized. We introduce a transferable high-fidelity neural network representation…

Materials Science · Physics 2022-02-22 Qiangqiang Gu , Linfeng Zhang , Ji Feng

The macroscopic response of short fiber reinforced composites is dependent on an extensive range of microstructural parameters. Thus, micromechanical modeling of these materials is challenging and in some cases, computationally expensive.…

Machine Learning · Computer Science 2022-10-04 J. Friemann , B. Dashtbozorg , M. Fagerström , S. M. Mirkhalaf

Understanding, reasoning, and manipulating semantic concepts of images have been a fundamental research problem for decades. Previous work mainly focused on direct manipulation on natural image manifold through color strokes, key-points,…

Computer Vision and Pattern Recognition · Computer Science 2018-08-29 Seunghoon Hong , Xinchen Yan , Thomas Huang , Honglak Lee

Microstructures, characterized by intricate structures at the microscopic scale, hold the promise of important disruptions in the field of mechanical engineering due to the superior mechanical properties they offer. One fundamental…

Computational Geometry · Computer Science 2024-11-26 Qiang Zou , Guoyue Luo

Recent advancements in deep learning for automated image processing and classification have accelerated many new applications for medical image analysis. However, most deep learning applications have been developed using reconstructed,…

Computer Vision and Pattern Recognition · Computer Science 2018-12-05 Hyunkwang Lee , Chao Huang , Sehyo Yune , Shahein H. Tajmir , Myeongchan Kim , Synho Do

In this study, we develop a novel multi-fidelity deep learning approach that transforms low-fidelity solution maps into high-fidelity ones by incorporating parametric space information into a standard autoencoder architecture. This method's…

Computational Engineering, Finance, and Science · Computer Science 2024-05-08 Rasoul Najafi Koopas , Shahed Rezaei , Natalie Rauter , Richard Ostwald , Rolf Lammering

Inspired by recent findings that generative diffusion models learn semantically meaningful representations, we use them to discover the intrinsic hierarchical structure in biomedical 3D images using unsupervised segmentation. We show that…

Computer Vision and Pattern Recognition · Computer Science 2023-10-11 Nurislam Tursynbek , Marc Niethammer

Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…

Chemical Physics · Physics 2021-10-13 Xinyao Liu , Kasra Amini , Aurelien Sanchez , Blanca Belsa , Tobias Steinle , Jens Biegert

Hypergraphs, increasingly utilised to model complex and diverse relationships in modern networks, have gained significant attention for representing intricate higher-order interactions. Among various challenges, cohesive subgraph discovery…

Social and Information Networks · Computer Science 2025-07-14 Dahee Kim , Hyewon Kim , Song Kim , Minseok Kim , Junghoon Kim , Yeon-Chang Lee , Sungsu Lim

In this study, we examine the potential of one of the ``superexpressive'' networks in the context of learning neural functions for representing complex signals and performing machine learning downstream tasks. Our focus is on evaluating…

Machine Learning · Computer Science 2025-03-28 Uvini Balasuriya Mudiyanselage , Woojin Cho , Minju Jo , Noseong Park , Kookjin Lee

Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter…

Materials Science · Physics 2026-03-24 Mikhail Lebyodkin , Maxim Gussev , Jamieson Brechtl , Tatiana Lebedkina

Existing deep learning methods in multimode fiber (MMF) imaging often focus on simpler datasets, limiting their applicability to complex, real-world imaging tasks. These models are typically data-intensive, a challenge that becomes more…

Computer Vision and Pattern Recognition · Computer Science 2025-11-26 Jawaria Maqbool , M. Imran Cheema

Interpreting the prediction mechanism of complex models is currently one of the most important tasks in the machine learning field, especially with layered neural networks, which have achieved high predictive performance with various…

Machine Learning · Statistics 2018-10-04 Chihiro Watanabe

Molecular representations fundamentally shape how machine learning systems reason about molecular structure and physical properties. Most existing approaches adopt a discrete pipeline: molecules are encoded as sequences, graphs, or point…

Dynamic brain data, teeming with biological and functional insights, are becoming increasingly accessible through advanced measurements, providing a gateway to understanding the inner workings of the brain in living subjects. However, the…

Neurons and Cognition · Quantitative Biology 2025-08-19 Zixia Zhou , Junyan Liu , Wei Emma Wu , Ruogu Fang , Sheng Liu , Qingyue Wei , Rui Yan , Yi Guo , Qian Tao , Yuanyuan Wang , Md Tauhidul Islam , Lei Xing

Scene Text Recognition requires modeling visual structures that evolve from coarse layouts to fine-grained character strokes. Training such models relies on large amounts of annotated data. Recent self-supervised approaches, such as Masked…

Computer Vision and Pattern Recognition · Computer Science 2026-05-15 Zhuohao Chen , Zeng Li , Yifei Zhang , Chang Liu , Yu Zhou

t-SNE and hierarchical clustering are popular methods of exploratory data analysis, particularly in biology. Building on recent advances in speeding up t-SNE and obtaining finer-grained structure, we combine the two to create tree-SNE, a…

Machine Learning · Computer Science 2020-02-14 Isaac Robinson , Emma Pierce-Hoffman

We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the…

Machine Learning · Computer Science 2023-07-25 Rahul Ramesh , Jialin Mao , Itay Griniasty , Rubing Yang , Han Kheng Teoh , Mark Transtrum , James P. Sethna , Pratik Chaudhari

The extensive adoption of Deep Neural Networks has led to their increased utilization in challenging scientific visualization tasks. Recent advancements in building compressed data models using implicit neural representations have shown…

Machine Learning · Computer Science 2025-10-20 Abhay Kumar Dwivedi , Shanu Saklani , Soumya Dutta

As the intermediate-level representations bridging the two levels, structured representations of visual scenes, such as visual relationships between pairwise objects, have been shown to not only benefit compositional models in learning to…

Computer Vision and Pattern Recognition · Computer Science 2022-07-12 Meng-Jiun Chiou
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