English
Related papers

Related papers: aflow++: a C++ framework for autonomous materials …

200 papers

Optical flow estimation is a fundamental and long-standing visual task. In this work, we present a novel method, dubbed HMAFlow, to improve optical flow estimation in challenging scenes, particularly those involving small objects. The…

Computer Vision and Pattern Recognition · Computer Science 2024-11-18 Dianbo Ma , Kousuke Imamura , Ziyan Gao , Xiangjie Wang , Satoshi Yamane

Materials discovery via high-throughput methods relies on the availability of structural prototypes, which are generally decorated with varying combinations of elements to produce potential new materials. To facilitate the automatic…

Recent advances in artificial intelligence (AI) have produced highly capable and controllable systems. This creates unprecedented opportunities for structured reasoning as well as collaboration among multiple AI systems and humans. To fully…

Generative AI promises to allow people to create high-quality personalized media. Although powerful, we identify three fundamental design problems with existing tooling through a literature review. We introduce a multimodal generative AI…

Human-Computer Interaction · Computer Science 2025-06-23 Gregory Croisdale , Emily Huang , John Joon Young Chung , Anhong Guo , Xu Wang , Austin Z. Henley , Cyrus Omar

Digital Compute-in-Memory (CIM) architectures have shown great promise in Deep Neural Network (DNN) acceleration by effectively addressing the "memory wall" bottleneck. However, the development and optimization of digital CIM accelerators…

Hardware Architecture · Computer Science 2025-05-05 Yingjie Qi , Jianlei Yang , Yiou Wang , Yikun Wang , Dayu Wang , Ling Tang , Cenlin Duan , Xiaolin He , Weisheng Zhao

One of the prevailing challenges in Computational Fluid Dynamics is accurate simulation of two-phase flows involving heat and mass transfer across the fluid interface. This is currently an active field of research, which is to some extend…

Fluid Dynamics · Physics 2021-03-02 Henning Scheufler , Johan Roenby

Automatic black-and-white image sequence colorization while preserving character and object identity (ID) is a complex task with significant market demand, such as in cartoon or comic series colorization. Despite advancements in visual…

Computer Vision and Pattern Recognition · Computer Science 2025-05-06 Junhao Zhuang , Xuan Ju , Zhaoyang Zhang , Yong Liu , Shiyi Zhang , Chun Yuan , Ying Shan

Optical flow is an indispensable building block for various important computer vision tasks, including motion estimation, object tracking, and disparity measurement. In this work, we propose TransFlow, a pure transformer architecture for…

Computer Vision and Pattern Recognition · Computer Science 2023-04-25 Yawen Lu , Qifan Wang , Siqi Ma , Tong Geng , Yingjie Victor Chen , Huaijin Chen , Dongfang Liu

Generative art unlocks boundless creative possibilities, yet its full potential remains untapped due to the technical expertise required for advanced architectural concepts and computational workflows. To bridge this gap, we present…

Computer Vision and Pattern Recognition · Computer Science 2025-09-11 Duc-Hung Nguyen , Huu-Phuc Huynh , Minh-Triet Tran , Trung-Nghia Le

Discovering heterogeneous catalysts tailored for specific reaction intermediates remains a fundamental bottleneck in materials science. While traditional trial-and-error methods and recent generative models have shown promise, they struggle…

Materials Science · Physics 2026-05-19 Minkyu Kim , Nayoung Kim , Honghui Kim , Sungsoo Ahn

The discovery of materials with tailored properties is increasingly reliant on computational methods. However, the fragmented landscape of existing software often hinders the seamless integration of large-scale structure prediction with…

Materials Science · Physics 2026-04-24 Jiexi Song , Aixian She , Changpeng Song , Diwei Shi , Fengyuan Xuan , Chongde Cao

The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

The proposed RMS-FlowNet++ is a novel end-to-end learning-based architecture for accurate and efficient scene flow estimation that can operate on high-density point clouds. For hierarchical scene f low estimation, existing methods rely on…

Computer Vision and Pattern Recognition · Computer Science 2024-07-02 Ramy Battrawy , René Schuster , Didier Stricker

Occlusions between consecutive frames have long posed a significant challenge in optical flow estimation. The inherent ambiguity introduced by occlusions directly violates the brightness constancy constraint and considerably hinders…

Computer Vision and Pattern Recognition · Computer Science 2023-11-30 Shangkun Sun , Jiaming Liu , Thomas H. Li , Huaxia Li , Guoqing Liu , Wei Gao

Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing development of new methods is necessary for accurate…

We overview the ensmallen numerical optimization library, which provides a flexible C++ framework for mathematical optimization of user-supplied objective functions. Many types of objective functions are supported, including general,…

Mathematical Software · Computer Science 2024-02-12 Ryan R. Curtin , Marcus Edel , Rahul Ganesh Prabhu , Suryoday Basak , Zhihao Lou , Conrad Sanderson

Geometric predicates are at the core of many algorithms, such as the construction of Delaunay triangulations, mesh processing and spatial relation tests. These algorithms have applications in scientific computing, geographic information…

Numerical Analysis · Mathematics 2023-08-01 Tinko Bartels , Vissarion Fisikopoulos , Martin Weiser

Recent studies have shown that carefully designed workflows coordinating large language models(LLMs) significantly enhance task-solving capabilities compared to using a single model. While an increasing number of works focus on autonomous…

Artificial Intelligence · Computer Science 2025-09-19 Yi Lin , Lujin Zhao , Yijie Shi

We present mechanoChemML, a machine learning software library for computational materials physics. mechanoChemML is designed to function as an interface between platforms that are widely used for machine learning on one hand, and others for…

Computational Engineering, Finance, and Science · Computer Science 2022-05-03 X. Zhang , G. H. Teichert , Z. Wang , M. Duschenes , S. Srivastava , E. Livingston , J. Holber , M. Faghih Shojaei , A. Sundararajan , K. Garikipati

The flow matching has rapidly become a dominant paradigm in classical generative modeling, offering an efficient way to interpolate between two complex distributions. We extend this idea to the quantum realm and introduce the Quantum Flow…

Quantum Physics · Physics 2026-02-03 Zidong Cui , Pan Zhang , Ying Tang