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Identifying low-energy adsorption geometries on catalytic surfaces is a practical bottleneck for computational heterogeneous catalysis: the difficulty lies not only in the cost of density functional theory (DFT) but in proposing initial…

Machine Learning · Computer Science 2026-02-24 Jiangjie Qiu , Wentao Li , Honghao Chen , Leyi Zhao , Xiaonan Wang

We introduce Gaussian-Flow, a novel point-based approach for fast dynamic scene reconstruction and real-time rendering from both multi-view and monocular videos. In contrast to the prevalent NeRF-based approaches hampered by slow training…

Computer Vision and Pattern Recognition · Computer Science 2023-12-07 Youtian Lin , Zuozhuo Dai , Siyu Zhu , Yao Yao

Modern computational science and engineering applications are being improved by the advances in scientific machine learning. Data-driven methods such as Dynamic Mode Decomposition (DMD) can extract coherent structures from spatio-temporal…

Graphics · Computer Science 2022-08-17 Gabriel F. Barros , Malú Grave , José J. Camata , Alvaro L. G. A. Coutinho

Morphing is a long-standing problem in vision and computer graphics, requiring a time-dependent warping for feature alignment and a blending for smooth interpolation. Recently, multilayer perceptrons (MLPs) have been explored as implicit…

Computer Vision and Pattern Recognition · Computer Science 2025-10-13 Arthur Bizzi , Matias Grynberg , Vitor Matias , Daniel Perazzo , João Paulo Lima , Luiz Velho , Nuno Gonçalves , João Pereira , Guilherme Schardong , Tiago Novello

This paper describes a new method for mitigating the effects of atmospheric distortion on observed sequences that include large moving objects. In order to provide accurate detail from objects behind the distorting layer, we solve the…

Computer Vision and Pattern Recognition · Computer Science 2018-08-13 N. Anantrasirichai , Alin Achim , David Bull

We introduce SurfFlow, an open-source high-throughput workflow package designed for automated first-principles calculations of surface energies in arbitrary crystals. Our package offers a comprehensive solution capable of handling…

Materials Science · Physics 2023-11-07 Firat Yalcin , Michael Wolloch

In Data Assimilation, observations are fused with simulations to obtain an accurate estimate of the state and parameters for a given physical system. Combining data with a model, however, while accurately estimating uncertainty, is…

Computational Engineering, Finance, and Science · Computer Science 2024-06-05 Nikolaj T. Mücke , Sander M. Bohté , Cornelis W. Oosterlee

The Continuous Wavelet Transform (CWT) is an effective tool for feature extraction in acoustic recognition using Convolutional Neural Networks (CNNs), particularly when applied to non-stationary audio. However, its high computational cost…

Audio and Speech Processing · Electrical Eng. & Systems 2025-12-01 Dang Thoai Phan , Tuan Anh Huynh , Van Tuan Pham , Cao Minh Tran , Van Thuan Mai , Ngoc Quy Tran

Accurate and real-time radio map (RM) generation is crucial for next-generation wireless systems, yet diffusion-based approaches often suffer from large model sizes, slow iterative denoising, and high inference latency, which hinder…

Computer Vision and Pattern Recognition · Computer Science 2025-10-13 Haozhe Jia , Wenshuo Chen , Xiucheng Wang , Nan Cheng , Hongbo Zhang , Kuimou Yu , Songning Lai , Nanjian Jia , Bowen Tian , Hongru Xiao , Yutao Yue

Generating human motion with precise spatial control is a challenging problem. Existing approaches often require task-specific training or slow optimization, and enforcing hard constraints frequently disrupts motion naturalness. Building on…

Computer Vision and Pattern Recognition · Computer Science 2026-02-27 Akihisa Watanabe , Qing Yu , Edgar Simo-Serra , Kent Fujiwara

Scientific simulations and experimental measurements produce vast amounts of spatio-temporal data, yet extracting meaningful insights remains challenging due to high dimensionality, complex structures, and missing information. Traditional…

Machine Learning · Computer Science 2025-12-01 Hamid Gadirov

3D Gaussian Splatting has emerged as a powerful approach in novel view synthesis, delivering rapid training and rendering but at the cost of an ever-growing set of Gaussian primitives that strains memory and bandwidth. We introduce…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Hung Nguyen , An Le , Runfa Li , Truong Nguyen

Mass spectrometry is a powerful and widely used tool for identifying molecular structures due to its sensitivity and ability to profile complex samples. However, translating spectra into full molecular structures is a difficult,…

Machine Learning · Computer Science 2026-03-13 Ghaith Mqawass , Tuan Le , Fabian Theis , Djork-Arné Clevert

Point clouds are naturally sparse, while image pixels are dense. The inconsistency limits feature fusion from both modalities for point-wise scene flow estimation. Previous methods rarely predict scene flow from the entire point clouds of…

Computer Vision and Pattern Recognition · Computer Science 2023-08-10 Chensheng Peng , Guangming Wang , Xian Wan Lo , Xinrui Wu , Chenfeng Xu , Masayoshi Tomizuka , Wei Zhan , Hesheng Wang

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

Fast and accurate generation of molecular conformers is desired for downstream computational chemistry and drug discovery tasks. Currently, training and sampling state-of-the-art diffusion or flow-based models for conformer generation…

Vector quantization (VQ) with autoregressive (AR) token modeling is a widely adopted and highly competitive paradigm for time-series generation. However, such models are fundamentally limited by exposure bias: during inference, errors can…

Artificial Intelligence · Computer Science 2026-05-12 Wei Li , Shibo Feng , Pengcheng Wu , Xingyu Gao , Min Wu , Peilin Zhao

Fluid cosmologies are consistent with the generally accepted observational evidence during intermediate and late times, and they need not have singular behavior in primordial times. A general form for fluid cosmology consistent with…

General Relativity and Quantum Cosmology · Physics 2009-01-20 James Lindesay

Despite the importance of fundamental parameters (traffic flow, density and speed) to describe the traffic behavior, there still are some difficulties in order to obtain and store this information. Furthermore, given the type of study or…

Signal Processing · Electrical Eng. & Systems 2020-06-16 E. R. Ribeiro , A. L. Cunha

Normalizing flows are deep generative models that enable efficient likelihood estimation and sampling through invertible transformations. A key challenge is to design linear layers that enhance expressiveness while maintaining efficient…

Machine Learning · Computer Science 2025-11-18 Xuchen Feng , Siyu Liao