中文
相关论文

相关论文: AdsorbFlow: energy-conditioned flow matching enabl…

200 篇论文

Among these, D-peptides are resistant to proteolysis, exhibit greater in vivo stability, and are easier to synthesize. Despite advances in deep learning for peptide discovery, the scarcity of natural D-protein data limits the transfer of…

计算工程、金融与科学 · 计算机科学 2026-05-04 Fang Wu , Shuting Jin , Xiangru Tang , Junlin Xu , Mark Gerstein , James Zou

Diffusion model deployment has been suffering from high energy consumption and inference latency despite its superior performance in visual generation tasks. Dynamic voltage and frequency scaling (DVFS) offers a promising solution to…

硬件体系结构 · 计算机科学 2026-04-13 Jinqi Wen , Tong Xie , Runsheng Wang , Meng Li

The adsorption energy serves as a crucial descriptor for the large-scale screening of catalysts. Nevertheless, the limited distribution of training data for the extensively utilised machine learning interatomic potential (MLIP),…

机器学习 · 计算机科学 2025-12-18 Songze Huo , Xiao-Ming Cao

Dense pixel matching problems such as optical flow and disparity estimation are among the most challenging tasks in computer vision. Recently, several deep learning methods designed for these problems have been successful. A sufficiently…

计算机视觉与模式识别 · 计算机科学 2023-11-02 Ali Salehi , Madhusudhanan Balasubramanian

The large number of possible structures of metal-organic frameworks (MOFs) and their limitless potential applications has motivated molecular modelers and researchers to develop methods and models to efficiently assess MOF performance. Some…

材料科学 · 物理学 2021-10-04 Krishnendu Mukherjee , Alexander W. Dowling , Yamil Colón

Flow matching has emerged as a promising generative approach that addresses the lengthy sampling times associated with state-of-the-art diffusion models and enables a more flexible trajectory design, while maintaining high-quality image…

计算机视觉与模式识别 · 计算机科学 2025-11-27 Arnela Hadzic , Franz Thaler , Lea Bogensperger , Simon Johannes Joham , Martin Urschler

Recent learning-based methods for event-based optical flow estimation utilize cost volumes for pixel matching but suffer from redundant computations and limited scalability to higher resolutions for flow refinement. In this work, we take…

计算机视觉与模式识别 · 计算机科学 2025-06-23 Daikun Liu , Lei Cheng , Teng Wang , changyin Sun

Flow matching has recently emerged as a promising alternative to diffusion-based generative models, offering faster sampling and simpler training by learning continuous flows governed by ordinary differential equations. Despite growing…

机器学习 · 计算机科学 2025-12-02 Mudit Gaur , Prashant Trivedi , Shuchin Aeron , Amrit Singh Bedi , George K. Atia , Vaneet Aggarwal

This paper studies optical flow estimation, a critical task in motion analysis with applications in autonomous navigation, action recognition, and film production. Traditional optical flow methods require consecutive frames, which are often…

计算机视觉与模式识别 · 计算机科学 2025-06-12 Mo Zhou , Jianwei Wang , Xuanmeng Zhang , Dylan Campbell , Kai Wang , Long Yuan , Wenjie Zhang , Xuemin Lin

Dense optical flow estimation is challenging when there are large displacements in a scene with heterogeneous motion dynamics, occlusion, and scene homogeneity. Traditional approaches to handle these challenges include hierarchical and…

计算机视觉与模式识别 · 计算机科学 2023-11-02 Ali Salehi , Madhusudhanan Balasubramanian

Limited by inference latency, existing robot manipulation policies lack sufficient real-time interaction capability with the environment. Although faster generation methods such as flow matching are gradually replacing diffusion methods,…

机器人学 · 计算机科学 2026-02-17 Zhenchen Dong , Jinna Fu , Jiaming Wu , Shengyuan Yu , Fulin Chen , Yide Liu

In image restoration, single-step discriminative mappings often lack fine details via expectation learning, whereas generative paradigms suffer from inefficient multi-step sampling and noise-residual coupling. To address this dilemma, we…

计算机视觉与模式识别 · 计算机科学 2026-04-22 Zihao Fan , Xin Lu , Jie Xiao , Dong Li , Jie Huang , Xueyang Fu

Driving planning is a critical component of end-to-end (E2E) autonomous driving. However, prevailing Imitative E2E Planners often suffer from multimodal trajectory mode collapse, failing to produce diverse trajectory proposals. Meanwhile,…

计算机视觉与模式识别 · 计算机科学 2026-02-24 Lin Liu , Caiyan Jia , Guanyi Yu , Ziying Song , JunQiao Li , Feiyang Jia , Peiliang Wu , Xiaoshuai Hao , Yadan Luo

Accurate charge densities are central to electronic-structure theory, but computing charge-state-dependent densities with density functional theory remains too expensive for large-scale screening and defect workflows. We present ChargeFlow,…

材料科学 · 物理学 2026-03-26 Tri Minh Nguyen , Sherif Abdulkader Tawfik , Truyen Tran , Svetha Venkatesh

The conversion of $\mathrm{CO_2}$ to value-added compounds is an important part of the effort to store and reuse atmospheric $\mathrm{CO_2}$ emissions. Here we focus on $\mathrm{CO_2}$ hydrogenation over so-called inverse catalysts:…

Decentralized federated learning (DFL) enables edge devices to collaboratively train models through local training and fully decentralized device-to-device (D2D) model exchanges. However, these energy-intensive operations often rapidly…

机器学习 · 计算机科学 2026-02-17 Kai Zhang , Xuanyu Cao , Khaled B. Letaief

Designing metal-organic frameworks (MOFs) with novel chemistries is a longstanding challenge due to their large combinatorial space and complex 3D arrangements of the building blocks. While recent deep generative models have enabled…

生物大分子 · 定量生物学 2026-02-05 Nayoung Kim , Seongsu Kim , Sungsoo Ahn

Diffusion models (DMs) have become the dominant paradigm of generative modeling in a variety of domains by learning stochastic processes from noise to data. Recently, diffusion denoising bridge models (DDBMs), a new formulation of…

机器学习 · 计算机科学 2024-11-01 Guande He , Kaiwen Zheng , Jianfei Chen , Fan Bao , Jun Zhu

We introduce $\texttt{PairFlow}$, a lightweight preprocessing step for training Discrete Flow Models (DFMs) to achieve few-step sampling without requiring a pretrained teacher. DFMs have recently emerged as a new class of generative models…

机器学习 · 计算机科学 2026-05-26 Mingue Park , Jisung Hwang , Seungwoo Yoo , Kyeongmin Yeo , Minhyuk Sung

Machine learning has demonstrated remarkable promise for solving the trajectory generation problem and in paving the way for online use of trajectory optimization for resource-constrained spacecraft. However, a key shortcoming in current…

机器人学 · 计算机科学 2025-01-03 Julia Briden , Breanna Johnson , Richard Linares , Abhishek Cauligi