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The multi-step denoising process in diffusion and Flow Matching models causes major efficiency issues, which motivates research on few-step generation. We present Solution Flow Models (SoFlow), a framework for one-step generation from…

Machine Learning · Computer Science 2026-03-03 Tianze Luo , Haotian Yuan , Zhuang Liu

Feature transformation enhances data representation by deriving new features from the original data. Generative AI offers potential for this task, but faces challenges in stable generation (consistent outputs) and valid generation…

Machine Learning · Computer Science 2025-06-12 Xinyuan Wang , Haoyue Bai , Nanxu Gong , Wangyang Ying , Sixun Dong , Xiquan Cui , Yanjie Fu

Density functional theory (DFT) offers an exceptional balance between accuracy and efficiency, but practical density functional approximations face an unavoidable trade-off among simplicity, accuracy, and transferability. A systematic…

Chemical Physics · Physics 2026-03-25 Jiashu Liang , Martin Head-Gordon

Computational virtual high-throughput screening (VHTS) with density functional theory (DFT) and machine-learning (ML)-acceleration is essential in rapid materials discovery. By necessity, efficient DFT-based workflows are carried out with a…

Materials Science · Physics 2021-06-25 Chenru Duan , Shuxin Chen , Michael G. Taylor , Fang Liu , Heather J. Kulik

Diffusion Bridge and Flow Matching have both demonstrated compelling empirical performance in transformation between arbitrary distributions. However, there remains confusion about which approach is generally preferable, and the substantial…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Kaizhen Zhu , Mokai Pan , Zhechuan Yu , Jingya Wang , Jingyi Yu , Ye Shi

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…

Hardware Architecture · Computer Science 2026-04-13 Jinqi Wen , Tong Xie , Runsheng Wang , Meng Li

Building on the theoretical insights of Part I, this paper, as the second part of the tutorial, dives deeper into data-driven power flow linearization (DPFL), focusing on comprehensive numerical testing. The necessity of these simulations…

Systems and Control · Electrical Eng. & Systems 2024-06-12 Mengshuo Jia , Gabriela Hug , Ning Zhang , Zhaojian Wang , Yi Wang , Chongqing Kang

The emergence of latency-critical AI applications has been supported by the evolution of the edge computing paradigm. However, edge solutions are typically resource-constrained, posing reliability challenges due to heightened contention for…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-05 Shreshth Tuli , Giuliano Casale , Ludmila Cherkasova , Nicholas R. Jennings

Power flow (PF) calculations are the backbone of real-time grid operations, across workflows such as contingency analysis (where repeated PF evaluations assess grid security under outages) and topology optimization (which involves PF-based…

Machine Learning · Computer Science 2026-04-21 Ana K. Rivera , Anvita Bhagavathula , Alvaro Carbonero , Priya Donti

We propose a symbolic execution method for analyzing the safety of software under fault attacks both accurately and efficiently. Fault attacks leverage physically injected hardware faults in an embedded system to break the safety of a…

Software Engineering · Computer Science 2026-04-27 Yuzhou Fang , Chenyu Zhou , Jingbo Wang , Chao Wang

By adopting a divide-and-conquer strategy, subsystem-DFT (sDFT) can dramatically reduce the computational cost of large-scale electronic structure calculations. The key ingredients of sDFT are the nonadditive kinetic energy and…

Materials Science · Physics 2021-08-25 Wenhui Mi , Xuecheng Shao , Alessandro Genova , Davide Ceresoli , Michele Pavanello

We introduce TDFlow, a novel test-driven agentic workflow that frames repository-scale software engineering as a test-resolution task, specifically designed to solve human-written tests. Given a set of tests, TDFlow repeatedly proposes,…

Software Engineering · Computer Science 2026-01-23 Kevin Han , Siddharth Maddikayala , Tim Knappe , Om Patel , Austen Liao , Amir Barati Farimani

Feature Transformation (FT) is a core data-centric AI task that improves feature space quality to advance downstream predictive performance. However, discovering effective transformations remains challenging due to the large space of…

Computation and Language · Computer Science 2026-03-12 Xinyuan Wang , Kunpeng Liu , Arun Vignesh Malarkkan , Yanjie Fu

Despite recent advancements in large language models (LLMs), their performance on complex reasoning problems requiring multi-step thinking and combining various skills is still limited. To address this, we propose a novel framework HDFlow…

Computation and Language · Computer Science 2024-09-27 Wenlin Yao , Haitao Mi , Dong Yu

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…

Computer Vision and Pattern Recognition · Computer Science 2025-06-23 Daikun Liu , Lei Cheng , Teng Wang , changyin Sun

Detecting semantic interference remains a challenge in collaborative software development. Recent lightweight static analysis techniques improve efficiency over SDG-based methods, but they still suffer from a high rate of false positives. A…

Software Engineering · Computer Science 2025-10-03 Victor Lira , Paulo Borba , Rodrigo Bonifácio , Galileu Santos e Matheus barbosa

Computational high-throughput virtual screening is essential for identifying redox-active molecules for sustainable applications such as electrochemical carbon capture. A primary challenge in this approach is the high computational cost…

Chemical Physics · Physics 2026-01-19 Yicheng Chen , Lixue Cheng , Yan Jing , Peichen Zhong

Efficient sampling from un-normalized target distributions is pivotal in scientific computing and machine learning. While neural samplers have demonstrated potential with a special emphasis on sampling efficiency, existing neural implicit…

Machine Learning · Computer Science 2024-11-05 Weijian Luo , Wei Deng

Single Domain Generalization (SDG) aims to train models that maintain consistent performance across diverse scenarios using data from a single source. While latent diffusion models (LDMs) show promise for augmenting limited source data, our…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Hao Li , Yubin Xiao , Ke Liang , Mengzhu Wang , Long Lan , Kenli Li , Xinwang Liu

Generating high-quality time series data has emerged as a critical research topic due to its broad utility in supporting downstream time series mining tasks. A major challenge lies in modeling the intrinsic stochasticity of temporal…

Artificial Intelligence · Computer Science 2025-11-20 He Panjing , Cheng Mingyue , Li Li , Zhang XiaoHan