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Constrained density functional theory (cDFT) is a versatile electronic structure method that enables ground-state calculations to be performed subject to physical constraints. It thereby broadens their applicability and utility. Automated…

其他凝聚态物理 · 物理学 2016-08-03 David D. O'Regan , Gilberto Teobaldi

Diffusion models have achieved remarkable success in generative tasks but suffer from high computational costs due to their iterative sampling process and quadratic attention costs. Existing training-free acceleration strategies that reduce…

机器学习 · 计算机科学 2025-07-24 Ting Jiang , Yixiao Wang , Hancheng Ye , Zishan Shao , Jingwei Sun , Jingyang Zhang , Zekai Chen , Jianyi Zhang , Yiran Chen , Hai Li

Technical Debt (TD) refers to non-optimal decisions made in software projects that may lead to short-term benefits, but potentially harm the system's maintenance in the long-term. Technical debt management (TDM) refers to a set of…

软件工程 · 计算机科学 2023-12-11 João Paulo Biazotto , Daniel Feitosa , Paris Avgeriou , Elisa Yumi Nakagawa

Site density functional theory (SDFT) provides a rigorous framework for statistical mechanics analysis of inhomogeneous molecular liquids. The key defining feature of these systems is the presence of two very distinct interactions scales…

统计力学 · 物理学 2020-11-24 Gennady N. Chuev , Marina V. Fedotova , Marat Valiev

Diffusion models have recently emerged as effective generative frameworks for trajectory optimization, capable of producing high-quality and diverse solutions. However, training these models in a purely data-driven manner without explicit…

机器人学 · 计算机科学 2025-04-02 Anjian Li , Ryne Beeson

Deep transfer learning (DTL) is a fundamental method in the field of Intelligent Fault Detection (IFD). It aims to mitigate the degradation of method performance that arises from the discrepancies in data distribution between training set…

机器学习 · 计算机科学 2024-02-21 Zhongzhi Li , Jingqi Tu , Jiacheng Zhu , Jianliang Ai , Yiqun Dong

The increasing use of microfluidics in industrial, biomedical, and clinical applications requires a more and more precise control of the microfluidic flows and suspended particles or cells. This leads to higher demands in three-dimensional…

流体动力学 · 物理学 2020-11-10 Massimiliano Rossi , Rune Barnkob

The emergence of diffusion models has significantly advanced generative AI, improving the quality, realism, and creativity of image and video generation. Among them, Stable Diffusion (StableDiff) stands out as a key model for text-to-image…

硬件体系结构 · 计算机科学 2025-07-03 Zhican Wang , Guanghui He , Hongxiang Fan

Transformer models serve as the backbone of many state-ofthe-art language models, and most use the scaled dot-product attention (SDPA) mechanism to capture relationships between tokens. However, the straightforward implementation of SDPA…

硬件体系结构 · 计算机科学 2024-08-09 Gina Sohn , Nathan Zhang , Kunle Olukotun

Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under external time-dependent perturbations such as laser fields. In this work, we present a machine learning approach to accelerate…

材料科学 · 物理学 2025-12-02 Karan Shah , Attila Cangi

Accurately detecting student behavior from classroom videos is beneficial for analyzing their classroom status and improving teaching efficiency. However, low accuracy in student classroom behavior detection is a prevalent issue. To address…

计算机视觉与模式识别 · 计算机科学 2024-09-10 Fan Yang

Spiking Neural Networks (SNN) are an emerging computation model, which uses event-driven activation and bio-inspired learning algorithms. SNN-based machine-learning programs are typically executed on tile- based neuromorphic hardware…

神经与进化计算 · 计算机科学 2021-08-05 Shihao Song , Harry Chong , Adarsha Balaji , Anup Das , James Shackleford , Nagarajan Kandasamy

Range-separated hybrid functionals (RSH) with ``ionization energy'' and/or ``optimal tuning'' of the screening parameter have proven to be among the most practical and accurate approaches for describing excited-state properties across a…

The Internet of Things generates massive data streams, with edge computing emerging as a key enabler for online IoT applications and 5G networks. Edge solutions facilitate real-time machine learning inference, but also require continuous…

机器学习 · 计算机科学 2025-12-09 Afonso Lourenço , João Rodrigo , João Gama , Goreti Marreiros

Given a model trained on source data, Test-Time Adaptation (TTA) enables adaptation and inference in test data streams with domain shifts from the source. Current methods predominantly optimize the model for each incoming test data batch…

机器学习 · 计算机科学 2024-07-18 Ziqiang Wang , Zhixiang Chi , Yanan Wu , Li Gu , Zhi Liu , Konstantinos Plataniotis , Yang Wang

Small target detection is inherently challenging due to the minimal size, lack of distinctive features, and the presence of complex backgrounds. Heavy noise further complicates the task by both obscuring and imitating the target appearance.…

信号处理 · 电气工程与系统科学 2025-12-15 Nicholas Bampton , Tian J. Ma , Minh N. Do

Performance analysis is a critical step in the oft-repeated, iterative process of performance tuning of parallel programs. Per-process, per-thread traces (detailed logs of events with timestamps) enable in-depth analysis of parallel program…

分布式、并行与集群计算 · 计算机科学 2024-05-15 Abhinav Bhatele , Rakrish Dhakal , Alexander Movsesyan , Aditya K. Ranjan , Onur Cankur

Unlike covalent two-dimensional (2D) materials like graphene, 2D metals have non-layered structures due to their non-directional, metallic bonding. While experiments on 2D metals are still scarce and challenging, density-functional theory…

材料科学 · 物理学 2023-01-06 Kameyab Raza Abidi , Pekka Koskinen

Discriminative correlation filter (DCF) based trackers have recently achieved excellent performance with great computational efficiency. However, DCF based trackers suffer boundary effects, which result in unstable performance in…

计算机视觉与模式识别 · 计算机科学 2020-11-17 Taihang Dong , Sheng Zhong

Feature Transformation (FT) crafts new features from original ones via mathematical operations to enhance dataset expressiveness for downstream models. However, existing FT methods exhibit critical limitations: discrete search struggles…

机器学习 · 计算机科学 2025-05-22 Nanxu Gong , Zijun Li , Sixun Dong , Haoyue Bai , Wangyang Ying , Xinyuan Wang , Yanjie Fu
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