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We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-substrate interactions onto precomputed spatial grids with…

Chemical Physics · Physics 2025-08-22 Indranil Mal , Milan Kočí , Paolo Nicolini , Prokop Hapala

Energy-efficient real-time task scheduling has been actively explored in the past decade. Different from the past work, this paper considers schedulability conditions for stochastic real-time tasks. A schedulability condition is first…

Operating Systems · Computer Science 2008-04-07 Vandy Berten , Chi-Ju Chang , Tei-Wei Kuo

Recently, hybrid models have emerged that combine microscopic and mesoscopic regimes in a single stochastic reaction-diffusion simulation. Microscopic simulations track every individual molecule and are generally more accurate. Mesoscopic…

Emerging Technologies · Computer Science 2015-11-20 Adam Noel , Karen C. Cheung , Robert Schober

Diffusion models can learn rich representations during data generation, showing potential for Self-Supervised Learning (SSL), but they face a trade-off between generative quality and discriminative performance. Their iterative sampling also…

Machine Learning · Computer Science 2025-12-24 Kosuke Ukita , Tsuyoshi Okita

We propose an axiomatic generic framework for modelling weak memory. We show how to instantiate this framework for SC, TSO, C++ restricted to release-acquire atomics, and Power. For Power, we compare our model to a preceding operational…

Logic in Computer Science · Computer Science 2014-01-10 Jade Alglave , Luc Maranget , Michael Tautschnig

We introduce a new AI-ready computational pathology dataset containing restained and co-registered digitized images from eight head-and-neck squamous cell carcinoma patients. Specifically, the same tumor sections were stained with the…

Image and Video Processing · Electrical Eng. & Systems 2023-05-29 Parmida Ghahremani , Joseph Marino , Juan Hernandez-Prera , Janis V. de la Iglesia , Robbert JC Slebos , Christine H. Chung , Saad Nadeem

We propose to learn the time-varying stochastic computational resource usage of software as a graph structured Schr\"odinger bridge problem. In general, learning the computational resource usage from data is challenging because resources…

Optimization and Control · Mathematics 2025-05-21 Georgiy A. Bondar , Robert Gifford , Linh Thi Xuan Phan , Abhishek Halder

While multifidelity modeling provides a cost-effective way to conduct uncertainty quantification with computationally expensive models, much greater efficiency can be achieved by adaptively deciding the number of required high-fidelity (HF)…

Federated learning (FL) coordinates multiple devices to collaboratively train a shared model while preserving data privacy. However, large memory footprint and high energy consumption during the training process excludes the low-end devices…

Machine Learning · Computer Science 2024-09-12 Shichen Zhan , Yebo Wu , Chunlin Tian , Yan Zhao , Li Li

We propose a construction for joint feature learning and clustering of multichannel extracellular electrophysiological data across multiple recording periods for action potential detection and discrimination ("spike sorting"). Our…

Modern big data workflows are characterized by computationally intensive kernels. The simulated results are often combined with knowledge extracted from AI models to ultimately support decision-making. These energy-hungry workflows are…

The analysis of data from multiple experiments, such as observations of several individuals, is commonly approached using mixed-effects models, which account for variation between individuals through hierarchical representations. This makes…

Computation · Statistics 2026-03-05 Henrik Häggström , Sebastian Persson , Marija Cvijovic , Umberto Picchini

In healthcare applications, temporal variables that encode movement, health status and longitudinal patient evolution are often accompanied by rich structured information such as demographics, diagnostics and medical exam data. However,…

Many computer systems for calculating the proper organization of memory are among the most critical issues. Using a tier cache memory (along with branching prediction) is an effective means of increasing modern multi-core processors'…

Networking and Internet Architecture · Computer Science 2021-05-21 Mohamed A. Hamada , Abdelrahman Abdallah

A vast amount of instruction tuning data is crucial for the impressive performance of Large Multimodal Models (LMMs), but the associated computational costs and data collection demands during supervised fine-tuning make it impractical for…

Machine Learning · Computer Science 2025-07-22 Haiyang Guo , Fanhu Zeng , Fei Zhu , Wenzhuo Liu , Da-Han Wang , Jian Xu , Xu-Yao Zhang , Cheng-Lin Liu

We proposed a data-driven approach to dissect multivariate time series in order to discover multiple phases underlying dynamics of complex systems. This computing approach is developed as a multiple-dimension version of Hierarchical Factor…

Methodology · Statistics 2021-03-09 Xiaodong Wang , Fushing Hsieh

Computational systems biology has provided plenty of insights into cell biology. Early on, the focus was on reaction networks between molecular species. Spatial distribution only began to be considered mostly within the last decade.…

Quantitative Methods · Quantitative Biology 2016-05-13 Atsushi Miyauchi , Kazunari Iwamoto , Satya Nanda Vel Arjunan , Koichi Takahashi

Diffusion Transformers (DiT) are powerful generative models but remain computationally intensive due to their iterative structure and deep transformer stacks. To alleviate this inefficiency, we propose \textbf{FastCache}, a…

Machine Learning · Computer Science 2026-03-30 Dong Liu , Yanxuan Yu , Jiayi Zhang , Yifan Li , Ben Lengerich , Ying Nian Wu

Spatially and temporally varying coefficient (STVC) models are currently attracting attention as a flexible tool to explore the spatio-temporal patterns in regression coefficients. However, these models often struggle with balancing…

Methodology · Statistics 2025-01-07 Daisuke Murakami , Shinichiro Shirota , Seiji Kajita , Mami Kajita

Developing predictive modelling solutions for risk estimation is extremely challenging in health-care informatics. Risk estimation involves integration of heterogeneous clinical sources having different representation from different…

Machine Learning · Computer Science 2016-09-30 Priyanka H U , Vivek R
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