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We introduce a termination method for the algebraic graph transformation framework PBPO+, in which we weigh objects by summing a class of weighted morphisms targeting them. The method is well-defined in rm-adhesive quasitoposes (which…

Logic in Computer Science · Computer Science 2024-11-13 Roy Overbeek , Jörg Endrullis

A lot of recent progress has been made in ultra low-bit quantization, promising significant improvements in latency, memory footprint and energy consumption on edge devices. Quantization methods such as Learned Step Size Quantization can…

We introduce a novel encoder-decoder architecture to embed functional processes into latent vector spaces. This embedding can then be decoded to sample the encoded functions over any arbitrary domain. This autoencoder generalizes the…

Machine Learning · Computer Science 2018-12-14 Marcel Nassar , Xin Wang , Evren Tumer

Modern supercomputers are increasingly relying on Graphic Processing Units (GPUs) and other accelerators to achieve exa-scale performance at reasonable energy usage. The challenge of exploiting these accelerators is the incompatibility…

Computational Physics · Physics 2025-08-25 M. Cianciosa , D. Batchelor , W. Elwasif

Advances in deep learning have greatly improved structure prediction of molecules. However, many macroscopic observations that are important for real-world applications are not functions of a single molecular structure, but rather…

Abstract: In our paper the new algorithm enhanced multi gradient Dilution Preparation (EMDP) is discussed. This new algorithm is reported with a lab on chip or digital Microfluidic biochip to operate multiple operation on a tiny chip. We…

Emerging Technologies · Computer Science 2021-10-04 Meenakshi Sanyal , Somenath Chakraborty

Many real-world optimization models contain exploitable sparsity and block structure, but this structure is often obscured in algebraic form, limiting the effectiveness of modern parallel algorithms. We propose an automatic pipeline that…

Optimization and Control · Mathematics 2026-03-23 Kaizhao Sun , Baihao Wu , Kun Yuan , Wotao Yin

Graph algorithms have wide applicablity to a variety of domains and are often used on massive datasets. Recent standardization efforts such as the GraphBLAS specify a set of key computational kernels that hardware and software developers…

Databases · Computer Science 2016-12-13 Timothy Weale , Vijay Gadepally , Dylan Hutchison , Jeremy Kepner

We present FabSim, a toolkit developed to simplify a range of computational tasks for researchers in diverse disciplines. FabSim is flexible, adaptable, and allows users to perform a wide range of tasks with ease. It also provides a…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-09-21 Derek Groen , Agastya Bhati , James Suter , James Hetherington , Stefan Zasada , Peter Coveney

Graph-based patterns are extensively employed and favored by practitioners within industrial companies due to their capacity to represent the behavioral attributes and topological relationships among users, thereby offering enhanced…

Machine Learning · Computer Science 2024-11-12 Sheng Tian , Xintan Zeng , Yifei Hu , Baokun Wang , Yongchao Liu , Yue Jin , Changhua Meng , Chuntao Hong , Tianyi Zhang , Weiqiang Wang

Graph Neural Networks (GNNs) are emerging ML models to analyze graph-structure data. Graph Neural Network (GNN) execution involves both compute-intensive and memory-intensive kernels, the latter dominates the total time, being significantly…

Ordinary Differential Equations (ODE) are used throughout science where the capture of rates of change in states is sought. While both pieces of commercial and open software exist to study such systems, their efficient and accurate usage…

Mathematical Software · Computer Science 2018-03-20 Edwin Tye , Tom Finnie , Ian Hall , Steve Leach

Graphs are a representation of structured data that captures the relationships between sets of objects. With the ubiquity of available network data, there is increasing industrial and academic need to quickly analyze graphs with billions of…

Machine Learning · Computer Science 2023-07-28 Brandon Mayer , Anton Tsitsulin , Hendrik Fichtenberger , Jonathan Halcrow , Bryan Perozzi

Optimizing chemical properties is a challenging task due to the vastness and complexity of chemical space. Here, we present a generative energy-based architecture for implicit chemical property optimization, designed to efficiently generate…

Biomolecules · Quantitative Biology 2025-06-19 Luca Miglior , Lorenzo Simone , Marco Podda , Davide Bacciu

Reconstructing a map of neuronal connectivity is a critical challenge in contemporary neuroscience. Recent advances in high-throughput serial section electron microscopy (EM) have produced massive 3D image volumes of nanoscale brain tissue…

Identifying potential drug targets using metabolic modeling requires integrating multiple modeling methods and heterogenous biological datasets, which can be challenging without sophisticated tools. We developed COMO, a user-friendly…

The devices designed for the Internet-of-Things encompass a large variety of distinct processor architectures, forming a highly heterogeneous zoo. In order to tackle this, we employ a simulator to estimate the performance of the…

Hardware Architecture · Computer Science 2024-03-13 Cristian Ramírez , Adrián Castelló , Héctor Martínez , Enrique S. Quintana-Ortí

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an…

Machine Learning · Computer Science 2022-02-28 Federico Errica

Graph neural networks (GNNs) have shown considerable promise in computational chemistry. However, the limited availability of molecular data raises concerns regarding GNNs' ability to effectively capture the fundamental principles of…

Machine Learning · Computer Science 2025-03-12 Junyi An , Chao Qu , Yun-Fei Shi , XinHao Liu , Qianwei Tang , Fenglei Cao , Yuan Qi

Graphs are a powerful tool for representing and analyzing unstructured, non-Euclidean data ubiquitous in the healthcare domain. Two prominent examples are molecule property prediction and brain connectome analysis. Importantly, recent works…

Machine Learning · Computer Science 2022-04-04 Kamilia Mullakaeva , Luca Cosmo , Anees Kazi , Seyed-Ahmad Ahmadi , Nassir Navab , Michael M. Bronstein