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Diffusion models have revolutionized generative tasks through high-fidelity outputs, yet flow matching (FM) offers faster inference and empirical performance gains. However, current foundation FM models are computationally prohibitive for…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Johannes Schusterbauer , Ming Gui , Frank Fundel , Björn Ommer

We propose a framework using normalizing-flow based models, SELF-Referencing Embedded Strings, and multi-objective optimization that efficiently generates small molecules. With an initial training set of only 100 small molecules, FastFlows…

Chemical Physics · Physics 2022-02-01 Nathan C. Frey , Vijay Gadepally , Bharath Ramsundar

The computational requirements for training deep neural networks (DNNs) have grown to the point that it is now standard practice to parallelize training. Existing deep learning systems commonly use data or model parallelism, but…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-23 Zhihao Jia , Matei Zaharia , Alex Aiken

Modern large language model-based reasoning systems frequently recompute similar reasoning steps across tasks, wasting computational resources, inflating inference latency, and limiting reproducibility. These inefficiencies underscore the…

Artificial Intelligence · Computer Science 2025-11-21 Yash Raj Singh

Remarkable progress has been made on automated problem solving through societies of agents based on large language models (LLMs). Existing LLM-based multi-agent systems can already solve simple dialogue tasks. Solutions to more complex…

We present MadFlow, a first general multi-purpose framework for Monte Carlo (MC) event simulation of particle physics processes designed to take full advantage of hardware accelerators, in particular, graphics processing units (GPUs). The…

Computational Physics · Physics 2021-08-18 Stefano Carrazza , Juan Cruz-Martinez , Marco Rossi , Marco Zaro

Pipeline is a fundamental parallel programming pattern. Mainstream pipeline programming frameworks count on data abstractions to perform pipeline scheduling. This design is convenient for data-centric pipeline applications but inefficient…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-03 Cheng-Hsiang Chiu , Tsung-Wei Huang , Zizheng Guo , Yibo Lin

Neural networks have become a popular tool in predictive modelling, more commonly associated with machine learning and artificial intelligence than with statistics. Generalised Additive Models (GAMs) are flexible non-linear statistical…

Machine Learning · Statistics 2026-01-06 Jessica Doohan , Lucas Kook , Kevin Burke

The growing volume of data in modern applications has led to significant computational costs in conventional processor-centric systems. Processing-in-memory (PIM) architectures alleviate these costs by moving computation closer to memory,…

Hardware Architecture · Computer Science 2025-04-23 Geraldo F. Oliveira , Alain Kohli , David Novo , Ataberk Olgun , A. Giray Yaglikci , Saugata Ghose , Juan Gómez-Luna , Onur Mutlu

We build on a fine-grained analysis of session-based interaction as provided by the linear logic typing disciplines to introduce the SAM, an abstract machine for mechanically executing session-typed processes. A remarkable feature of the…

Programming Languages · Computer Science 2024-01-22 Luís Caires , Bernardo Toninho

Large Language Models (LLMs) have achieved state-of-the-art performance on a broad range of Natural Language Processing (NLP) tasks, including document processing and code generation. Autoregressive Language Models (ARMs), which generate…

Estimating three-dimensional conformations of a molecular graph allows insight into the molecule's biological and chemical functions. Fast generation of valid conformations is thus central to molecular modeling. Recent advances in…

Machine Learning · Computer Science 2025-02-18 Sohil Atul Shah , Vladlen Koltun

Parallel replica dynamics is a method for accelerating the computation of processes characterized by a sequence of infrequent events. In this work, the processes are governed by the overdamped Langevin equation. Such processes spend much of…

Numerical Analysis · Mathematics 2012-09-04 Gideon Simpson , Mitchell Luskin

Graph algorithms and techniques are increasingly being used in scientific and commercial applications to express relations and explore large data sets. Although conventional or commodity computer architectures, like CPU or GPU, can compute…

Hardware Architecture · Computer Science 2017-07-03 Michel A. Kinsy , Rashmi S. Agrawal , Hien D. Nguyen

In this paper, the author aims to establish a mathematical model for a mimic computer. To this end, a novel automaton is proposed. First, a one-dimensional cellular automaton is used for expressing some dynamic changes in the structure of a…

Formal Languages and Automata Theory · Computer Science 2017-03-07 Weijun Zhu

The plasma edge flow, situated at the intricate boundary between plasma and neutral particles, plays a pivotal role in the design of nuclear fusion devices such as divertors and pumps. Traditional numerical simulation methods, such as the…

Computational Physics · Physics 2024-11-14 Yifan Wen , Yanbing Zhang , Lei Wu

We develop the first theory of control-flow graphs from first principles, and use it to create an algorithm for automatically synthesizing many variants of control-flow graph generators from a language's operational semantics. Our approach…

Programming Languages · Computer Science 2022-07-25 James Koppel , Jackson Kearl , Armando Solar-Lezama

Several methods exist today to accelerate Machine Learning(ML) or Deep-Learning(DL) model performance for training and inference. However, modern techniques that rely on various graph and operator parallelism methodologies rely on search…

Machine Learning · Computer Science 2023-08-23 Srinjoy Das , Lawrence Rauchwerger

In the last two decades, the continuous increase of computational power has produced an overwhelming flow of data which has called for a paradigm shift in the computing architecture and large scale data processing mechanisms. MapReduce is a…

Databases · Computer Science 2013-02-14 Sherif Sakr , Anna Liu , Ayman G. Fayoumi

The generalized method to have a parallel solution to a computational problem, is to find a way to use Divide & Conquer paradigm in order to have processors acting on its own data and therefore all can be scheduled in parallel. MapReduce is…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-10-13 Julián Aráoz , Cristina Zoltan