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Neural Networks (NNs) are effective models for refining the accuracy of molecular dynamics, opening up new fields of application. Typically trained bottom-up, atomistic NN potential models can reach first-principle accuracy, while…

Chemical Physics · Physics 2025-05-19 Paul Fuchs , Stephan Thaler , Sebastien Röcken , Julija Zavadlav

Although recent scaling up approaches to training deep neural networks have proven to be effective, the computational intensity of large and complex models, as well as the availability of large-scale datasets, require deep learning…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-21 Bita Hasheminezhad , Shahrzad Shirzad , Nanmiao Wu , Patrick Diehl , Hannes Schulz , Hartmut Kaiser

We introduce the Particle Convolution Network (PCN), a new type of equivariant neural network layer suitable for many tasks in jet physics. The particle convolution layer can be viewed as an extension of Deep Sets and Energy Flow network…

High Energy Physics - Phenomenology · Physics 2021-07-08 Chase Shimmin

This project aims to advance differentiable fluid dynamics for hypersonic coupled flow over porous media, demonstrating the potential of automatic differentiation (AD)-based optimization for end-to-end solutions. Leveraging AD efficiently…

Fluid Dynamics · Physics 2024-07-01 Wenkang Wang , Xuanwei Zhang , Deniz Bezgin , Aaron Buhendwa , Xu Chu , Bernhard Weigand

We propose a software framework based on the ideas of the Learning-Compression (LC) algorithm, that allows a user to compress a neural network or other machine learning model using different compression schemes with minimal effort.…

Machine Learning · Computer Science 2020-05-19 Yerlan Idelbayev , Miguel Á. Carreira-Perpiñán

Nonlinear Model Predictive Control (NMPC) is a general and flexible control approach, used in many industrial contexts, and is based on the online solution of a nonlinear optimization problem. This operation requires in general a high…

Systems and Control · Electrical Eng. & Systems 2024-11-06 Carlo Novara , Mattia Boggio , Deborah Volpe

The increasing heterogeneity of high-performance computing (HPC) systems and the transition to exascale architectures require systematic and reproducible performance evaluation across diverse workloads. While continuous integration (CI)…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-24 Jayesh Badwaik , Mathis Bode , Michal Rajski , Andreas Herten

Neuroscience and Artificial Intelligence (AI) have progressed in tandem, each contributing to our understanding of the brain, and inspiring recent developments in biologically-plausible neural networks (NNs) and learning rules. Predictive…

Neural and Evolutionary Computing · Computer Science 2024-06-24 Ehsan Ganjidoost , Mallory Snow , Jeff Orchard

Predictive coding networks (PCNs) are an influential model for information processing in the brain. They have appealing theoretical interpretations and offer a single mechanism that accounts for diverse perceptual phenomena of the brain. On…

Machine Learning · Computer Science 2021-03-08 Tommaso Salvatori , Yuhang Song , Thomas Lukasiewicz , Rafal Bogacz , Zhenghua Xu

This paper proposes an adaptive neural-compilation framework to address the problem of efficient program learning. Traditional code optimisation strategies used in compilers are based on applying pre-specified set of transformations that…

Artificial Intelligence · Computer Science 2016-05-27 Rudy Bunel , Alban Desmaison , Pushmeet Kohli , Philip H. S. Torr , M. Pawan Kumar

Deep neural networks have achieved impressive supervised classification performance in many tasks including image recognition, speech recognition, and sequence to sequence learning. However, this success has not been translated to…

Machine Learning · Computer Science 2016-08-05 Arvind Neelakantan , Quoc V. Le , Ilya Sutskever

The development of deep learning software libraries enabled significant progress in the field by allowing users to focus on modeling, while letting the library to take care of the tedious and time-consuming task of optimizing execution for…

Machine Learning · Computer Science 2023-10-17 Miloš Stanojević , Laurent Sartran

Model Predictive Controllers (MPC) are widely used for controlling cyber-physical systems. It is an iterative process of optimizing the prediction of the future states of a robot over a fixed time horizon. MPCs are effective in practice,…

Robotics · Computer Science 2022-12-23 Aravindakumar Vijayasri Mohan Kumar

Inspired by the diversity and depth of XLand and the simplicity and minimalism of MiniGrid, we present XLand-MiniGrid, a suite of tools and grid-world environments for meta-reinforcement learning research. Written in JAX, XLand-MiniGrid is…

Machine Learning · Computer Science 2024-11-20 Alexander Nikulin , Vladislav Kurenkov , Ilya Zisman , Artem Agarkov , Viacheslav Sinii , Sergey Kolesnikov

Learning-based model predictive control (MPC) is an approach designed to reduce the computational cost of MPC. In this paper, a constrained deep neural network (DNN) design is proposed to learn MPC policy for nonlinear systems. Using…

Systems and Control · Electrical Eng. & Systems 2023-03-30 Farshid Asadi

We present jax-cosmo, a library for automatically differentiable cosmological theory calculations. It uses the JAX library, which has created a new coding ecosystem, especially in probabilistic programming. As well as batch acceleration,…

Cosmology and Nongalactic Astrophysics · Physics 2023-05-01 Jean-Eric Campagne , François Lanusse , Joe Zuntz , Alexandre Boucaud , Santiago Casas , Minas Karamanis , David Kirkby , Denise Lanzieri , Yin Li , Austin Peel

In this paper we introduce Neural Network Coding(NNC), a data-driven approach to joint source and network coding. In NNC, the encoders at each source and intermediate node, as well as the decoder at each destination node, are neural…

Information Theory · Computer Science 2021-01-12 Litian Liu , Amit Solomon , Salman Salamatian , Muriel Medard

Alternative Current Optimal Power Flow (AC-OPF) is essential for efficient power system planning and real-time operation but remains an NP-hard and non-convex optimization problem with significant computational challenges. This paper…

Systems and Control · Electrical Eng. & Systems 2025-03-03 Ze Hu , Ziqing Zhu , Linghua Zhu , Xiang Wei , Siqi Bu , Ka Wing Chan

Probabilistic Circuits (PCs) are a class of generative models that allow exact and tractable inference for a wide range of queries. While recent developments have enabled the learning of deep and expressive PCs, this increased capacity can…

Machine Learning · Computer Science 2025-08-08 Hrithik Suresh , Sahil Sidheekh , Vishnu Shreeram M. P , Sriraam Natarajan , Narayanan C. Krishnan

We introduce LITcoder, an open-source library for building and benchmarking neural encoding models. Designed as a flexible backend, LITcoder provides standardized tools for aligning continuous stimuli (e.g., text and speech) with brain…

Computation and Language · Computer Science 2026-05-05 Taha Binhuraib , Ruimin Gao , Anna A. Ivanova