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Predictive simulations are essential for applications ranging from weather forecasting to material design. The veracity of these simulations hinges on their capacity to capture the effective system dynamics. Massively parallel simulations…

The ability to accurately model interatomic interactions in large-scale systems is fundamental to understanding a wide range of physical and chemical phenomena, from drug-protein binding to the behavior of next-generation materials. While…

Materials Science · Physics 2025-05-26 Taskin Mehereen , Sourav Saha , Intesar Jawad Jaigirdar , Chanwook Park

Probability density function (PDF) based turbulent combustion modelling is limited by the need to store multi-dimensional PDF tables that can take up large amounts of memory. A significant saving in storage can be achieved by using various…

Computational Engineering, Finance, and Science · Computer Science 2020-05-21 Rishikesh Ranade , Genong Li , Shaoping Li , Tarek Echekki

Pipeline parallelism (PP) is widely used for training large language models (LLMs), yet its scalability is often constrained by high activation memory consumption as the number of in-flight microbatches grows with the degree of PP. In this…

Machine Learning · Computer Science 2025-07-01 Xinyi Wan , Penghui Qi , Guangxing Huang , Min Lin , Jialin Li

Machine learning potentials (MLPs) are becoming powerful tools for performing accurate atomistic simulations and crystal structure optimizations. An approach to developing MLPs employs a systematic set of polynomial invariants including…

Computational Physics · Physics 2020-11-18 Atsuto Seko

Pipeline parallelism (PP) has become a standard technique for scaling large language model (LLM) training across multiple devices. However, despite recent progress in reducing memory consumption through activation offloading, existing…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-08 Hongpei Li , Han Zhang , Huikang Liu , Dongdong Ge , Yinyu Ye

The unaffordable computation load of nonlinear model predictive control (NMPC) has prevented it for being used in robots with high sampling rates for decades. This paper is concerned with the policy learning problem for nonlinear MPC with…

Robotics · Computer Science 2022-11-21 Rizhong Wang , Huiping Li , Bin Liang , Yang Shi , Demin Xu

Automated data preparation is crucial for democratizing machine learning, yet existing reinforcement learning (RL) based approaches suffer from inefficient exploration in the vast space of possible preprocessing pipelines. We present…

Databases · Computer Science 2025-07-21 Jing Chang , Chang Liu , Jinbin Huang , Rui Mao , Jianbin Qin

Memory, as the basis of learning, determines the storage, update and forgetting of knowledge and further determines the efficiency of learning. Featured with the mechanism of memory, a radial basis function neural network based learning…

Systems and Control · Electrical Eng. & Systems 2023-11-27 Yiming Fei , Jiangang Li , Yanan Li

Deep-learning models such as Convolutional Neural Networks (CNN) and Long Short-Term Memory (LSTM) have been successfully used for process-mining tasks. They have achieved better performance for different predictive tasks than traditional…

Machine Learning · Computer Science 2021-05-04 Ishwar Venugopal , Jessica Töllich , Michael Fairbank , Ansgar Scherp

In molecular dynamics (MD), neural network (NN) potentials trained bottom-up on quantum mechanical data have seen tremendous success recently. Top-down approaches that learn NN potentials directly from experimental data have received less…

Chemical Physics · Physics 2021-11-29 Stephan Thaler , Julija Zavadlav

Recent Vision-Language-Action (VLA) models equipped with Flow Matching (FM) action heads achieve state-of-the-art performance in complex robot manipulation. However, the multi-step iterative ODE solving required by FM introduces inference…

Robotics · Computer Science 2026-03-19 Zhou Fang , Jiaqi Wang , Yi Zhou , Qiongfeng Shi

Continual instruction tuning enables large language models (LLMs) to learn incrementally while retaining past knowledge, whereas existing methods primarily focus on how to retain old knowledge rather than on selecting which new knowledge to…

Computation and Language · Computer Science 2025-03-21 Peiyi Lin , Fukai Zhang , Kai Niu , Hao Fu

Reinforcement Learning (RL) is increasingly utilized to enhance the reasoning capabilities of Large Language Models (LLMs). However, effectively scaling these RL methods presents significant challenges, primarily due to the difficulty in…

Machine Learning · Computer Science 2025-09-30 Alexandre Piché , Ehsan Kamalloo , Rafael Pardinas , Xiaoyin Chen , Dzmitry Bahdanau

We develop a three-component Model Predictive Control (MPC) algorithm to achieve output-reference tracking with prescribed performance for continuous-time nonlinear systems. One component is so-called funnel MPC, which achieves reference…

Optimization and Control · Mathematics 2025-02-18 Lukas Lanza , Dario Dennstädt , Thomas Berger , Karl Worthmann

Deep learning has shown strong potential in modeling complex spatiotemporal dynamics. However, most existing methods depend on densely and uniformly sampled data, which is often unavailable in practice due to sensor and cost limitations. In…

Machine Learning · Computer Science 2025-12-16 Han Wan , Qi Wang , Yuan Mi , Rui Zhang , Hao Sun

We propose a new approach for solving planning problems with a hierarchical structure, fusing reinforcement learning and MPC planning. Our formulation tightly and elegantly couples the two planning paradigms. It leverages reinforcement…

Machine Learning · Computer Science 2026-04-17 Toshiaki Hori , Jonathan DeCastro , Deepak Gopinath , Avinash Balachandran , Guy Rosman

Traversing narrow gates presents a significant challenge and has become a standard benchmark for evaluating agile and precise quadrotor flight. Traditional modularized autonomous flight stacks require extensive design and parameter tuning,…

Robotics · Computer Science 2026-03-06 Tianchen Sun , Bingheng Wang , Nuthasith Gerdpratoom , Longbin Tang , Yichao Gao , Lin Zhao

Recently, machine learning potentials (MLP) largely enhances the reliability of molecular dynamics, but its accuracy is limited by the underlying $\textit{ab initio}$ methods. A viable approach to overcome this limitation is to refine the…

Chemical Physics · Physics 2024-06-28 Bin Han , Kuang Yu

Machine intelligence, especially using convolutional neural networks (CNNs), has become a large area of research over the past years. Increasingly sophisticated hardware accelerators are proposed that exploit e.g. the sparsity in…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-23 Andreas Bytyn , René Ahlsdorf , Rainer Leupers , Gerd Ascheid