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This paper presents a method to simulate the thermal behavior of 3D systems using a graph neural network. The method discussed achieves a significant speed-up with respect to a traditional finite-element simulation. The graph neural network…

Computational Engineering, Finance, and Science · Computer Science 2022-09-29 Helios Sanchis-Alepuz , Monika Stipsitz

While deep reinforcement learning has achieved promising results in challenging decision-making tasks, the main bones of its success --- deep neural networks are mostly black-boxes. A feasible way to gain insight into a black-box model is…

Machine Learning · Computer Science 2021-08-17 Zhao-Hua Li , Yang Yu , Yingfeng Chen , Ke Chen , Zhipeng Hu , Changjie Fan

Deep neural networks (DNNs) have improved NLP tasks significantly, but training and maintaining such networks could be costly. Model compression techniques, such as, knowledge distillation (KD), have been proposed to address the issue;…

Computation and Language · Computer Science 2023-11-08 Manas Mohanty , Tanya Roosta , Peyman Passban

Neural compression is the application of neural networks and other machine learning methods to data compression. Recent advances in statistical machine learning have opened up new possibilities for data compression, allowing compression…

Machine Learning · Computer Science 2023-08-22 Yibo Yang , Stephan Mandt , Lucas Theis

Biological systems have to build models from their sensory data that allow them to efficiently process previously unseen inputs. Here, we study a neural network learning a linearly separable rule using examples provided by a teacher. We…

Statistical Mechanics · Physics 2017-11-22 Sebastian Goldt , Udo Seifert

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Chemical Physics · Physics 2018-12-20 Michael Gastegger , Philipp Marquetand

Recent advances at the intersection of control theory, neuroscience, and machine learning have revealed novel mechanisms by which dynamical systems perform computation. These advances encompass a wide range of conceptual, mathematical, and…

Machine Learning · Computer Science 2026-04-10 Arthur N. Montanari , Francesco Bullo , Dmitry Krotov , Adilson E. Motter

Dataset distillation has emerged as a strategy to overcome the hurdles associated with large datasets by learning a compact set of synthetic data that retains essential information from the original dataset. While distilled data can be used…

Machine Learning · Computer Science 2024-07-23 William Yang , Ye Zhu , Zhiwei Deng , Olga Russakovsky

Knowledge distillation is a method of transferring the knowledge from a complex deep neural network (DNN) to a smaller and faster DNN, while preserving its accuracy. Recent variants of knowledge distillation include teaching assistant…

Machine Learning · Computer Science 2023-04-11 Minghong Gao

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Deep neural networks with millions of parameters may suffer from poor generalization due to overfitting. To mitigate the issue, we propose a new regularization method that penalizes the predictive distribution between similar samples. In…

Machine Learning · Computer Science 2020-04-08 Sukmin Yun , Jongjin Park , Kimin Lee , Jinwoo Shin

Considering the fact that students have different abilities to understand the knowledge imparted by teachers, a multi-granularity distillation mechanism is proposed for transferring more understandable knowledge for student networks. A…

Computer Vision and Pattern Recognition · Computer Science 2021-09-06 Baitan Shao , Ying Chen

Nonlinear model predictive control (NMPC) requires accurate and computationally efficient plant models. Our previous work has shown that the classical compartmentalization model reduction approach for distillation columns can be enhanced by…

Optimization and Control · Mathematics 2020-11-26 Jannik T. Lüthje , Jan C. Schulze , Adrian Caspari , Adel Mhamdi , Alexander Mitsos , Pascal Schäfer

Neural machine translation (NMT) offers a novel alternative formulation of translation that is potentially simpler than statistical approaches. However to reach competitive performance, NMT models need to be exceedingly large. In this paper…

Computation and Language · Computer Science 2016-09-23 Yoon Kim , Alexander M. Rush

Transformer-based architectures have become the de-facto standard models for diverse vision tasks owing to their superior performance. As the size of the models continues to scale up, model distillation becomes extremely important in…

Computer Vision and Pattern Recognition · Computer Science 2024-07-08 Cheng Han , Qifan Wang , Sohail A. Dianat , Majid Rabbani , Raghuveer M. Rao , Yi Fang , Qiang Guan , Lifu Huang , Dongfang Liu

Typical topology optimization methods require complex iterative calculations, which cannot meet the requirements of fast computing applications. The neural network is studied to reduce the time of computing the optimization result, however,…

Computational Physics · Physics 2024-01-12 Ce Guan , Jianyu Zhang , Zhen Li , Yongbo Deng

Multi-task learning (MTL) is to learn one single model that performs multiple tasks for achieving good performance on all tasks and lower cost on computation. Learning such a model requires to jointly optimize losses of a set of tasks with…

Computer Vision and Pattern Recognition · Computer Science 2020-09-25 Wei-Hong Li , Hakan Bilen

Disorder in condensed matter and atomic physics is responsible for a great variety of fascinating quantum phenomena, which are still challenging for understanding, not to mention the relevant dynamical control. Here we introduce proof of…

Disordered Systems and Neural Networks · Physics 2022-03-01 Tang-You Huang , Yue Ban , E. Ya. Sherman , Xi Chen

Top-performing machine learning systems, such as deep neural networks, large ensembles and complex probabilistic graphical models, can be expensive to store, slow to evaluate and hard to integrate into larger systems. Ideally, we would like…

Machine Learning · Statistics 2015-10-09 George Papamakarios

Neural network calibration is an essential task in deep learning to ensure consistency between the confidence of model prediction and the true correctness likelihood. In this paper, we propose a new post-processing calibration method called…

Machine Learning · Computer Science 2024-07-26 Yung-Chen Tang , Pin-Yu Chen , Tsung-Yi Ho