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A core challenge in the interpretation of deep neural networks is identifying commonalities between the underlying algorithms implemented by distinct networks trained for the same task. Motivated by this problem, we introduce DYNAMO, an…

Machine Learning · Computer Science 2023-03-01 Jordan Cotler , Kai Sheng Tai , Felipe Hernández , Blake Elias , David Sussillo

Graphs are essential representations of many real-world data such as social networks. Recent years have witnessed the increasing efforts made to extend the neural network models to graph-structured data. These methods, which are usually…

Machine Learning · Computer Science 2018-11-07 Yao Ma , Ziyi Guo , Zhaochun Ren , Eric Zhao , Jiliang Tang , Dawei Yin

Learning to interact with the environment not only empowers the agent with manipulation capability but also generates information to facilitate building of action understanding and imitation capabilities. This seems to be a strategy adopted…

Robotics · Computer Science 2022-12-06 M. Y. Seker , A. Ahmetoglu , Y. Nagai , M. Asada , E. Oztop , E. Ugur

The abundance of data affords researchers to pursue more powerful computational tools to learn the dynamics of complex system, such as neural networks, engineered systems and social networks. Traditional machine learning approaches capture…

Machine Learning · Computer Science 2024-05-16 Yan Shen , Fan Yang , Mingchen Gao , Wen Dong

Graphs are a natural representation of brain activity derived from functional magnetic imaging (fMRI) data. It is well known that clusters of anatomical brain regions, known as functional connectivity networks (FCNs), encode temporal…

Machine Learning · Computer Science 2023-01-30 Alexander Campbell , Simeon Spasov , Nicola Toschi , Pietro Lio

Data-driven modeling of human motions is ubiquitous in computer graphics and computer vision applications, such as synthesizing realistic motions or recognizing actions. Recent research has shown that such problems can be approached by…

Graphics · Computer Science 2019-08-21 He Wang , Edmond S. L. Ho , Hubert P. H. Shum , Zhanxing Zhu

Dynamical systems theory has long provided a foundation for understanding evolving phenomena across scientific domains. Yet, the application of this theory to complex real-world systems remains challenging due to issues in mathematical…

Machine Learning · Computer Science 2024-11-05 Samuel A. Moore , Brian P. Mann , Boyuan Chen

In this paper, we introduce a modular deep neural network (DNN) framework for data-driven reduced order modeling of dynamical systems relevant to fluid flows. We propose various deep neural network architectures which numerically predict…

Computational Physics · Physics 2019-09-04 S. Pawar , S. M. Rahman , H. Vaddireddy , O. San , A. Rasheed , P. Vedula

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it.…

Machine Learning · Computer Science 2024-05-14 Tianrong Chen , Jiatao Gu , Laurent Dinh , Evangelos A. Theodorou , Joshua Susskind , Shuangfei Zhai

Forecasting the evolution of contagion dynamics is still an open problem to which mechanistic models only offer a partial answer. To remain mathematically or computationally tractable, these models must rely on simplifying assumptions,…

Physics and Society · Physics 2021-08-18 Charles Murphy , Edward Laurence , Antoine Allard

While deep generative models (DGMs) have gained popularity, their susceptibility to biases and other inefficiencies that lead to undesirable outcomes remains an issue. With their growing complexity, there is a critical need for early…

Machine Learning · Computer Science 2024-12-18 Vidya Prasad , Anna Vilanova , Nicola Pezzotti

Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…

Machine Learning · Computer Science 2022-04-27 Zijie Li , Kazem Meidani , Prakarsh Yadav , Amir Barati Farimani

Deep generative models (DGMs) have the potential to revolutionize diagnostic imaging. Generative adversarial networks (GANs) are one kind of DGM which are widely employed. The overarching problem with deploying GANs, and other DGMs, in any…

Computer Vision and Pattern Recognition · Computer Science 2023-04-03 Rucha Deshpande , Mark A. Anastasio , Frank J. Brooks

Given (small amounts of) time-series' data from a high-dimensional, fine-grained, multiscale dynamical system, we propose a generative framework for learning an effective, lower-dimensional, coarse-grained dynamical model that is predictive…

Machine Learning · Statistics 2021-01-18 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis

Deep learning models evolve through training to learn the manifold in which the data exists to satisfy an objective. It is well known that evolution leads to different final states which produce inconsistent predictions of the same test…

Dynamical Systems · Mathematics 2021-06-16 Mohammed Eslami , Hamed Eramian , Marcio Gameiro , William Kalies , Konstantin Mischaikow

Graph Neural Networks (GNNs) have emerged as fundamental tools for a wide range of prediction tasks on graph-structured data. Recent studies have drawn analogies between GNN feature propagation and diffusion processes, which can be…

Machine Learning · Computer Science 2024-10-10 Dai Shi , Lequan Lin , Andi Han , Zhiyong Wang , Yi Guo , Junbin Gao

Advancements in artificial intelligence call for a deeper understanding of the fundamental mechanisms underlying deep learning. In this work, we propose a theoretical framework to analyze learning dynamics through the lens of dynamical…

Machine Learning · Computer Science 2025-10-13 Yuchen Lin , Yong Zhang , Sihan Feng , Hong Zhao

The Deep Material Network (DMN) has emerged as a powerful framework for multiscale materials modeling, enabling efficient and accurate prediction of material behavior across different length scales. Unlike conventional data-driven…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Ting-Ju Wei , Wen-Ning Wan , Chuin-Shan Chen

In this work, we present a novel approach to system identification for dynamical systems, based on a specific class of Deep Gaussian Processes (Deep GPs). These models are constructed by interconnecting linear dynamic GPs (equivalent to…

Machine Learning · Statistics 2025-02-11 Alessio Benavoli , Dario Piga , Marco Forgione , Marco Zaffalon