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By interpreting the forward dynamics of the latent representation of neural networks as an ordinary differential equation, Neural Ordinary Differential Equation (Neural ODE) emerged as an effective framework for modeling a system dynamics…

Machine Learning · Computer Science 2020-10-19 Daehoon Gwak , Gyuhyeon Sim , Michael Poli , Stefano Massaroli , Jaegul Choo , Edward Choi

Deep neural networks conventionally employ end-to-end backpropagation for their training process, which lacks biological credibility and triggers a locking dilemma during network parameter updates, leading to significant GPU memory use.…

Computer Vision and Pattern Recognition · Computer Science 2024-08-13 Junhao Su , Changpeng Cai , Feiyu Zhu , Chenghao He , Xiaojie Xu , Dongzhi Guan , Chenyang Si

Obtaining labeled data for machine learning tasks can be prohibitively expensive. Active learning mitigates this issue by exploring the unlabeled data space and prioritizing the selection of data that can best improve the model performance.…

Machine Learning · Computer Science 2021-04-21 Vineeth Rakesh , Swayambhoo Jain

We demonstrate a machine learning based approach which can learn the time-dependent electronic excitation dynamics of small molecules subjected to ion irradiation. Ensembles of recurrent neural networks are trained on data generated by…

Chemical Physics · Physics 2024-09-24 Ethan P. Shapera , Cheng-Wei Lee

We present a method to solve initial and boundary value problems using artificial neural networks. A trial solution of the differential equation is written as a sum of two parts. The first part satisfies the boundary (or initial) conditions…

Computational Physics · Physics 2016-11-15 I. E. Lagaris , A. Likas , D. I. Fotiadis

Probabilistic predictions from neural networks which account for predictive uncertainty during classification is crucial in many real-world and high-impact decision making settings. However, in practice most datasets are trained on…

Machine Learning · Computer Science 2022-09-30 Satya Borgohain , Klaus Ackermann , Ruben Loaiza-Maya

Accurate modeling of boundary conditions is crucial in computational physics. The ever increasing use of neural networks as surrogates for physics-related problems calls for an improved understanding of boundary condition treatment, and its…

Machine Learning · Computer Science 2021-07-06 Antonio Alguacil , Wagner Gonçalves Pinto , Michael Bauerheim , Marc C. Jacob , Stéphane Moreau

Important insights towards the explainability of neural networks reside in the characteristics of their decision boundaries. In this work, we borrow tools from the field of adversarial robustness, and propose a new perspective that relates…

Machine Learning · Computer Science 2020-10-16 Guillermo Ortiz-Jimenez , Apostolos Modas , Seyed-Mohsen Moosavi-Dezfooli , Pascal Frossard

Our theoretical understanding of deep learning has not kept pace with its empirical success. While network architecture is known to be critical, we do not yet understand its effect on learned representations and network behavior, or how…

Machine Learning · Computer Science 2022-07-22 Andrew M. Saxe , Shagun Sodhani , Sam Lewallen

Many physical processes such as weather phenomena or fluid mechanics are governed by partial differential equations (PDEs). Modelling such dynamical systems using Neural Networks is an active research field. However, current methods are…

Machine Learning · Computer Science 2022-10-12 Andrzej Dulny , Andreas Hotho , Anna Krause

Many discrete optimization problems are amenable to constrained shortest-path reformulations in an extended network space, a technique that has been key in convexification, bound strengthening, and search. In this paper, we propose a…

Optimization and Control · Mathematics 2024-07-09 Leonardo Lozano , David Bergman , Andre A. Cire

The topology of artificial neural networks has a significant effect on their performance. Characterizing efficient topology is a field of promising research in Artificial Intelligence. However, it is not a trivial task and it is mainly…

Neural and Evolutionary Computing · Computer Science 2022-05-23 Fabien Furfaro , Avner Bar-Hen , Geoffroy Berthelot

Small neural networks with a constrained number of trainable parameters, can be suitable resource-efficient candidates for many simple tasks, where now excessively large models are used. However, such models face several problems during the…

Machine Learning · Computer Science 2021-09-21 Alexander Kovalenko , Pavel Kordík , Magda Friedjungová

We propose a method combining boundary integral equations and neural networks (BINet) to solve partial differential equations (PDEs) in both bounded and unbounded domains. Unlike existing solutions that directly operate over original PDEs,…

Numerical Analysis · Mathematics 2021-10-04 Guochang Lin , Pipi Hu , Fukai Chen , Xiang Chen , Junqing Chen , Jun Wang , Zuoqiang Shi

There have been extensive studies on solving differential equations using physics-informed neural networks. While this method has proven advantageous in many cases, a major criticism lies in its lack of analytical error bounds. Therefore,…

Neural and Evolutionary Computing · Computer Science 2022-07-05 Shuheng Liu , Xiyue Huang , Pavlos Protopapas

Optimal control problems naturally arise in many scientific applications where one wishes to steer a dynamical system from a certain initial state $\mathbf{x}_0$ to a desired target state $\mathbf{x}^*$ in finite time $T$. Recent advances…

Machine Learning · Computer Science 2022-09-20 Lucas Böttcher , Thomas Asikis

B-decay data from the Belle experiment at the KEKB collider have a substantial background from $e^{+}e^{-}\to q \bar{q}$ events. To suppress this we employ deep neural network algorithms. These provide improved signal from background…

Data Analysis, Statistics and Probability · Physics 2018-11-05 Anton Hawthorne-Gonzalvez , Martin Sevior

Directed acyclic graphs (DAGs) are commonly used to model causal relationships among random variables. In general, learning the DAG structure is both computationally and statistically challenging. Moreover, without additional information,…

Machine Learning · Statistics 2024-03-26 Ali Shojaie , Wenyu Chen

Machine learning algorithms, and more in particular neural networks, arguably experience a revolution in terms of performance. Currently, the best systems we have for speech recognition, computer vision and similar problems are based on…

Neural and Evolutionary Computing · Computer Science 2015-10-07 Michiel Hermans , Michaël Burm , Joni Dambre , Peter Bienstman

Estimating the structure of directed acyclic graphs (DAGs) from observational data remains a significant challenge in machine learning. Most research in this area concentrates on learning a single DAG for the entire population. This paper…

Machine Learning · Statistics 2024-02-21 Ryan Thompson , Edwin V. Bonilla , Robert Kohn