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The presented work demonstrates the training of recurrent neural networks (RNNs) from distributions of atom coordinates in solid state structures that were obtained using ab initio molecular dynamics (AIMD) simulations. AIMD simulations on…

Computational Physics · Physics 2019-09-27 Mohammad Javad Eslamibidgoli , Mehrdad Mokhtari , Michael H. Eikerling

Learning-based congestion controllers offer better adaptability compared to traditional heuristics. However, the unreliability of learning techniques can cause learning-based controllers to behave poorly, creating a need for formal…

Machine Learning · Computer Science 2026-01-13 Chenxi Yang , Divyanshu Saxena , Rohit Dwivedula , Kshiteej Mahajan , Swarat Chaudhuri , Aditya Akella

Time series prediction is essential for human activities in diverse areas. A common approach to this task is to harness Recurrent Neural Networks (RNNs). However, while their predictions are quite accurate, their learning process is complex…

Quantum Physics · Physics 2025-05-30 Michał Siemaszko , Adam Buraczewski , Bertrand Le Saux , Magdalena Stobińska

In this paper we consider the problem of proving properties of infinite behaviour of formalisms suitable to describe (infinite state) systems with recursion and parallelism. As a formal setting, we consider the framework of Process…

Logic in Computer Science · Computer Science 2011-11-09 Laura Bozzelli , Massimo Benerecetti , Adriano Peron

Recurrent neural networks are capable of learning the dynamics of an unknown nonlinear system purely from input-output measurements. However, the resulting models do not provide any stability guarantees on the input-output mapping. In this…

Machine Learning · Computer Science 2022-12-19 Daniel Frank , Decky Aspandi Latif , Michael Muehlebach , Benjamin Unger , Steffen Staab

We report the results of our classification-based machine translation model, built upon the framework of a recurrent neural network using gated recurrent units. Unlike other RNN models that attempt to maximize the overall conditional log…

Neural and Evolutionary Computing · Computer Science 2017-03-24 Ri Wang , Maysum Panju , Mahmood Gohari

Recent work has shown that recurrent neural networks (RNNs) can implicitly capture and exploit hierarchical information when trained to solve common natural language processing tasks such as language modeling (Linzen et al., 2016) and…

Computation and Language · Computer Science 2018-08-29 Ke Tran , Arianna Bisazza , Christof Monz

Predictive monitoring of business processes is a subfield of process mining that aims to predict, among other things, the characteristics of the next event or the sequence of next events. Although multiple approaches based on deep learning…

Machine Learning · Computer Science 2021-12-24 Efrén Rama-Maneiro , Juan C. Vidal , Manuel Lama

Deep Neural Networks (DNNs), as valuable intellectual property, face unauthorized use. Existing protections, such as digital watermarking, are largely passive; they provide only post-hoc ownership verification and cannot actively prevent…

Cryptography and Security · Computer Science 2025-12-12 Han Yang , Shaofeng Li , Tian Dong , Xiangyu Xu , Guangchi Liu , Zhen Ling

Molecule property prediction is a fundamental problem for computer-aided drug discovery and materials science. Quantum-chemical simulations such as density functional theory (DFT) have been widely used for calculating the molecule…

Machine Learning · Computer Science 2019-11-26 Hiroyuki Shindo , Yuji Matsumoto

Recurrent neural networks are the foundation of many sequence-to-sequence models in machine learning, such as machine translation and speech synthesis. In contrast, applied quantum computing is in its infancy. Nevertheless there already…

Machine Learning · Computer Science 2020-10-01 Johannes Bausch

Building on the interpretation of a recurrent neural network (RNN) as a continuous-time neural differential equation, we show, under appropriate conditions, that the solution of a RNN can be viewed as a linear function of a specific feature…

Machine Learning · Statistics 2021-11-01 Adeline Fermanian , Pierre Marion , Jean-Philippe Vert , Gérard Biau

Property-based testing (PBT) is a technique for validating code against an executable specification by automatically generating test-data. We present a proof-theoretical reconstruction of this style of testing for relational specifications…

Logic in Computer Science · Computer Science 2025-01-22 Dale Miller , Alberto Momigliano

Recently, several methods have been proposed to explain the predictions of recurrent neural networks (RNNs), in particular of LSTMs. The goal of these methods is to understand the network's decisions by assigning to each input variable,…

Machine Learning · Computer Science 2019-06-05 Leila Arras , Ahmed Osman , Klaus-Robert Müller , Wojciech Samek

To simultaneously capture syntax and global semantics from a text corpus, we propose a new larger-context recurrent neural network (RNN) based language model, which extracts recurrent hierarchical semantic structure via a dynamic deep topic…

Computation and Language · Computer Science 2020-06-30 Dandan Guo , Bo Chen , Ruiying Lu , Mingyuan Zhou

Deep neural networks (DNNs) are powerful learning machines that have enabled breakthroughs in several domains. In this work, we introduce a new retrospective loss to improve the training of deep neural network models by utilizing the prior…

Computer Vision and Pattern Recognition · Computer Science 2020-06-25 Surgan Jandial , Ayush Chopra , Mausoom Sarkar , Piyush Gupta , Balaji Krishnamurthy , Vineeth Balasubramanian

Real-time lightweight time series anomaly detection has become increasingly crucial in cybersecurity and many other domains. Its ability to adapt to unforeseen pattern changes and swiftly identify anomalies enables prompt responses and…

Machine Learning · Computer Science 2024-07-29 Ming-Chang Lee , Jia-Chun Lin , Sokratis Katsikas

Several techniques for domain adaptation have been proposed to account for differences in the distribution of the data used for training and testing. The majority of this work focuses on a binary domain label. Similar problems occur in a…

Machine Learning · Statistics 2020-02-18 Gilles Louppe , Michael Kagan , Kyle Cranmer

Recurrent neural networks (RNN) are the backbone of many text and speech applications. These architectures are typically made up of several computationally complex components such as; non-linear activation functions, normalization,…

Machine Learning · Computer Science 2022-12-23 Vahid Partovi Nia , Eyyüb Sari , Vanessa Courville , Masoud Asgharian

In this paper, we propose and investigate a new neural network architecture called Neural Random Access Machine. It can manipulate and dereference pointers to an external variable-size random-access memory. The model is trained from pure…

Machine Learning · Computer Science 2016-02-11 Karol Kurach , Marcin Andrychowicz , Ilya Sutskever