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WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only. The Python package is centered around tensor train (TT, or matrix product) format representations of…

Quantum Physics · Physics 2023-05-10 Jerome Riedel , Patrick Gelß , Rupert Klein , Burkhard Schmidt

We present our ongoing work NeuroMapper, an in-browser visualization tool that helps machine learning (ML) developers interpret the evolution of a model during training, providing a new way to monitor the training process and visually…

Human-Computer Interaction · Computer Science 2022-10-25 Zhiyan Zhou , Kevin Li , Haekyu Park , Megan Dass , Austin Wright , Nilaksh Das , Duen Horng Chau

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely…

The development of accurate machine learning interatomic potentials (MLIPs) is limited by the fragmented availability and inconsistent formatting of quantum mechanical trajectory datasets derived from Density Functional Theory (DFT). These…

Machine Learning · Computer Science 2025-10-20 Ali Ramlaoui , Martin Siron , Inel Djafar , Joseph Musielewicz , Amandine Rossello , Victor Schmidt , Alexandre Duval

In this paper we present our open-source neural machine translation (NMT) toolkit called "Yet Another Neural Machine Translation Toolkit" abbreviated as YANMTT which is built on top of the Transformers library. Despite the growing…

Computation and Language · Computer Science 2021-08-26 Raj Dabre , Eiichiro Sumita

SchNetPack is a toolbox for the development and application of deep neural networks to the prediction of potential energy surfaces and other quantum-chemical properties of molecules and materials. It contains basic building blocks of…

Computational Physics · Physics 2018-12-13 K. T. Schütt , P. Kessel , M. Gastegger , K. Nicoli , A. Tkatchenko , K. -R. Müller

Although electrostatics can be incorporated into machine-learned interatomic potentials, existing approaches are computationally very demanding, limiting large-scale, long-time simulations of electrostatics-driven phenomena such as…

Natural language processing (NLP) enables the understanding and generation of meaningful human language, typically using a pre-trained complex architecture on a large dataset to learn the language and next fine-tune its weights to implement…

Computation and Language · Computer Science 2025-09-04 Yarden Tzach , Ronit D. Gross , Ella Koresh , Shalom Rosner , Or Shpringer , Tal Halevi , Ido Kanter

Neuro-encoded expression programming(NEEP) that aims to offer a novel continuous representation of combinatorial encoding for genetic programming methods is proposed in this paper. Genetic programming with linear representation uses…

Neural and Evolutionary Computing · Computer Science 2021-04-12 Aftab Anjum , Fengyang Sun , Lin Wang , Jeff Orchard

NeurST is an open-source toolkit for neural speech translation. The toolkit mainly focuses on end-to-end speech translation, which is easy to use, modify, and extend to advanced speech translation research and products. NeurST aims at…

Computation and Language · Computer Science 2021-06-16 Chengqi Zhao , Mingxuan Wang , Qianqian Dong , Rong Ye , Lei Li

Deep Neural Networks (DNN) have been widely employed in industry to address various Natural Language Processing (NLP) tasks. However, many engineers find it a big overhead when they have to choose from multiple frameworks, compare different…

Computation and Language · Computer Science 2019-10-21 Ming Gong , Linjun Shou , Wutao Lin , Zhijie Sang , Quanjia Yan , Ze Yang , Feixiang Cheng , Daxin Jiang

The design of chiral metasurfaces with tailored optical properties remains a central challenge in nanophotonics due to the highly nonlinear relationship between geometry and chiroptical response. Machine-learning-assisted optimization…

Optics · Physics 2025-12-30 Davide Filippozzi , Arash Rahimi-Iman

State-of-the-art convolutional neural networks (CNNs) used in vision applications have large models with numerous weights. Training these models is very compute- and memory-resource intensive. Much research has been done on pruning or…

Machine Learning · Computer Science 2019-12-10 Sangkug Lym , Esha Choukse , Siavash Zangeneh , Wei Wen , Sujay Sanghavi , Mattan Erez

With the advancements in open-source models, training (or finetuning) models on custom datasets has become a crucial part of developing solutions which are tailored to specific industrial or open-source applications. Yet, there is no single…

Artificial Intelligence · Computer Science 2024-11-15 Abhishek Thakur

We describe an open-source toolkit for neural machine translation (NMT). The toolkit prioritizes efficiency, modularity, and extensibility with the goal of supporting NMT research into model architectures, feature representations, and…

Computation and Language · Computer Science 2017-03-07 Guillaume Klein , Yoon Kim , Yuntian Deng , Jean Senellart , Alexander M. Rush

Recent studies have proven that the training of neural machine translation (NMT) can be facilitated by mimicking the learning process of humans. Nevertheless, achievements of such kind of curriculum learning rely on the quality of…

Computation and Language · Computer Science 2022-10-20 Yu Wan , Baosong Yang , Derek F. Wong , Yikai Zhou , Lidia S. Chao , Haibo Zhang , Boxing Chen

Implicit Neural Representations (INRs) parameterize continuous signals via multilayer perceptrons (MLPs), enabling compact, resolution-independent modeling for tasks like image, audio, and 3D reconstruction. However, fitting high-resolution…

Machine Learning · Computer Science 2026-02-26 Chen Zhang , Wei Zuo , Bingyang Cheng , Yikun Wang , Wei-Bin Kou , Yik Chung WU , Ngai Wong

The intrinsic error tolerance of neural network (NN) makes approximate computing a promising technique to improve the energy efficiency of NN inference. Conventional approximate computing focuses on balancing the efficiency-accuracy…

Machine Learning · Computer Science 2018-05-23 Xin He , Liu Ke , Wenyan Lu , Guihai Yan , Xuan Zhang

This paper presents, NeuroTrainer, an intelligent memory module with in-memory accelerators that forms the building block of a scalable architecture for energy efficient training for deep neural networks. The proposed architecture is based…

Hardware Architecture · Computer Science 2017-10-13 Duckhwan Kim , Taesik Na , Sudhakar Yalamanchili , Saibal Mukhopadhyay

Emerging two terminal nanoscale memory devices, known as memristors, have over the past decade demonstrated great potential for implementing energy efficient neuro-inspired computing architectures. As a result, a wide-range of technologies…

Emerging Technologies · Computer Science 2022-07-29 Jinqi Huang , Spyros Stathopoulos , Alex Serb , Themis Prodromakis