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Finding accurate ground state energy of a many-body system has been a major challenge in quantum chemistry. The integration of classic and quantum computers has shed new light on resolving this outstanding problem. Here we propose…

We present a novel neural network architecture using self-attention, the Wavefunction Transformer (Psiformer), which can be used as an approximation (or Ansatz) for solving the many-electron Schr\"odinger equation, the fundamental equation…

Chemical Physics · Physics 2023-04-20 Ingrid von Glehn , James S. Spencer , David Pfau

In this work we approach the Schr\"odinger equation in quantum wells with arbitrary potentials, using the machine learning technique. Two neural networks with different architectures are proposed and trained using a set of potentials,…

Computational Physics · Physics 2022-02-22 Adrian Radu , Carlos A. Duque

Can physical concepts and laws emerge in a neural network as it learns to predict the observation data of physical systems? As a benchmark and a proof-of-principle study of this possibility, here we show an introspective learning…

Disordered Systems and Neural Networks · Physics 2019-12-02 Ce Wang , Hui Zhai , Yi-Zhuang You

Deep learning has led to a paradigm shift in artificial intelligence, including web, text and image search, speech recognition, as well as bioinformatics, with growing impact in chemical physics. Machine learning in general and deep…

The success of the self-attention mechanism in classical machine learning models has inspired the development of quantum analogs aimed at reducing computational overhead. Self-attention integrates learnable query and key matrices to…

Deep learning has shown promising performance on various machine learning tasks. Nevertheless, the uninterpretability of deep learning models severely restricts the usage domains that require feature explanations, such as text correction.…

Computation and Language · Computer Science 2025-03-05 Fanyu Wang , Hangyu Zhu , Zhenping Xie

Current end-to-end machine reading and question answering (Q\&A) models are primarily based on recurrent neural networks (RNNs) with attention. Despite their success, these models are often slow for both training and inference due to the…

Computation and Language · Computer Science 2018-04-26 Adams Wei Yu , David Dohan , Minh-Thang Luong , Rui Zhao , Kai Chen , Mohammad Norouzi , Quoc V. Le

Machine comprehension of text is an important problem in natural language processing. A recently released dataset, the Stanford Question Answering Dataset (SQuAD), offers a large number of real questions and their answers created by humans…

Computation and Language · Computer Science 2016-11-08 Shuohang Wang , Jing Jiang

Solving the electronic Schr\"odinger equation for strongly correlated systems remains one of the grand challenges in quantum chemistry. Here we demonstrate that Transformer architectures can be adapted to capture the complex grammar of…

Quantum Physics · Physics 2025-10-01 Huan Ma , Bowen Kan , Honghui Shang , Jinlong Yang

Robust control design for quantum systems is a challenging and key task for practical technology. In this work, we apply neural networks to learn the control problem for the semiclassical Schr\"odinger equation, where the control variable…

Numerical Analysis · Mathematics 2023-05-31 Yating Wang , Liu Liu

In this paper we explore deep learning models with memory component or attention mechanism for question answering task. We combine and compare three models, Neural Machine Translation, Neural Turing Machine, and Memory Networks for a…

Computation and Language · Computer Science 2015-11-23 Yang Yu , Wei Zhang , Chung-Wei Hang , Bing Xiang , Bowen Zhou

We train a generative language model on the randomized local measurement data collected from Schr\"odinger's cat quantum state. We demonstrate that the classical reality emerges in the language model due to the information bottleneck:…

Quantum Physics · Physics 2024-04-12 Zhelun Zhang , Yi-Zhuang You

The application of machine learning models in quantum information theory has surged in recent years, driven by the recognition of entanglement and quantum states, which are the essence of this field. However, most of these studies rely on…

Quantum Physics · Physics 2024-08-13 Ali Kookani , Yousef Mafi , Payman Kazemikhah , Hossein Aghababa , Kazim Fouladi , Masoud Barati

Quantum theory has been remarkably successful in providing an understanding of physical systems at foundational scales. Solving the Schr\"odinger equation provides full knowledge of all dynamical quantities of the physical system. However…

Quantum Physics · Physics 2020-11-24 Cesar Lema , Anna Choromanska

This work proposes QNet, a novel sequence encoder model that entirely inferences on the quantum computer using a minimum number of qubits. Let $n$ and $d$ represent the length of the sequence and the embedding size, respectively. The…

Machine Learning · Computer Science 2023-08-29 Wei Day , Hao-Sheng Chen , Min-Te Sun

Master equations are of fundamental importance in modeling stochastic dynamical systems.However, solving master equations is challenging due to the exponential increase in the number of possible states or trajectories with the dimension of…

Machine Learning · Computer Science 2024-02-27 Chuanbo Liu , Jin Wang

Although quantum computing offers a promising solution for strongly correlated system simulation, existing algorithms face significant bottlenecks on current noisy intermediate-scale quantum (NISQ) devices. Here, we introduce…

The Transformer model, renowned for its powerful attention mechanism, has achieved state-of-the-art performance in various artificial intelligence tasks but faces challenges such as high computational cost and memory usage. Researchers are…

Quantum Physics · Physics 2026-03-24 Yuichi Kamata , Quoc Hoan Tran , Yasuhiro Endo , Hirotaka Oshima

Mathematical reasoning is one of the most impressive achievements of human intellect but remains a formidable challenge for artificial intelligence systems. In this work we explore whether modern deep learning architectures can learn to…

Machine Learning · Computer Science 2022-07-07 Samuel Cognolato , Alberto Testolin
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