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Recently, we introduced a class of molecular representations for kernel-based regression methods -- the spectrum of approximated Hamiltonian matrices (SPA$^\mathrm{H}$M) -- that takes advantage of lightweight one-electron Hamiltonians…

Chemical Physics · Physics 2024-02-21 Ksenia R. Briling , Yannick Calvino Alonso , Alberto Fabrizio , Clemence Corminboeuf

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

Quantum Physics · Physics 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

We propose the Motion Capsule Autoencoder (MCAE), which addresses a key challenge in the unsupervised learning of motion representations: transformation invariance. MCAE models motion in a two-level hierarchy. In the lower level, a…

Computer Vision and Pattern Recognition · Computer Science 2021-10-04 Ziwei Xu , Xudong Shen , Yongkang Wong , Mohan S Kankanhalli

Escalating cyber threats and the high-dimensional complexity of IoT traffic have outpaced classical anomaly detection methods. While deep learning offers improvements, computational bottlenecks limit real-time deployment at scale. We…

Machine Learning · Computer Science 2025-12-01 Swathi Chandrasekhar , Shiva Raj Pokhrel , Swati Kumari , Navneet Singh

Quantum machine learning has the potential to computationally outperform classical machine learning, but it is not yet clear whether it will actually be valuable for practical problems. While some artificial scenarios have shown that…

Quantum Physics · Physics 2025-08-22 Akimoto Nakayama , Kosuke Mitarai , Leonardo Placidi , Takanori Sugimoto , Keisuke Fujii

We propose Denoising Masked Autoencoder (Deno-MAE), a novel multimodal autoencoder framework for denoising modulation signals during pretraining. DenoMAE extends the concept of masked autoencoders by incorporating multiple input modalities,…

The quantum Boltzmann machine (QBM) is a generative machine learning model for both classical data and quantum states. Training the QBM consists of minimizing the relative entropy from the model to the target state. This requires QBM…

Quantum Physics · Physics 2024-05-24 Onno Huijgen , Luuk Coopmans , Peyman Najafi , Marcello Benedetti , Hilbert J. Kappen

Analog quantum simulators provide access to many-body dynamics beyond the reach of classical computation. However, extracting physical insights from experimental data is often hindered by measurement noise, limited observables, and…

Raman spectroscopy serves as a powerful and reliable tool for analyzing the chemical information of substances. The integration of Raman spectroscopy with deep learning methods enables rapid qualitative and quantitative analysis of…

Signal Processing · Electrical Eng. & Systems 2025-04-24 Pengju Ren , Ri-gui Zhou , Yaochong Li

Approximating distributions over complicated manifolds, such as natural images, are conceptually attractive. The deep latent variable model, trained using variational autoencoders and generative adversarial networks, is now a key technique…

Computer Vision and Pattern Recognition · Computer Science 2019-10-08 Wenju Xu , Shawn Keshmiri , Guanghui Wang

Traditional approaches for Visual Question Answering (VQA) require large amount of labeled data for training. Unfortunately, such large scale data is usually not available for medical domain. In this paper, we propose a novel medical VQA…

Computer Vision and Pattern Recognition · Computer Science 2019-09-27 Binh D. Nguyen , Thanh-Toan Do , Binh X. Nguyen , Tuong Do , Erman Tjiputra , Quang D. Tran

Accurate determination of qubit parameters is critical for the successful implementation of quantum information and computation applications. In solid state systems, the parameters of individual qubits vary across the entire system,…

Audio-Visual Emotion Recognition (AVER) has garnered increasing attention in recent years for its critical role in creating emotion-ware intelligent machines. Previous efforts in this area are dominated by the supervised learning paradigm.…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Licai Sun , Zheng Lian , Bin Liu , Jianhua Tao

To obtain estimates of electronic energies, the Variational Quantum Eigensolver (VQE) technique performs separate measurements for multiple parts of the system Hamiltonian. Current quantum hardware is restricted to projective single-qubit…

Quantum Physics · Physics 2019-10-22 Artur F. Izmaylov , Tzu-Ching Yen , Robert A. Lang , Vladyslav Verteletskyi

We present two new statistical machine learning methods designed to learn on fully homomorphic encrypted (FHE) data. The introduction of FHE schemes following Gentry (2009) opens up the prospect of privacy preserving statistical machine…

Machine Learning · Statistics 2015-08-28 Louis J. M. Aslett , Pedro M. Esperança , Chris C. Holmes

Advancements in optical quantum technologies have been enabled by the generation, manipulation, and characterization of light, with identification based on its photon statistics. However, characterizing light and its sources through single…

Quantum Physics · Physics 2024-05-09 Mahesh Bhupati , Abhishek Mall , Anshuman Kumar , Pankaj K. Jha

The variational quantum eigensolver (VQE) is a hybrid algorithm that has the potential to provide a quantum advantage in practical chemistry problems that are currently intractable on classical computers. VQE trains parameterized quantum…

Quantum Physics · Physics 2023-11-10 Quoc Hoan Tran , Shinji Kikuchi , Hirotaka Oshima

Solving the electronic structure problem using the Variational Quantum Eigensolver (VQE) technique involves measurement of the Hamiltonian expectation value. Current hardware can perform only projective single-qubit measurements, and thus,…

Quantum Physics · Physics 2020-04-22 Vladyslav Verteletskyi , Tzu-Ching Yen , Artur F. Izmaylov

Learning a new task from a handful of examples remains an open challenge in machine learning. Despite the recent progress in few-shot learning, most methods rely on supervised pretraining or meta-learning on labeled meta-training data and…

Machine Learning · Computer Science 2022-10-10 Kuilin Chen , Chi-Guhn Lee

Variational autoencoders (VAEs) are widely used deep generative models capable of learning unsupervised latent representations of data. Such representations are often difficult to interpret or control. We consider the problem of…

Machine Learning · Computer Science 2018-12-18 Jack Klys , Jake Snell , Richard Zemel
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