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Deep generative chemistry models emerge as powerful tools to expedite drug discovery. However, the immense size and complexity of the structural space of all possible drug-like molecules pose significant obstacles, which could be overcome…

Quantum Physics · Physics 2023-08-15 A. I. Gircha , A. S. Boev , K. Avchaciov , P. O. Fedichev , A. K. Fedorov

Quantum annealing was originally proposed as an approach for solving combinatorial optimisation problems using quantum effects. D-Wave Systems has released a production model of quantum annealing hardware. However, the inherent noise and…

Disordered Systems and Neural Networks · Physics 2021-03-16 Takehito Sato , Masayuki Ohzeki , Kazuyuki Tanaka

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There…

Quantum Physics · Physics 2023-03-22 Manpreet Singh Jattana , Fengping Jin , Hans De Raedt , Kristel Michielsen

Disentangled representation learning aims to represent the underlying generative factors of a dataset in a latent representation independently of one another. In our work, we propose a discrete variational autoencoder (VAE) based model…

Computer Vision and Pattern Recognition · Computer Science 2025-11-06 Gulcin Baykal , Melih Kandemir , Gozde Unal

Vector Quantized-Variational AutoEncoders (VQ-VAE) are generative models based on discrete latent representations of the data, where inputs are mapped to a finite set of learned embeddings.To generate new samples, an autoregressive prior…

Machine Learning · Statistics 2022-08-04 Max Cohen , Guillaume Quispe , Sylvain Le Corff , Charles Ollion , Eric Moulines

Current state-of-the-art generative approaches frequently rely on a two-stage training procedure, where an autoencoder (often a VAE) first performs dimensionality reduction, followed by training a generative model on the learned latent…

Machine Learning · Statistics 2025-07-15 Gianluigi Silvestri , Luca Ambrogioni

The introduction of quantum concepts is increasingly making its way into generative machine learning models. However, while there are various implementations of quantum Generative Adversarial Networks, the integration of quantum elements…

Deep neural networks with discrete latent variables offer the promise of better symbolic reasoning, and learning abstractions that are more useful to new tasks. There has been a surge in interest in discrete latent variable models, however,…

Machine Learning · Computer Science 2018-07-23 Aurko Roy , Ashish Vaswani , Arvind Neelakantan , Niki Parmar

Deep Learning algorithms, such as those used in Reinforcement Learning, often require large quantities of data to train effectively. In most cases, the availability of data is not a significant issue. However, for some contexts, such as in…

Quantum Physics · Physics 2024-09-02 Daniel Kent , Clement O'Rourke , Jake Southall , Kirsty Duncan , Adrian Bedford

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

Quantum annealing is a promising paradigm for building practical quantum computers. Compared to other approaches, quantum annealing technology has been scaled up to a larger number of qubits. On the other hand, deep learning has been…

Quantum Physics · Physics 2021-07-07 Michele Sasdelli , Tat-Jun Chin

The vector quantization is a widely used method to map continuous representation to discrete space and has important application in tokenization for generative mode, bottlenecking information and many other tasks in machine learning. Vector…

Machine Learning · Computer Science 2024-10-15 Mingyuan Yan , Jiawei Wu , Rushi Shah , Dianbo Liu

In this paper we demonstrate methods for reliable and efficient training of discrete representation using Vector-Quantized Variational Auto-Encoder models (VQ-VAEs). Discrete latent variable models have been shown to learn nontrivial…

Quantum machine learning has the potential to provide powerful algorithms for artificial intelligence. The pursuit of quantum advantage in quantum machine learning is an active area of research. For current noisy, intermediate-scale quantum…

Quantum Physics · Physics 2023-05-11 Rui Yang , Samuel Bosch , Bobak Kiani , Seth Lloyd , Adrian Lupascu

Machine learning has been presented as one of the key applications for near-term quantum technologies, given its high commercial value and wide range of applicability. In this work, we introduce the \textit{quantum-assisted Helmholtz…

Quantum Physics · Physics 2018-05-24 Marcello Benedetti , John Realpe-Gómez , Alejandro Perdomo-Ortiz

Generative modeling has seen a rising interest in both classical and quantum machine learning, and it represents a promising candidate to obtain a practical quantum advantage in the near term. In this study, we build over a proposed…

Quantum Physics · Physics 2025-07-31 Mohamed Hibat-Allah , Marta Mauri , Juan Carrasquilla , Alejandro Perdomo-Ortiz

Hybrid algorithms that combine quantum and classical resources have become commonplace in quantum computing. The variational quantum eigensolver (VQE) is routinely used to solve prototype problems. Currently, hybrid algorithms use no more…

Quantum Physics · Physics 2024-08-27 Manpreet Singh Jattana

Quantum physics experiments produce interesting phenomena such as interference or entanglement, which are core properties of numerous future quantum technologies. The complex relationship between the setup structure of a quantum experiment…

Machine Learning · Computer Science 2022-07-04 Daniel Flam-Shepherd , Tony Wu , Xuemei Gu , Alba Cervera-Lierta , Mario Krenn , Alan Aspuru-Guzik

Deep generative learning cannot only be used for generating new data with statistical characteristics derived from input data but also for anomaly detection, by separating nominal and anomalous instances based on their reconstruction…

In Deep Learning, a well-known approach for training a Deep Neural Network starts by training a generative Deep Belief Network model, typically using Contrastive Divergence (CD), then fine-tuning the weights using backpropagation or other…

Quantum Physics · Physics 2015-10-22 Steven H. Adachi , Maxwell P. Henderson