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Sampling configurations at thermodynamic equilibrium is a central challenge in statistical physics. Boltzmann Generators (BGs) tackle it by combining a generative model with a Monte Carlo (MC) correction step to obtain asymptotically…

Machine Learning · Statistics 2026-01-30 Louis Grenioux , Maxence Noble

We present a differentiable formalism for learning free energies that is capable of capturing arbitrarily complex model dependencies on coarse-grained coordinates and finite-temperature response to variation of general system parameters.…

Computational Physics · Physics 2024-05-31 Blake R. Duschatko , Xiang Fu , Cameron Owen , Yu Xie , Albert Musaelian , Tommi Jaakkola , Boris Kozinsky

For multivariate co-generation in scientific applications, we advocate pairwise block rather than joint modeling of all variables. This design mitigates the computational burden and data imbalance. To this end, we propose an Annealed…

Machine Learning · Computer Science 2026-03-10 Hantao Zhang , Jieke Wu , Mingda Xu , Xiao Hu , Yingxuan You , Pascal Fua

Conventional generative models for materials discovery are predominantly trained and validated using data from Density Functional Theory (DFT) with approximate exchange-correlation functionals. This creates a fundamental bottleneck: these…

Artificial Intelligence · Computer Science 2026-04-30 Mahule Roy

Quantum annealing is a continuous-time heuristic quantum algorithm for solving or approximately solving classical optimization problems. The algorithm uses a schedule to interpolate between a driver Hamiltonian with an easy-to-prepare…

The optimal use of quantum and classical computational techniques together is important to address problems that cannot be easily solved by quantum computations alone. This is the case of the ground state problem for quantum many-body…

Quantum Physics · Physics 2022-05-03 Patrick Huembeli , Giuseppe Carleo , Antonio Mezzacapo

Transcription factors regulate gene expression, but how these proteins recognize and specifically bind to their DNA targets is still debated. Machine learning models are effective means to reveal interaction mechanisms. Here we studied the…

Quantum Physics · Physics 2018-03-02 Richard Y. Li , Rosa Di Felice , Remo Rohs , Daniel A. Lidar

In this work, we introduce a learning model designed to meet the needs of applications in which computational resources are limited, and robustness and interpretability are prioritized. Learning problems can be formulated as constrained…

Systems and Control · Electrical Eng. & Systems 2025-09-26 Christos Mavridis , John Baras

Quantum annealing allows for quantum fluctuations to be used used to assist in finding the solution to some of the worlds most challenging computational problems. Recently, this field has attracted much interest because of the construction…

Quantum Physics · Physics 2022-07-26 Nicholas Chancellor

Generative modeling, which learns joint probability distribution from data and generates samples according to it, is an important task in machine learning and artificial intelligence. Inspired by probabilistic interpretation of quantum…

Statistical Mechanics · Physics 2018-07-20 Zhao-Yu Han , Jun Wang , Heng Fan , Lei Wang , Pan Zhang

Learning generative models is challenging for a network edge node with limited data and computing power. Since tasks in similar environments share model similarity, it is plausible to leverage pre-trained generative models from the cloud or…

Machine Learning · Computer Science 2021-01-25 Mehmet Dedeoglu , Sen Lin , Zhaofeng Zhang , Junshan Zhang

Existing methods for multi-modal time series representation learning aim to disentangle the modality-shared and modality-specific latent variables. Although achieving notable performances on downstream tasks, they usually assume an…

Machine Learning · Computer Science 2024-05-28 Ruichu Cai , Zhifang Jiang , Zijian Li , Weilin Chen , Xuexin Chen , Zhifeng Hao , Yifan Shen , Guangyi Chen , Kun Zhang

Recent advancements in quantum technologies have opened new horizons for exploring the physical world in ways once deemed impossible. Central to these breakthroughs is the concept of quantum advantage, where quantum systems outperform their…

We demonstrate the feasibility of framing a classically learned deep neural network as an energy based model that can be processed on a one-step quantum annealer in order to exploit fast sampling times. We propose approaches to overcome two…

Quantum Physics · Physics 2021-07-20 Catherine F. Higham , Adrian Bedford

Training of neural networks (NNs) has emerged as a major consumer of both computational and energy resources. Quantum computers were coined as a root to facilitate training, but no experimental evidence has been presented so far. Here we…

Quantum Physics · Physics 2025-12-02 Hao Zhang , Alex Kamenev

Disentanglement is a useful property in representation learning which increases the interpretability of generative models such as Variational autoencoders (VAE), Generative Adversarial Models, and their many variants. Typically in such…

Machine Learning · Computer Science 2022-05-31 Arun Pandey , Michael Fanuel , Joachim Schreurs , Johan A. K. Suykens

While knowledge representation and reasoning are considered the keys for human-level artificial intelligence, connectionist networks have been shown successful in a broad range of applications due to their capacity for robust learning and…

Artificial Intelligence · Computer Science 2018-05-30 Son N. Tran

Quantum Boltzmann machines (QBMs) are machine-learning models for both classical and quantum data. We give an operational definition of QBM learning in terms of the difference in expectation values between the model and target, taking into…

Quantum Physics · Physics 2025-02-13 Luuk Coopmans , Marcello Benedetti

In disentangled representation learning, a model is asked to tease apart a dataset's underlying sources of variation and represent them independently of one another. Since the model is provided with no ground truth information about these…

Machine Learning · Computer Science 2023-10-24 Kyle Hsu , Will Dorrell , James C. R. Whittington , Jiajun Wu , Chelsea Finn

Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…

Chemical Physics · Physics 2021-10-29 Manas Sajjan , Shree Hari Sureshbabu , Sabre Kais