相关论文: A perspective on machine learning and data science…

Machine learning (ML) is revolutionizing the world, affecting almost every field of science and industry. Recent algorithms (in particular, deep networks) are increasingly data-hungry, requiring large datasets for training. Thus, the…

Self-learning Monte Carlo method [arXiv:1610.03137, 1611.09364] is a powerful general-purpose numerical method recently introduced to simulate many-body systems. In this work, we implement this method in the framework of determinantal…

The advent of quantum computing has opened new possibilities in data science, offering unique capabilities for addressing complex, data-intensive problems. Traditional machine learning algorithms often face challenges in high-dimensional or…

Solving the quantum-mechanical many-body problem requires scalable computational approaches, which are rooted in a good understanding of the physics of correlated electronic systems. Interacting electrons in a magnetic field display a huge…

Quantum machine learning (QML) is a promising early use case for quantum computing. There has been progress in the last five years from theoretical studies and numerical simulations to proof of concepts. Use cases demonstrated on…

Numerous phenomenological nuclear models have been proposed to describe specific observables within different regions of the nuclear chart. However, developing a unified model that describes the complex behavior of all nuclei remains an…

Simulations of colloidal suspensions consisting of mesoscopic particles and smaller species such as ions or depletants are computationally challenging as different length and time scales are involved. Here, we introduce a machine learning…

Quantum machine learning is a rapidly growing field at the intersection of quantum technology and artificial intelligence. This review provides a two-fold overview of several key approaches that can offer advancements in both the…

In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical supervised learning…

We give a brief discussion of the recently developed Constrained-Path Monte Carlo Method. This method is a quantum Monte Carlo technique that eliminates the fermion sign problem plaguing simulations of systems of interacting electrons. The…

Machine learning (ML) has been pervasively researched nowadays and it has been applied in many aspects of real life. Nevertheless, issues of model and data still accompany the development of ML. For instance, training of traditional ML…

Machine Learning (ML) seems to be one of the most promising solution to automate partially or completely some of the complex tasks currently realized by humans, such as driving vehicles, recognizing voice, etc. It is also an opportunity to…

Three recent breakthroughs due to AI in arts and science serve as motivation: An award winning digital image, protein folding, fast matrix multiplication. Many recent developments in artificial neural networks, particularly deep learning…

The quantum many-electron problem is not just at the heart of condensed matter phenomena, but also essential for first-principles simulation of chemical phenomena. Strong correlation in chemical systems are prevalent and present a…

The entanglement entropy probing novel phases and phase transitions numerically via quantum Monte Carlo has made great achievements in large-scale interacting spin/boson systems. In contrast, the numerical exploration in interacting fermion…

The degrees of freedom that confer to strongly correlated systems their many intriguing properties also render them fairly intractable through typical perturbative treatments. For this reason, the mechanisms responsible for these…

Machine learning has emerged as a significant approach to efficiently tackle electronic structure problems. Despite its potential, there is less guarantee for the model to generalize to unseen data that hinders its application in real-world…

Machine learning is employed at an increasing rate in the research field of quantum chemistry. While the majority of approaches target the investigation of chemical systems in their electronic ground state, the inclusion of light into the…

This Perspective focuses on the several overlaps between quantum algorithms and Monte Carlo methods in the domains of physics and chemistry. We will analyze the challenges and possibilities of integrating established quantum Monte Carlo…

Machine learning is rapidly making its pathway across all of the natural sciences, including physical sciences. The rate at which ML is impacting non-scientific disciplines is incomparable to that in the physical sciences. This is partly…