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Artificial intelligence and machine learning have been widely adopted both in the industry and in everyday life, but at the cost of high compute demands. Recent studies show that implementing machine learning in physical systems in the deep…
Optimization problems is one of the most challenging applications of quantum computers, as well as one of the most relevants. As a consequence, it has attracted huge efforts to obtain a speedup over classical algorithms using quantum…
Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
We present several quantum algorithms for performing nearest-neighbor learning. At the core of our algorithms are fast and coherent quantum methods for computing distance metrics such as the inner product and Euclidean distance. We prove…
In the current era, known as Noisy Intermediate-Scale Quantum (NISQ), encoding large amounts of data in the quantum devices is challenging and the impact of noise significantly affects the quality of the obtained results. A viable approach…
The high dimensionality of hyperspectral images often imposes a heavy computational burden for image processing. Therefore, dimensionality reduction is often an essential step in order to remove the irrelevant, noisy and redundant bands.…
Optimal measurement is required to obtain the quantum and classical correlations of a quantum state, and the crucial difficulty is how to acquire the maximal information about one system by measuring the other part; in other words, getting…
Predicting the three-dimensional (3D) structure of a protein from its primary sequence of amino acids is known as the protein folding (PF) problem. Due to the central role of proteins' 3D structures in chemistry, biology and medicine…
Machine learning methods have revolutionized the discovery process of new molecules and materials. However, the intensive training process of neural networks for molecules with ever-increasing complexity has resulted in exponential growth…
Particle image velocimetry (PIV) is essential in experimental fluid dynamics. In the current work, we propose a new velocity field estimation paradigm, which achieves a synergetic combination of the deep learning method and the traditional…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
Recent technological advances may lead to the development of small scale quantum computers capable of solving problems that cannot be tackled with classical computers. A limited number of algorithms has been proposed and their relevance to…
The hybrid quantum-classical learning scheme provides a prominent way to achieve quantum advantages on near-term quantum devices. A concrete example towards this goal is the quantum neural network (QNN), which has been developed to…
Several variational quantum circuit approaches to machine learning have been proposed in recent years, with one promising class of variational algorithms involving tensor networks operating on states resulting from local feature maps. In…
Efficient encoding of electronic operators into qubits is essential for quantum chemistry simulations. The majority of methods map single electron states to qubits, effectively handling electron interactions. Alternatively, pairs of…
Quantum circuits with hierarchical structure have been used to perform binary classification of classical data encoded in a quantum state. We demonstrate that more expressive circuits in the same family achieve better accuracy and can be…
Reliable pulsar candidate ranking requires probability estimates that are not only discriminative but also well calibrated. We evaluate hybrid quantum-calssical logistic regression on the imbalanced HTRU-2 dataset using three quantum…
We propose a hybrid quantum-classical approximate optimization algorithm for photonic quantum computing, specifically tailored for addressing continuous-variable optimization problems. Inspired by counterdiabatic protocols, our algorithm…
In collider physics experiments, particle identification (PID), i. e. the identification of the charged particle species in the detector is usually one of the most crucial tools in data analysis. In the past decade, machine learning…