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Machine learning applied to computer vision and signal processing is achieving results comparable to the human brain on specific tasks due to the great improvements brought by the deep neural networks (DNN). The majority of state-of-the-art…
Quantum noise is conventionally viewed as a fundamental obstacle in near-term quantum computing, motivating extensive error correction and mitigation strategies. We present numerical evidence that challenges this consensus. Through…
We propose an approach for learning probability distributions as differentiable quantum circuits (DQC) that enable efficient quantum generative modelling (QGM) and synthetic data generation. Contrary to existing QGM approaches, we perform…
High-throughput approximations of quantum mechanics calculations and combinatorial experiments have been traditionally used to reduce the search space of possible molecules, drugs and materials. However, the interplay of structural and…
Classification models are expected to perform equally well for different classes, yet in practice, there are often large gaps in their performance. This issue of class bias is widely studied in cases of datasets with sample imbalance, but…
A central question in machine learning is how reliable the predictions of a trained model are. Reliability includes the identification of instances for which a model is likely not to be trusted based on an analysis of the learning system…
Feature selection is a technique in statistical prediction modeling that identifies features in a record with a strong statistical connection to the target variable. Excluding features with a weak statistical connection to the target…
Variational quantum circuits are increasingly studied as continuous-function approximators, but quantum regression remains difficult to train when global losses, finite-shot stochasticity, and circuit-depth growth combine to produce weak or…
Disorder in condensed matter and atomic physics is responsible for a great variety of fascinating quantum phenomena, which are still challenging for understanding, not to mention the relevant dynamical control. Here we introduce proof of…
Current quantum computers suffer from non-stationary noise channels with high error rates, which undermines their reliability and reproducibility. We propose a Bayesian inference-based adaptive algorithm that can learn and mitigate quantum…
Spectral bias, the tendency of neural networks to learn low frequencies first, can be both a blessing and a curse. While it enhances the generalization capabilities by suppressing high-frequency noise, it can be a limitation in scientific…
The widespread success of deep neural networks has revealed a surprise in classical machine learning: very complex models often generalize well while simultaneously overfitting training data. This phenomenon of benign overfitting has been…
With the increasing penetration of renewable energy, frequency response and its security are of significant concerns for reliable power system operations. Frequency-constrained unit commitment (FCUC) is proposed to address this challenge.…
Uncertainty quantification (UQ) is important for reliability assessment and enhancement of machine learning models. In deep learning, uncertainties arise not only from data, but also from the training procedure that often injects…
Currently available quantum hardware allows for small scale implementations of quantum machine learning algorithms. Such experiments aid the search for applications of quantum computers by benchmarking the near-term feasibility of candidate…
Binding energy is a fundamental thermodynamic property that governs molecular interactions, playing a crucial role in fields such as healthcare and the natural sciences. It is particularly relevant in drug development, vaccine design, and…
In a conventional circuit for quantum machine learning, the quantum gates used to encode the input parameters and the variational parameters are constructed with a fixed order. The resulting output function, which can be expressed in the…
We propose an effective approach to rapid estimation of the energy spectrum of quantum systems with the use of machine learning (ML) algorithm. In the ML approach (back propagation), the wavefunction data known from experiments is…
Material training is a method to endow materials with specific responses through external driving. We study the complexity of attainable responses, as expressed in the number of sites that are simultaneously controlled. With increased…
Current quantum systems have significant limitations affecting the processing of large datasets with high dimensionality, typical of high energy physics. In the present paper, feature and data prototype selection techniques were studied to…