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Artificial neural networks have been proposed as potential algorithms that could benefit from being implemented and run on quantum computers. In particular, they hold promise to greatly enhance Artificial Intelligence tasks, such as image…

Quantum Physics · Physics 2021-03-04 Stefano Mangini , Francesco Tacchino , Dario Gerace , Chiara Macchiavello , Daniele Bajoni

Quantum algorithms provide a potential strategy for solving computational problems that are intractable by classical means. Computing the topological invariants of topological matter is one central problem in research on quantum materials,…

Quantum Physics · Physics 2024-12-18 Marcel Niedermeier , Marc Nairn , Christian Flindt , Jose L. Lado

We present the first implementation of text-level quantum natural language processing, a field where quantum computing and AI have found a fruitful intersection. We focus on the QDisCoCirc model, which is underpinned by a compositional…

Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have…

Machine Learning · Computer Science 2025-10-07 Cheng Xin , Fan Xu , Xin Ding , Jie Gao , Jiaxin Ding

Adopting Convolutional Neural Networks (CNNs) in the daily routine of primary diagnosis requires not only near-perfect precision, but also a sufficient degree of generalization to data acquisition shifts and transparency. Existing CNN…

Computer Vision and Pattern Recognition · Computer Science 2023-06-22 Mara Graziani , Sebastian Otalora , Stephane Marchand-Maillet , Henning Muller , Vincent Andrearczyk

With the continue development of Convolutional Neural Networks (CNNs), there is a growing concern regarding representations that they encode internally. Analyzing these internal representations is referred to as model interpretation. While…

Computer Vision and Pattern Recognition · Computer Science 2023-05-18 Hamed Behzadi-Khormouji , José Oramas

Learning-based predictive control is a promising alternative to optimization-based MPC. However, efficiently learning the optimal control policy, the optimal value function, or the Q-function requires suitable function approximators. Often,…

Systems and Control · Electrical Eng. & Systems 2023-04-14 Dieter Teichrib , Moritz Schulze Darup

This paper discusses the limitations of machine learning (ML), particularly deep artificial neural networks (ANNs), which are effective at approximating complex functions but often lack transparency and explanatory power. It highlights the…

Machine Learning · Computer Science 2024-01-18 Udesh Habaraduwa

The reasonable definition of semantic interpretability presents the core challenge in explainable AI. This paper proposes a method to modify a traditional convolutional neural network (CNN) into an interpretable compositional CNN, in order…

Computer Vision and Pattern Recognition · Computer Science 2021-07-12 Wen Shen , Zhihua Wei , Shikun Huang , Binbin Zhang , Jiaqi Fan , Ping Zhao , Quanshi Zhang

The landscape of condensed matter physics is facing an unprecedented data surge driven by high-throughput ab initio workflows and rapidly expanding experimental datasets. Traditional first-principles methods such as Density Functional…

Mesoscale and Nanoscale Physics · Physics 2026-04-20 Mahyar Hassani-Vasmejani , Hosein Alavi-Rad , Meysam Bagheri Tagani

A data-driven approach called CaNN (Calibration Neural Network) is proposed to calibrate financial asset price models using an Artificial Neural Network (ANN). Determining optimal values of the model parameters is formulated as training…

Computational Finance · Quantitative Finance 2020-02-03 Shuaiqiang Liu , Anastasia Borovykh , Lech A. Grzelak , Cornelis W. Oosterlee

Using machine learning (ML) to recognize different phases of matter and to infer the entire phase diagram has proven to be an effective tool given a large dataset. In our previous proposals, we have successfully explored phase transitions…

Statistical Mechanics · Physics 2023-07-12 Ming-Chiang Chung , Guang-Yu Huang , Ian P. McCulloch , Yuan-Hong Tsai

With the rise of deep neural networks for quantum chemistry applications, there is a pressing need for architectures that, beyond delivering accurate predictions of chemical properties, are readily interpretable by researchers. Here, we…

Computational Physics · Physics 2018-06-28 Kristof T. Schütt , Michael Gastegger , Alexandre Tkatchenko , Klaus-Robert Müller

The recent advances in machine learning algorithms have boosted the application of these techniques to the field of condensed matter physics, in order e.g. to classify the phases of matter at equilibrium or to predict the real-time dynamics…

Superconductivity · Physics 2023-03-16 Simone Tibaldi , Giuseppe Magnifico , Davide Vodola , Elisa Ercolessi

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Tensor networks were developed in the context of many-body physics as compressed representations of multiparticle quantum states. These representations mitigate the exponential complexity of many-body systems by capturing only the most…

Machine Learning · Computer Science 2026-04-17 Guillermo Valverde , Igor García-Olaizola , Giannicola Scarpa , Alejandro Pozas-Kerstjens

Deep learning models are widely used for various industrial and scientific applications. Even though these models have achieved considerable success in recent years, there exists a lack of understanding of the rationale behind decisions…

Machine Learning · Computer Science 2020-07-08 Swapnil Nitin Shah

Topologically ordered states are among the most interesting quantum phases of matter that host emergent quasi-particles having fractional charge and obeying fractional quantum statistics. Theoretical study of such states is however…

Mesoscale and Nanoscale Physics · Physics 2026-05-29 Ahmed Abouelkomsan , Max Geier , Liang Fu

Machine-learning techniques are evolving into a subsidiary tool for studying phase transitions in many-body systems. However, most studies are tied to situations involving only one phase transition and one order parameter. Systems that…

Statistical Mechanics · Physics 2019-03-20 Ke Liu , Jonas Greitemann , Lode Pollet

We propose a novel method that trains a conditional Generative Adversarial Network (GAN) to generate visual interpretations of a Convolutional Neural Network (CNN). To comprehend a CNN, the GAN is trained with information on how the CNN…

Computer Vision and Pattern Recognition · Computer Science 2023-11-10 R T Akash Guna , Raul Benitez , O K Sikha