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Machine-learning models are increasingly used to predict properties of atoms in chemical systems. There have been major advances in developing descriptors and regression frameworks for this task, typically starting from (relatively) small…

Chemical Physics · Physics 2022-11-30 John L. A. Gardner , Zoé Faure Beaulieu , Volker L. Deringer

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…

High Energy Physics - Phenomenology · Physics 2023-12-18 Miguel Caçador Peixoto , Nuno Filipe Castro , Miguel Crispim Romão , Maria Gabriela Jordão Oliveira , Inês Ochoa

Large language models (LLMs) have demonstrated remarkable performance across a wide range of tasks and domains, with data playing a central role in enabling these advances. Despite this success, the preparation and effective utilization of…

Computation and Language · Computer Science 2026-03-17 Hao Liang , Zhengyang Zhao , Zhaoyang Han , Meiyi Qiang , Xiaochen Ma , Bohan Zeng , Qifeng Cai , Zhiyu Li , Linpeng Tang , Weinan E , Wentao Zhang

A fault-tolerant quantum computation requires an efficient means to detect and correct errors that accumulate in encoded quantum information. In the context of machine learning, neural networks are a promising new approach to quantum error…

Quantum Physics · Physics 2018-02-01 P. Baireuther , T. E. O'Brien , B. Tarasinski , C. W. J. Beenakker

The increasing capabilities of Machine Learning (ML) models go hand in hand with an immense amount of data and computational power required for training. Therefore, training is usually outsourced into HPC facilities, where we have started…

Machine Learning · Computer Science 2025-01-28 Sabrina Herbst , Vincenzo De Maio , Ivona Brandic

Efficient characterization of quantum devices is a significant challenge critical for the development of large scale quantum computers. We consider an experimentally motivated situation, in which we have a decent estimate of the…

Quantum Physics · Physics 2021-04-12 Przemyslaw Bienias , Alireza Seif , Mohammad Hafezi

Language models have demonstrated remarkable performance in solving reasoning tasks; however, even the strongest models still occasionally make reasoning mistakes. Recently, there has been active research aimed at improving reasoning…

Computation and Language · Computer Science 2024-08-30 Tian Ye , Zicheng Xu , Yuanzhi Li , Zeyuan Allen-Zhu

Quantum kernel methods promise enhanced expressivity for learning structured data, but their usefulness has been limited by kernel concentration and barren plateaus. Both effects are mathematically equivalent and suppress trainability. We…

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Materials Science · Physics 2024-05-15 Bartosz Barzdajn , Christopher P. Race

In recent times, there has been much interest in quantum enhancements of machine learning, specifically in the context of data mining and analysis. Reinforcement learning, an interactive form of learning, is, in turn, vital in artificial…

Quantum Physics · Physics 2018-11-22 Vedran Dunjko , Jacob M. Taylor , Hans J. Briegel

Variational quantum algorithms, a class of quantum heuristics, are promising candidates for the demonstration of useful quantum computation. Finding the best way to amplify the performance of these methods on hardware is an important task.…

Quantum Physics · Physics 2019-08-09 Max Wilson , Sam Stromswold , Filip Wudarski , Stuart Hadfield , Norm M. Tubman , Eleanor Rieffel

The information plane (Tishby et al. arXiv:physics/0004057, Shwartz-Ziv et al. arXiv:1703.00810) has been proposed as an analytical tool for studying the learning dynamics of neural networks. It provides quantitative insight on how the…

Quantum Physics · Physics 2024-11-05 Nathan Haboury , Mo Kordzanganeh , Alexey Melnikov , Pavel Sekatski

Deep Neural Networks are well known for efficiently fitting training data, yet experiencing poor generalization capabilities whenever some kind of bias dominates over the actual task labels, resulting in models learning "shortcuts". In…

Machine Learning · Computer Science 2024-08-12 Pietro Morerio , Ruggero Ragonesi , Vittorio Murino

The data used during training in any given application space is directly tied to the performance of the system once deployed. While there are many other factors that go into producing high performance models within machine learning, there…

Machine Learning · Computer Science 2024-06-17 William H. Clark , Alan J. Michaels

Accurate control of quantum states is crucial for quantum computing and other quantum technologies. In the basic scenario, the task is to steer a quantum system towards a target state through a sequence of control operations. Determining…

Quantum Physics · Physics 2024-06-14 Yan Zhu , Tailong Xiao , Guihua Zeng , Giulio Chiribella , Ya-Dong Wu

In many machine learning for healthcare tasks, standard datasets are constructed by amassing data across many, often fundamentally dissimilar, sources. But when does adding more data help, and when does it hinder progress on desired model…

Machine Learning · Computer Science 2024-08-09 Judy Hanwen Shen , Inioluwa Deborah Raji , Irene Y. Chen

Tabular data is prevalent in real-world machine learning applications, and new models for supervised learning of tabular data are frequently proposed. Comparative studies assessing the performance of models typically consist of…

Machine Learning · Computer Science 2024-12-19 Andrej Tschalzev , Sascha Marton , Stefan Lüdtke , Christian Bartelt , Heiner Stuckenschmidt

Almost all the state-of-the-art neural networks for computer vision tasks are trained by (1) pre-training on a large-scale dataset and (2) finetuning on the target dataset. This strategy helps reduce dependence on the target dataset and…

Computer Vision and Pattern Recognition · Computer Science 2021-11-22 Shuvam Chakraborty , Burak Uzkent , Kumar Ayush , Kumar Tanmay , Evan Sheehan , Stefano Ermon

Quantum algorithms have the potential to enhance machine learning across a variety of domains and applications. In this work, we show how quantum machine learning can be used to improve financial forecasting. First, we use classical and…

Statistical Finance · Quantitative Finance 2024-04-05 Sohum Thakkar , Skander Kazdaghli , Natansh Mathur , Iordanis Kerenidis , André J. Ferreira-Martins , Samurai Brito

Graph structures are ubiquitous throughout the natural sciences. Here we consider graph-structured quantum data and describe how to carry out its quantum machine learning via quantum neural networks. In particular, we consider training data…

Quantum Physics · Physics 2021-03-22 Kerstin Beer , Megha Khosla , Julius Köhler , Tobias J. Osborne