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The rapid advancements in quantum computing (QC) and machine learning (ML) have sparked significant interest, driving extensive exploration of quantum machine learning (QML) algorithms to address a wide range of complex challenges. The…

量子物理 · 物理学 2025-05-27 Samuel Yen-Chi Chen , Huan-Hsin Tseng , Hsin-Yi Lin , Shinjae Yoo

Artificial intelligence (AI) is reshaping computational and network biology by enabling new approaches to decode cellular communication networks. We introduce Hierarchical Molecular Language Models (HMLMs), a novel framework that models…

分子网络 · 定量生物学 2025-12-16 Hasi Hays , Yue Yu , William J. Richardson

Quantum machine learning is an approach that aims to improve the performance of machine learning methods by leveraging the properties of quantum computers. In quantum circuit learning (QCL), a supervised learning method that can be…

Quantum Machine Learning (QML) presents as a revolutionary approach to weather forecasting by using quantum computing to improve predictive modeling capabilities. In this study, we apply QML models, including Quantum Gated Recurrent Units…

量子物理 · 物理学 2025-09-15 Saiyam Sakhuja , Shivanshu Siyanwal , Abhishek Tiwari , Britant , Savita Kashyap

Clinical decision support systems require models that are not only highly accurate but also equitable and sensitive to the implications of missed diagnoses. In this study, we introduce a knowledge-guided in-context learning (ICL) framework…

机器学习 · 计算机科学 2025-07-28 Fatemeh Nazary , Yashar Deldjoo , Tommaso Di Noia , Eugenio di Sciascio

Contemporary quantum computing platforms remain, in essence, programmable physical systems whose control is typically mediated through unitary gate abstractions. While such abstractions provide a uniform interface, they obscure important…

Causal reasoning is viewed as crucial for achieving human-level machine intelligence. Recent advances in language models have expanded the horizons of artificial intelligence across various domains, sparking inquiries into their potential…

计算与语言 · 计算机科学 2024-05-02 Sirui Chen , Bo Peng , Meiqi Chen , Ruiqi Wang , Mengying Xu , Xingyu Zeng , Rui Zhao , Shengjie Zhao , Yu Qiao , Chaochao Lu

This paper proposes a new approach to Machine Learning (ML) that focuses on unsupervised continuous context-dependent learning of complex patterns. Although the proposal is partly inspired by some of the current knowledge about the…

神经与进化计算 · 计算机科学 2024-05-07 Valentin Puente Varona

ML is playing an increasingly crucial role in estimating causal effects of treatments on outcomes from observational data. Many ML methods (`causal estimators') have been proposed for this task. All of these methods, as with any ML…

机器学习 · 计算机科学 2025-10-06 Damian Machlanski , Spyridon Samothrakis , Paul Clarke

Generalisation in machine learning often relies on the ability to encode structures present in data into an inductive bias of the model class. To understand the power of quantum machine learning, it is therefore crucial to identify the…

量子物理 · 物理学 2023-04-19 Joseph Bowles , Victoria J Wright , Máté Farkas , Nathan Killoran , Maria Schuld

Increasingly deeper integration of HPC resources and QPUs unveils new challenges in computer architecture and engineering. As a consequence, dependability arises again as a concern encompassing resilience, reproducibility and security. The…

量子物理 · 物理学 2026-03-10 Santiago Núñez-Corrales

Quantum Machine Learning (QML) models are aimed at learning from data encoded in quantum states. Recently, it has been shown that models with little to no inductive biases (i.e., with no assumptions about the problem embedded in the model)…

We propose a hybrid meta-learning framework for forecasting and anomaly detection in nonlinear dynamical systems characterized by nonstationary and stochastic behavior. The approach integrates a physics-inspired simulator that captures…

机器学习 · 计算机科学 2025-06-18 Abdullah Burkan Bereketoglu

The identification and use of structure property relationships lies at the heart of the chemical sciences. Quantum mechanics forms the basis for the unbiased virtual exploration of chemical compound space (CCS), imposing substantial compute…

化学物理 · 物理学 2019-11-01 Anders S. Christensen , O. Anatole von Lilienfeld

The importance of analyzing nontrivial datasets when testing quantum machine learning (QML) models is becoming increasingly prominent in literature, yet a cohesive framework for understanding dataset characteristics remains elusive. In this…

量子物理 · 物理学 2025-08-28 Alona Sakhnenko , Christian B. Mendl , Jeanette M. Lorenz

Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

化学物理 · 物理学 2025-11-12 Yanxian Tao , Lingyun Wan , Xiongzhi Zeng , Yingdi Jin , Jie Liu , Zhenyu Li , Jinlong Yang

It is known that the classical framework of causal models is not general enough to allow for causal reasoning about quantum systems. While the framework has been generalized in a variety of different ways to the quantum case, much of this…

量子物理 · 物理学 2020-11-23 Jonathan Barrett , Robin Lorenz , Ognyan Oreshkov

Quantum machine learning (QML) as combination of quantum computing with machine learning (ML) is a promising direction to explore, in particular due to the advances in realizing quantum computers and the hoped-for quantum advantage. A field…

Modeling long-range dependencies in sequential data remains a central challenge in machine learning. Transformers address this challenge through attention mechanisms, but their quadratic complexity with respect to sequence length limits…

机器学习 · 计算机科学 2026-05-14 Hoang-Quan Nguyen , Sankalp Pandey , Khoa Luu

Causal models provide rich descriptions of complex systems as sets of mechanisms by which each variable is influenced by its direct causes. They support reasoning about manipulating parts of the system and thus hold promise for addressing…

机器学习 · 计算机科学 2024-06-21 Julius von Kügelgen