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Neuromorphic computing has emerged as a promising avenue towards building the next generation of intelligent computing systems. It has been proposed that memristive devices, which exhibit history-dependent conductivity modulation, could…

Can a scientific simulation system be physically consistent, interpretable by design, and scalable across regimes--all at once? Despite decades of progress, this trifecta remains elusive. Classical methods like Kinetic Monte Carlo ensure…

Artificial Intelligence · Computer Science 2025-07-02 Qi Li , Kun Li , Haozhi Han , Honghui Shang , Xinfu He , Yunquan Zhang , Hong An , Ting Cao , Mao Yang

Artificial intelligence (AI) is transforming society, making it crucial to prepare the next generation through AI literacy in K-12 education. However, scalable and reliable AI literacy materials and assessment resources are lacking. To…

Human-Computer Interaction · Computer Science 2024-12-03 Jiayi Wang , Ruiwei Xiao , Ying-Jui Tseng

We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2021)] and their implementation in the open-source package…

This paper presents a novel framework, Artificial Intelligence-Enabled Intelligent Assistant (AIIA), for personalized and adaptive learning in higher education. The AIIA system leverages advanced AI and Natural Language Processing (NLP)…

Artificial Intelligence · Computer Science 2023-09-21 Ramteja Sajja , Yusuf Sermet , Muhammed Cikmaz , David Cwiertny , Ibrahim Demir

Student simulation can support learning-by-teaching pedagogy where human students (as tutors) teach AI-simulated novice students (as tutees). Recent research often relies on prompt engineering with large language models (LLMs) to simulate…

Human-Computer Interaction · Computer Science 2026-03-31 Jiajia Song , Zhihan Guo , Jionghao Lin

Accounting for nuclear quantum effects (NQEs) can significantly alter material properties at finite temperatures. Atomic modeling using the path-integral molecular dynamics (PIMD) method can fully account for such effects, but requires…

Materials Science · Physics 2025-05-21 A. A. Solovykh , N. E. Rybin , I. S. Novikov , A. V. Shapeev

We present QuantumLLMInstruct (QLMMI), an innovative dataset featuring over 500,000 meticulously curated instruction-following problem-solution pairs designed specifically for quantum computing - the largest and most comprehensive dataset…

Quantum Physics · Physics 2024-12-31 Shlomo Kashani

Machine learning (ML) models hold the promise of transforming atomic simulations by delivering quantum chemical accuracy at a fraction of the computational cost. Realization of this potential would enable high-throughout, high-accuracy…

Most materials science datasets are limited to atomic geometries (e.g., XYZ files), restricting their utility for multimodal learning and comprehensive data-centric analysis. These constraints have historically impeded the adoption of…

Machine Learning · Computer Science 2025-07-22 Can Polat , Erchin Serpedin , Mustafa Kurban , Hasan Kurban

With the rapid advancement of mathematical reasoning capabilities in Large Language Models (LLMs), AI systems are increasingly being adopted in educational settings to support students' comprehension of problem-solving processes. However, a…

Computation and Language · Computer Science 2025-12-18 Jaewoo Park , Jungyang Park , Dongju Jang , Jiwan Chung , Byungwoo Yoo , Jaewoo Shin , Seonjoon Park , Taehyeong Kim , Youngjae Yu

The rapid progress in quantum computing (QC) and machine learning (ML) has attracted growing attention, prompting extensive research into quantum machine learning (QML) algorithms to solve diverse and complex problems. Designing…

Quantum Physics · Physics 2025-01-13 Samuel Yen-Chi Chen , Huan-Hsin Tseng , Hsin-Yi Lin , Shinjae Yoo

As a machine-learned potential, the neuroevolution potential (NEP) method features exceptional computational efficiency and has been successfully applied in materials science. Constructing high-quality training datasets is crucial for…

Machine Learning · Computer Science 2025-06-03 Chengbing Chen , Yutong Li , Rui Zhao , Zhoulin Liu , Zheyong Fan , Gang Tang , Zhiyong Wang

Autonomous materials science, where active learning is used to navigate large compositional phase space, has emerged as a powerful vehicle to rapidly explore new materials. A crucial aspect of autonomous materials science is exploring new…

Materials Science · Physics 2026-01-21 Felix Adams , Daiwei Zhu , David W. Steuerman , A. Gilad Kusne , Ichiro Takeuchi

Predictive materials synthesis is the primary bottleneck in realizing new functional and quantum materials. Strategies for synthesis of promising materials are currently identified by time-consuming trial and error approaches and there are…

The effectiveness of Multimodal Chain-of-Thought (MCoT) prompting is often limited by the use of randomly or manually selected examples. These examples fail to account for both model-specific knowledge distributions and the intrinsic…

Computation and Language · Computer Science 2025-10-14 Xinglong Yang , Quan Feng , Zhongying Pan , Xiang Chen , Yu Tian , Wentong Li , Shuofei Qiao , Yuxia Geng , Xingyu Zhao , Sheng-Jun Huang

Quantum computing offers new ways to explore the theory of computation via the laws of quantum mechanics. Due to the rising demand for quantum computing resources, there is growing interest in developing cloud-based quantum resource sharing…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-07 Irwindeep Singh , Sukhpal Singh Gill , Jinzhao Sun , Jan Mol

This piece of research belongs to the field of educational assessment issue based upon the cognitive multimedia theory. Considering that theory; visual and auditory material should be presented simultaneously to reinforce the retention of a…

Neural and Evolutionary Computing · Computer Science 2010-02-26 F. A. Al-Zahrani , H. M. Mustafa , A. Al-Hamadi

In the Noisy Intermediate-Scale Quantum (NISQ) era, using variational quantum algorithms (VQAs) to solve optimization problems has become a key application. However, these algorithms face significant challenges, such as choosing an…

Quantum Physics · Physics 2025-06-13 Junyong Lee , JeiHee Cho , Shiho Kim

Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landscapes generated on current noisy devices. We propose a hybrid…

Emerging Technologies · Computer Science 2025-10-09 Yuqi Zhang , Yuxin Yang , Feixiong Chen , Cheng-Chang Lu , Nima Saeidi , Samuel L. Volchenboum , Junhan Zhao , Siwei Chen , Weiwen Jiang , Qiang Guan