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Pretrained Foundation Models (PFMs) have transformed numerous applications by enabling efficient adaptation to customized tasks. Parameter-Efficient Fine-Tuning (PEFT) has emerged as a resource-efficient alternative to full fine-tuning,…

Machine Learning · Computer Science 2025-06-16 Baoquan Zhang , Guangning Xu , Michael. K. Ng

An efficient multi-mode quantum memory is a crucial resource for long-distance quantum communication based on quantum repeaters. We propose a quantum memory based on spectral shaping of an inhomogeneously broadened optical transition into…

Quantum Physics · Physics 2013-05-29 Mikael Afzelius , Christoph Simon , Hugues de Riedmatten , Nicolas Gisin

Traditional foundation models are pre-trained on broad datasets to reduce the training resources (e.g., time, energy, labeled samples) needed for fine-tuning a wide range of downstream tasks. However, traditional foundation models struggle…

Machine Learning · Computer Science 2025-04-24 Majid Farhadloo , Arun Sharma , Mingzhou Yang , Bharat Jayaprakash , William Northrop , Shashi Shekhar

Foundation models (FMs) have shown transformative potential in radiology by performing diverse, complex tasks across imaging modalities. Here, we developed CT-FM, a large-scale 3D image-based pre-trained model designed explicitly for…

Image and Video Processing · Electrical Eng. & Systems 2025-02-27 Suraj Pai , Ibrahim Hadzic , Dennis Bontempi , Keno Bressem , Benjamin H. Kann , Andriy Fedorov , Raymond H. Mak , Hugo J. W. L. Aerts

Machine learning force fields (MLFFs) have revolutionized molecular simulations by providing quantum mechanical accuracy at the speed of molecular mechanical computations. However, a fundamental reliance of these models on fixed-cutoff…

Chemical Physics · Physics 2026-01-08 Chu Wang , Lin Huang , Xinran Wei , Tao Qin , Arthur Jiang , Lixue Cheng , Jia Zhang

Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it…

Large-scale atomistic simulations are essential to bridge computational materials and chemistry to realistic materials and drug discovery applications. In the past few years, rapid developments of machine learning interatomic potentials…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-03 Kevin Han , Bowen Deng , Amir Barati Farimani , Gerbrand Ceder

Foundation models have significantly advanced medical image analysis through the pre-train fine-tune paradigm. Among various fine-tuning algorithms, Parameter-Efficient Fine-Tuning (PEFT) is increasingly utilized for knowledge transfer…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Raman Dutt , Linus Ericsson , Pedro Sanchez , Sotirios A. Tsaftaris , Timothy Hospedales

Accelerated molecular dynamics (MD) simulations are implemented to model the sliding process of AFM experiments at speeds close to those found in experiment. In this study the hyperdynamics method, originally devised to extend MD time…

Materials Science · Physics 2015-05-14 Woo Kyun Kim , Michael L. Falk

The advances in fabrication processes in different material platforms employed in integrated optics are opening the path towards the implementation of circuits with increasing degree of complexity. In addition to the more conventional…

Applied Physics · Physics 2018-10-24 Daniel Perez , Jose Capmany

The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required to construct viable functional forms and…

Computational Physics · Physics 2019-06-26 Mitchell A. Wood , Mary Alice Cusentino , Brian D. Wirth , Aidan P. Thompson

The development of tabular foundation models (TFMs) has accelerated in recent years, showing strong potential to outperform traditional ML methods for structured data. A key finding is that TFMs can be pretrained entirely on synthetic…

Machine Learning · Computer Science 2025-12-04 Matthew Peroni , Franck Le , Vadim Sheinin

Atomic partial charges are crucial parameters in molecular dynamics (MD) simulation, dictating the electrostatic contributions to intermolecular energies, and thereby the potential energy landscape. Traditionally, the assignment of partial…

Machine Learning · Computer Science 2024-05-09 Yuanqing Wang , Iván Pulido , Kenichiro Takaba , Benjamin Kaminow , Jenke Scheen , Lily Wang , John D. Chodera

Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…

Brain foundation models (BFMs) have emerged as a transformative paradigm in computational neuroscience, offering a revolutionary framework for processing diverse neural signals across different brain-related tasks. These models leverage…

Machine Learning · Computer Science 2025-07-22 Xinliang Zhou , Chenyu Liu , Zhisheng Chen , Kun Wang , Yi Ding , Ziyu Jia , Qingsong Wen

Advancements in machine learning for molecular property prediction have improved accuracy but at the expense of higher computational cost and longer training times. Recently, the Joint Multi-domain Pre-training (JMP) foundation model has…

Machine Learning · Computer Science 2025-04-29 Yasir Ghunaim , Andrés Villa , Gergo Ignacz , Gyorgy Szekely , Motasem Alfarra , Bernard Ghanem

Foundation Models (FMs) have revolutionized machine learning with their adaptability and high performance across tasks; yet, their integration into Federated Learning (FL) is challenging due to substantial communication overhead from their…

Machine Learning · Computer Science 2023-11-30 Vasileios Tsouvalas , Yuki Asano , Aaqib Saeed

Simulations at the atomic scale provide a direct and effective way to understand the mechanical properties of materials. In the regime of classical mechanics, simulations for the thermodynamic properties of metals and alloys can be done by…

Computational Physics · Physics 2019-11-05 Ka-Ming Tam , Nicholas Walker , Samuel Kellar , Mark Jarrell

Time resolution is one of the most severe limitations of scanning probe microscopies (SPMs), since the typical image acquisition times are in the order of several seconds or even few minutes. As a consequence, the characterization of…

One-shot subset selection serves as an effective tool to reduce deep learning training costs by identifying an informative data subset based on the information extracted by an information extractor (IE). Traditional IEs, typically…

Computer Vision and Pattern Recognition · Computer Science 2025-06-30 Zhijing Wan , Zhixiang Wang , Zheng Wang , Xin Xu , Shin'ichi Satoh