Related papers: Scalable Foundation Interatomic Potentials via Mes…
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,…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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 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…
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…
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…
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…
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…