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Machine learning (ML) techniques and atomistic modeling have rapidly transformed materials design and discovery. Specifically, generative models can swiftly propose promising materials for targeted applications. However, the predicted…

Computational Physics · Physics 2023-11-10 Gang Seob Jung , Sangkeun Lee , Jong Youl Choi

Machine-learned interatomic potentials are revolutionising atomistic materials simulations by providing accurate and scalable predictions within the scope covered by the training data. However, generation of an accurate and robust training…

Materials Science · Physics 2025-07-30 Mariia Radova , Wojciech G. Stark , Connor S. Allen , Reinhard J. Maurer , Albert P. Bartók

Dataset distillation aims to distill the knowledge of a large-scale real dataset into small yet informative synthetic data such that a model trained on it performs as well as a model trained on the full dataset. Despite recent progress,…

Computer Vision and Pattern Recognition · Computer Science 2024-11-21 Ahmad Sajedi , Samir Khaki , Lucy Z. Liu , Ehsan Amjadian , Yuri A. Lawryshyn , Konstantinos N. Plataniotis

The foundation model (FM) paradigm is transforming Machine Learning Force Fields (MLFFs), leveraging general-purpose representations and scalable training to perform a variety of computational chemistry tasks. Although MLFF FMs have begun…

Chemical Physics · Physics 2025-02-03 Ishan Amin , Sanjeev Raja , Aditi Krishnapriyan

As deep learning models grow in complexity and the volume of training data increases, reducing storage and computational costs becomes increasingly important. Dataset distillation addresses this challenge by synthesizing a compact set of…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Zhe Li , Sarah Cechnicka , Cheng Ouyang , Katharina Breininger , Peter Schüffler , Bernhard Kainz

We present a distilled multi-time-step (DMTS) strategy to accelerate molecular dynamics simulations using foundation neural network models. DMTS uses a dual-level neural network where the target accurate potential is coupled to a simpler…

Histopathology can help clinicians make accurate diagnoses, determine disease prognosis, and plan appropriate treatment strategies. As deep learning techniques prove successful in the medical domain, the primary challenges become limited…

Computer Vision and Pattern Recognition · Computer Science 2024-07-11 Zhe Li , Bernhard Kainz

Model distillation aims to distill the knowledge of a complex model into a simpler one. In this paper, we consider an alternative formulation called dataset distillation: we keep the model fixed and instead attempt to distill the knowledge…

Machine Learning · Computer Science 2020-02-26 Tongzhou Wang , Jun-Yan Zhu , Antonio Torralba , Alexei A. Efros

Model compression and knowledge distillation have been successfully applied for cross-architecture and cross-domain transfer learning. However, a key requirement is that training examples are in correspondence across the domains. We show…

Computer Vision and Pattern Recognition · Computer Science 2017-08-30 Jong-Chyi Su , Subhransu Maji

Given the power of large language and large vision models, it is of profound and fundamental interest to ask if a foundational model based on data and parameter scaling laws and pre-training strategies is possible for learned simulations of…

Neural network potentials (NNPs) offer a powerful alternative to traditional force fields for molecular dynamics (MD) simulations. Accurate and stable MD simulations, crucial for evaluating material properties, require training data…

Machine Learning · Computer Science 2025-06-23 Naoki Matsumura , Yuta Yoshimoto , Yuto Iwasaki , Meguru Yamazaki , Yasufumi Sakai

Deploying medical image segmentation models in routine clinical workflows is often constrained by on-premises infrastructure, where computational resources are fixed and cloud-based inference may be restricted by governance and security…

Computer Vision and Pattern Recognition · Computer Science 2026-01-15 Qizhen Lan , Aaron Choi , Jun Ma , Bo Wang , Zhaogming Zhao , Xiaoqian Jiang , Yu-Chun Hsu

With the rapid scaling of neural networks, data storage and communication demands have intensified. Dataset distillation has emerged as a promising solution, condensing information from extensive datasets into a compact set of synthetic…

Computer Vision and Pattern Recognition · Computer Science 2024-12-09 Ali Abbasi , Shima Imani , Chenyang An , Gayathri Mahalingam , Harsh Shrivastava , Maurice Diesendruck , Hamed Pirsiavash , Pramod Sharma , Soheil Kolouri

Dataset distillation, a pragmatic approach in machine learning, aims to create a smaller synthetic dataset from a larger existing dataset. However, existing distillation methods primarily adopt a model-based paradigm, where the synthetic…

Machine Learning · Computer Science 2024-02-21 Binglin Zhou , Linhao Zhong , Wentao Chen

Large Genomic Foundation Models have recently achieved remarkable results and in-vivo translation capabilities. However these models quickly grow to over a few Billion of parameters and are expensive to run when compute is limited. To…

Machine Learning · Computer Science 2026-04-13 Rasched Haidari , Sam Martin , Maxime Allard

Techniques such as ensembling and distillation promise model quality improvements when paired with almost any base model. However, due to increased test-time cost (for ensembles) and increased complexity of the training pipeline (for…

Machine Learning · Computer Science 2020-08-24 Rohan Anil , Gabriel Pereyra , Alexandre Passos , Robert Ormandi , George E. Dahl , Geoffrey E. Hinton

Dataset Distillation aims to distill an entire dataset's knowledge into a few synthetic images. The idea is to synthesize a small number of synthetic data points that, when given to a learning algorithm as training data, result in a model…

Computer Vision and Pattern Recognition · Computer Science 2023-05-05 George Cazenavette , Tongzhou Wang , Antonio Torralba , Alexei A. Efros , Jun-Yan Zhu

Knowledge distillation involves transferring the predictive capabilities of large, high-performing AI models (teachers) to smaller models (students) that can operate in environments with limited computing power. In this paper, we address…

Machine Learning · Computer Science 2026-01-12 Pattarawat Chormai , Ali Hashemi , Klaus-Robert Müller , Grégoire Montavon

Structured prediction models aim at solving a type of problem where the output is a complex structure, rather than a single variable. Performing knowledge distillation for such models is not trivial due to their exponentially large output…

Machine Learning · Computer Science 2022-03-10 Wenye Lin , Yangming Li , Lemao Liu , Shuming Shi , Hai-tao Zheng

We introduce a lightweight universal machine-learning interatomic potential (uMLIP), SevenNet-Nano, based on the graph neural network architecture SevenNet and enabled by a knowledge-distillation framework. The model inherits the broad…

Materials Science · Physics 2026-04-14 Sangmin Oh , Jinmu You , Jaesun Kim , Jiho Lee , Hyungmin An , Seungwu Han , Youngho Kang
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