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Molecules have a number of distinct properties whose importance and application vary. Often, in reality, labels for some properties are hard to achieve despite their practical importance. A common solution to such data scarcity is to use…

Machine Learning · Computer Science 2024-10-02 Chanhui Lee , Dae-Woong Jeong , Sung Moon Ko , Sumin Lee , Hyunseung Kim , Soorin Yim , Sehui Han , Sungwoong Kim , Sungbin Lim

Inverse medium scattering is an ill-posed, nonlinear wave-based imaging problem arising in medical imaging, remote sensing, and non-destructive testing. Machine learning (ML) methods offer increased inference speed and flexibility in…

Computational Physics · Physics 2025-12-12 Olivia Tsang , Owen Melia , Vasileios Charisopoulos , Jeremy Hoskins , Yuehaw Khoo , Rebecca Willett

We investigate the use of deep convolutional neural networks (deep CNNs) for automatic visual detection of galaxy mergers. Moreover, we investigate the use of transfer learning in conjunction with CNNs, by retraining networks first trained…

Instrumentation and Methods for Astrophysics · Physics 2018-06-13 Sandro Ackermann , Kevin Schawinski , Ce Zhang , Anna K. Weigel , M. Dennis Turp

Transfer learning is beneficial for survival analysis, especially when the target study has a limited number of events. However, existing transfer learning methods rely on the restrictive assumption that the target and source studies share…

Methodology · Statistics 2026-03-13 Yu Gu , Donglin Zeng , D. Y. Lin

We investigate the application of deep learning to the retrieval of the internuclear distance in the two-dimensional H$_2^{+}$ molecule from the momentum distribution of photoelectrons produced by strong-field ionization. We study the…

Atomic Physics · Physics 2023-03-29 N. I. Shvetsov-Shilovski , M. Lein

In this work we propose simple, effective and computationally efficient transfer learning approaches for structure-property relation predictions in the context of materials, with highly informative input from different modalities. As…

Materials Science · Physics 2024-12-11 Dario Massa , Grzegorz Kaszuba , Stefanos Papanikolaou , Piotr Sankowski

Transfer learning is a standard technique to improve performance on tasks with limited data. However, for medical imaging, the value of transfer learning is less clear. This is likely due to the large domain mismatch between the usual…

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

Two widely used techniques for training supervised machine learning models on small datasets are Active Learning and Transfer Learning. The former helps to optimally use a limited budget to label new data. The latter uses large pre-trained…

Machine Learning · Computer Science 2021-01-28 Nicolas M. Müller , Konstantin Böttinger

Computer-aided detection aims to improve breast cancer screening programs by helping radiologists to evaluate digital mammography (DM) exams. DM exams are generated by devices from different vendors, with diverse characteristics between and…

Computer Vision and Pattern Recognition · Computer Science 2018-08-16 Joris van Vugt , Elena Marchiori , Ritse Mann , Albert Gubern-Mérida , Nikita Moriakov , Jonas Teuwen

Malignant melanoma is the deadliest form of skin cancer and, in recent years, is rapidly growing in terms of the incidence worldwide rate. The most effective approach to targeted treatment is early diagnosis. Deep learning algorithms,…

Image and Video Processing · Electrical Eng. & Systems 2020-09-21 Mario Manzo , Simone Pellino

Muons interact with matter via two major interaction mechanisms: ionization and radioactive process, and multiple Coulomb scattering leading to energy loss and trajectory deflection, respectively. For a monoenergetic muon beam crossing an…

Instrumentation and Detectors · Physics 2018-08-24 Zhengzhi Liu

Adversarial learning has been successfully embedded into deep networks to learn transferable features, which reduce distribution discrepancy between the source and target domains. Existing domain adversarial networks assume fully shared…

Machine Learning · Computer Science 2017-07-26 Zhangjie Cao , Mingsheng Long , Jianmin Wang , Michael I. Jordan

In many real applications of statistical learning, collecting sufficiently many training data is often expensive, time-consuming, or even unrealistic. In this case, a transfer learning approach, which aims to leverage knowledge from a…

Machine Learning · Statistics 2025-02-26 Baozhen Wang , Xingye Qiao

We develop new transfer learning algorithms to accelerate prediction of material properties from ab initio simulations based on density functional theory (DFT). Transfer learning has been successfully utilized for data-efficient modeling in…

Computational Physics · Physics 2020-07-01 Schuyler Krawczuk , Daniele Venturi

Stochastic microstructure reconstruction has become an indispensable part of computational materials science, but ongoing developments are specific to particular material systems. In this paper, we address this generality problem by…

Materials Science · Physics 2018-05-09 Xiaolin Li , Yichi Zhang , He Zhao , Craig Burkhart , L Catherine Brinson , Wei Chen

Crystal graph neural networks are widely applicable in modeling experimentally synthesized compounds and hypothetical materials with unknown synthesizability. In contrast, structure-agnostic predictive algorithms allow exploring previously…

Materials Science · Physics 2025-11-06 Ivan Rubtsov , Ivan Dudakov , Yuri Kuratov , Vadim Korolev

Machine learning has emerged as a new tool in chemistry to bypass expensive experiments or quantum-chemical calculations, for example, in high-throughput screening applications. However, many machine learning studies rely on small data…

Machine Learning · Computer Science 2024-10-15 Thorren Kirschbaum , Annika Bande

Machine learning enables powerful cosmological inference but typically requires many high-fidelity simulations covering many cosmological models. Transfer learning offers a way to reduce the simulation cost by reusing knowledge across…

Cosmology and Nongalactic Astrophysics · Physics 2025-10-23 Veena Krishnaraj , Adrian E. Bayer , Christian Kragh Jespersen , Peter Melchior

The simulation of nanophotonic structures relies on electromagnetic solvers, which play a crucial role in understanding their behavior. However, these solvers often come with a significant computational cost, making their application in…

Machine Learning · Computer Science 2024-05-22 Liang Cheng , Prashant Singh , Francesco Ferranti