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Feature learning with deep models has achieved impressive results for both data representation and classification for various vision tasks. Deep feature learning, however, typically requires a large amount of training data, which may not be…
Advanced microscopy and/or spectroscopy tools play indispensable role in nanoscience and nanotechnology research, as it provides rich information about the growth mechanism, chemical compositions, crystallography, and other important…
Transfer learning (TL) leverages previously obtained knowledge to learn new tasks efficiently and has been used to train deep learning (DL) models with limited amount of data. When TL is applied to DL, pretrained (teacher) models are…
The efficient and economical exploitation of polymers with high thermal conductivity is essential to solve the issue of heat dissipation in organic devices. Currently, the experimental preparation of functional thermal conductivity polymers…
Predicting high temperature superconductors has long been a great challenge. A major difficulty is how to predict the transition temperature Tc of superconductors. Recently, progress in material informatics has led to a number of machine…
In order to make accurate predictions of material properties, current machine-learning approaches generally require large amounts of data, which are often not available in practice. In this work, an all-round framework is presented which…
We report an interpretation method for deep learning models that allows us to handle high-dimensional spectral data in materials science. The proposed method uses feature extraction and clustering analysis to categorize materials into…
Serial femtosecond crystallography at X-ray free electron laser facilities opens a new era for the determination of crystal structure. However, the data processing of those experiments is facing unprecedented challenge, because the total…
Achieving high thermoelectric performance requires efficient manipulation of thermal conductivity and a fundamental understanding of the microscopic mechanisms of phonon transport in crystalline solids. One of the major challenges in…
Finding amorphous polymers with higher thermal conductivity is important, as they are ubiquitous in heat transfer applications. With recent progress in material informatics, machine learning approaches have been increasingly adopted for…
Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…
Controlling crystalline material defects is crucial, as they affect properties of the material that may be detrimental or beneficial for the final performance of a device. Defect analysis on the sub-nanometer scale is enabled by…
Deep neural networks have led to a series of breakthroughs in computer vision given sufficient annotated training datasets. For novel tasks with limited labeled data, the prevalent approach is to transfer the knowledge learned in the…
One desired capability for machines is the ability to transfer their knowledge of one domain to another where data is (usually) scarce. Despite ample adaptation of transfer learning in various deep learning applications, we yet do not…
Recent advancements in machine learning have showcased its potential to significantly accelerate the discovery of new materials. Central to this progress is the development of rapidly computable property predictors, enabling the…
Deep learning has raised hopes and expectations as a general solution for many applications; indeed it has proven effective, but it also showed a strong dependence on large quantities of data. Luckily, it has been shown that, even when data…
The widespread dissemination of machine learning tools in science, particularly in astronomy, has revealed the limitation of working with simple single-task scenarios in which any task in need of a predictive model is looked in isolation,…
Meta-Learning is a subarea of Machine Learning that aims to take advantage of prior knowledge to learn faster and with fewer data [1]. There are different scenarios where meta-learning can be applied, and one of the most common is algorithm…
Crystalline defects, such as line-like dislocations, play an important role for the performance and reliability of many metallic devices. Their interaction and evolution still poses a multitude of open questions to materials science and…
One long-standing and crucial issues in the study of quasicrystals has been to identify the physical properties characteristic of quasicrystals. The large positive temperature coefficient of thermal conductivity at temperatures above room…