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Property prediction is a fundamental task in crystal material research. To model atoms and structures, structures represented as graphs are widely used and graph learning-based methods have achieved significant progress. Bond angles and…

机器学习 · 计算机科学 2024-01-23 Jiao Huang , Qianli Xing , Jinglong Ji , Bo Yang

Classifying the state of the atmosphere into a finite number of large-scale circulation regimes is a popular way of investigating teleconnections, the predictability of severe weather events, and climate change. Here, we investigate a…

机器学习 · 计算机科学 2022-05-02 Andreas Holm Nielsen , Alexandros Iosifidis , Henrik Karstoft

The models and weights of prior trained Convolutional Neural Networks (CNN) created to perform automated isotopic classification of time-sequenced gamma-ray spectra, were utilized to provide source domain knowledge as training on new…

数据分析、统计与概率 · 物理学 2020-03-25 Eric T. Moore , Johanna L. Turk , William P. Ford , Nathan J. Hoteling , Lance S. McLean

When it comes to the classification of brain signals in real-life applications, the training and the prediction data are often described by different distributions. Furthermore, diverse data sets, e.g., recorded from various subjects or…

Modern computer vision models have proven to be highly useful for medical imaging classification and segmentation tasks, but the scarcity of medical imaging data often limits the efficacy of models trained from scratch. Transfer learning…

计算机视觉与模式识别 · 计算机科学 2025-08-27 Daniel Frees , Moritz Bolling , Aditri Bhagirath

Convolution Neural Networks on Graphs are important generalization and extension of classical CNNs. While previous works generally assumed that the graph structures of samples are regular with unified dimensions, in many applications, they…

机器学习 · 计算机科学 2017-08-17 Ruoyu Li , Junzhou Huang

Application of artificial intelligence (AI) has been ubiquitous in the growth of research in the areas of basic sciences. Frequent use of machine learning (ML) and deep learning (DL) based methodologies by researchers has resulted in…

材料科学 · 物理学 2024-09-10 Shrimon Mukherjee , Madhusudan Ghosh , Partha Basuchowdhuri

Transfer learning refers to the process of adapting a model trained on a source task to a target task. While kernel methods are conceptually and computationally simple machine learning models that are competitive on a variety of tasks, it…

机器学习 · 计算机科学 2022-11-02 Adityanarayanan Radhakrishnan , Max Ruiz Luyten , Neha Prasad , Caroline Uhler

In this project, competition-winning deep neural networks with pretrained weights are used for image-based gender recognition and age estimation. Transfer learning is explored using both VGG19 and VGGFace pretrained models by testing the…

计算机视觉与模式识别 · 计算机科学 2018-11-20 Philip Smith , Cuixian Chen

Data-centric methods have shown great potential in understanding and predicting spatiotemporal dynamics, enabling better design and control of the object system. However, deep learning models often lack interpretability, fail to obey…

机器学习 · 计算机科学 2025-01-07 Yuan Mi , Pu Ren , Hongteng Xu , Hongsheng Liu , Zidong Wang , Yike Guo , Ji-Rong Wen , Hao Sun , Yang Liu

Existing defects in software components is unavoidable and leads to not only a waste of time and money but also many serious consequences. To build predictive models, previous studies focus on manually extracting features or using tree…

软件工程 · 计算机科学 2018-02-15 Anh Viet Phan , Minh Le Nguyen , Lam Thu Bui

Hyper-spectral images are images captured from a satellite that gives spatial and spectral information of specific region.A Hyper-spectral image contains much more number of channels as compared to a RGB image, hence containing more…

计算机视觉与模式识别 · 计算机科学 2022-06-22 Uphar Singh , Tushar Musale , Ranjana Vyas , O. P. Vyas

Ensuring proper generalization is a critical challenge in applying data-driven methods for solving inverse problems in imaging, as neural networks reconstructing an image must perform well across varied datasets and acquisition geometries.…

图像与视频处理 · 电气工程与系统科学 2025-11-18 Emilien Valat , Ozan Öktem

Accurate prediction of the properties of crystalline materials is crucial for targeted discovery, and this prediction is increasingly done with data-driven models. However, for many properties of interest, the number of materials for which…

机器学习 · 计算机科学 2024-09-02 Alexander New , Nam Q. Le , Michael J. Pekala , Christopher D. Stiles

The application of deep learning-based architecture has seen a tremendous rise in recent years. For example, medical image classification using deep learning achieved breakthrough results. Convolutional Neural Networks (CNNs) are…

计算机视觉与模式识别 · 计算机科学 2024-10-23 Ganga Prasad Basyal , David Zeng , Bhaskar Pm Rimal

Graph Neural Networks have rapidly advanced in materials science and chemistry,with their performance critically dependent on comprehensive representations of crystal or molecular structures across five dimensions: elemental information,…

材料科学 · 物理学 2025-09-09 Hongwei Du , Hong Wang

This paper introduces Graph Convolutional Recurrent Network (GCRN), a deep learning model able to predict structured sequences of data. Precisely, GCRN is a generalization of classical recurrent neural networks (RNN) to data structured by…

机器学习 · 统计学 2016-12-23 Youngjoo Seo , Michaël Defferrard , Pierre Vandergheynst , Xavier Bresson

The pre-training paradigm fine-tunes the models trained on large-scale datasets to downstream tasks with enhanced performance. It transfers all knowledge to downstream tasks without discriminating which part is necessary or unnecessary,…

机器学习 · 计算机科学 2024-01-17 Fu Feng , Jing Wang , Xin Geng

We develop and test new machine learning strategies for accelerating molecular crystal structure ranking and crystal property prediction using tools from geometric deep learning on molecular graphs. Leveraging developments in graph-based…

材料科学 · 物理学 2024-07-29 Michael Kilgour , Jutta Rogal , Mark Tuckerman

The present paradigm in design and modelling of lattice architected mechanical metamaterials is mostly limited to traditional numerical methods like finite element analysis. Recently, the use of machine learning and artificial intelligence…