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Complex prediction models such as deep learning are the output from fitting machine learning, neural networks, or AI models to a set of training data. These are now standard tools in science. A key challenge with the current generation of…

Machine Learning · Computer Science 2022-10-21 Meng Liu , Tamal K. Dey , David F. Gleich

Breast cancer is one of the most serious types of cancer that can occur in women. The automatic diagnosis of breast cancer by analyzing histological images (HIs) is important for patients and their prognosis. The classification of HIs…

Image and Video Processing · Electrical Eng. & Systems 2022-08-02 Hayder A. Khikani , Naira Elazab , Ahmed Elgarayhi , Mohammed Elmogy , Mohammed Sallah

Predicting protein secondary structure is a fundamental problem in protein structure prediction. Here we present a new supervised generative stochastic network (GSN) based method to predict local secondary structure with deep hierarchical…

Quantitative Methods · Quantitative Biology 2014-03-07 Jian Zhou , Olga G. Troyanskaya

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

Deep neural networks have recently achieved state of the art performance thanks to new training algorithms for rapid parameter estimation and new regularization methods to reduce overfitting. However, in practice the network architecture…

Machine Learning · Computer Science 2016-03-04 Minyoung Kim , Luca Rigazio

The brain is likely the most complex organ, given the variety of functions it controls, the number of cells it comprises, and their corresponding diversity. Studying and identifying neurons, the brain's primary building blocks, is a crucial…

Machine Learning · Computer Science 2023-06-02 Ofek Ophir , Orit Shefi , Ofir Lindenbaum

Understanding the morphological changes of primary neuronal cells induced by chemical compounds is essential for drug discovery. Using the data from a single high-throughput imaging assay, a classification model for predicting the…

Image and Video Processing · Electrical Eng. & Systems 2019-09-02 Andrey Kormilitzin , Xinyu Yang , William H. Stone , Caroline Woffindale , Francesca Nicholls , Elena Ribe , Alejo Nevado-Holgado , Noel Buckley

In nature the three-dimensional structure of a protein is encoded in the corresponding gene. In this paper we describe a new method for encoding the three-dimensional structure of a protein into a binary sequence. The feature of the method…

Combinatorics · Mathematics 2007-05-23 Naoto Morikawa

Active deep learning classification of hyperspectral images is considered in this paper. Deep learning has achieved success in many applications, but good-quality labeled samples are needed to construct a deep learning network. It is…

Machine Learning · Computer Science 2016-12-04 Peng Liu , Hui Zhang , Kie B. Eom

Machine-learning models that learn from data to predict how protein sequence encodes function are emerging as a useful protein engineering tool. However, when using these models to suggest new protein designs, one must deal with the vast…

Quantitative Methods · Quantitative Biology 2021-07-07 Brian L. Hie , Kevin K. Yang

We tackle the problem of protein secondary structure prediction using a common task framework. This lead to the introduction of multiple ideas for neural architectures based on state of the art building blocks, used in this task for the…

The deep Convolutional Neural Network (CNN) is the state-of-the-art solution for large-scale visual recognition. Following basic principles such as increasing the depth and constructing highway connections, researchers have manually…

Computer Vision and Pattern Recognition · Computer Science 2017-03-07 Lingxi Xie , Alan Yuille

The Automated Protein Structure Analysis (APSA) method is used for the classification of supersecondary structures. Basis for the classification is the encoding of three-dimensional (3D) residue conformations into a 16-letter code (3D-1D…

Quantitative Methods · Quantitative Biology 2008-11-24 Sushilee Ranganathan , Dmitry Izotov , Elfi Kraka , Dieter Cremer

We present a deep learning approach to the ISIC 2017 Skin Lesion Classification Challenge using a multi-scale convolutional neural network. Our approach utilizes an Inception-v3 network pre-trained on the ImageNet dataset, which is…

Computer Vision and Pattern Recognition · Computer Science 2017-03-07 Terrance DeVries , Dhanesh Ramachandram

Protein structure classification (PSC) uses supervised learning to predict a protein's CATH/SCOP(e) class from the protein's sequence or 3D structural feature(s). We already modeled 3D structures as (static) protein structure networks…

Machine Learning · Computer Science 2026-05-29 Aydin Wells , Francis A. Gatsi , Aaron Striegel , Tijana Milenković

Cellular processes are governed by macromolecular complexes inside the cell. Study of the native structures of macromolecular complexes has been extremely difficult due to lack of data. With recent breakthroughs in Cellular electron cryo…

Quantitative Methods · Quantitative Biology 2018-06-12 Chengqian Che , Ruogu Lin , Xiangrui Zeng , Karim Elmaaroufi , John Galeotti , Min Xu

As in many other scientific domains, we face a fundamental problem when using machine learning to identify proteins from mass spectrometry data: large ground truth datasets mapping inputs to correct outputs are extremely difficult to…

Classification of datasets into two or more distinct classes is an important machine learning task. Many methods are able to classify binary classification tasks with a very high accuracy on test data, but cannot provide any easily…

Machine Learning · Computer Science 2020-08-26 Yashesh Dhebar , Sparsh Gupta , Kalyanmoy Deb

Protein structures are important for understanding their functions and interactions. Currently, many protein structure prediction methods are enriching the structure database. Discriminating the origin of structures is crucial for…

Biomolecules · Quantitative Biology 2024-10-24 Wenrui Gou , Wenhui Ge , Yang Tan , Mingchen Li , Guisheng Fan , Huiqun Yu
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