1,733 research outputs found
MUST-CNN: A Multilayer Shift-and-Stitch Deep Convolutional Architecture for Sequence-based Protein Structure Prediction
Predicting protein properties such as solvent accessibility and secondary
structure from its primary amino acid sequence is an important task in
bioinformatics. Recently, a few deep learning models have surpassed the
traditional window based multilayer perceptron. Taking inspiration from the
image classification domain we propose a deep convolutional neural network
architecture, MUST-CNN, to predict protein properties. This architecture uses a
novel multilayer shift-and-stitch (MUST) technique to generate fully dense
per-position predictions on protein sequences. Our model is significantly
simpler than the state-of-the-art, yet achieves better results. By combining
MUST and the efficient convolution operation, we can consider far more
parameters while retaining very fast prediction speeds. We beat the
state-of-the-art performance on two large protein property prediction datasets.Comment: 8 pages ; 3 figures ; deep learning based sequence-sequence
prediction. in AAAI 201
Deep Learning for Genomics: A Concise Overview
Advancements in genomic research such as high-throughput sequencing
techniques have driven modern genomic studies into "big data" disciplines. This
data explosion is constantly challenging conventional methods used in genomics.
In parallel with the urgent demand for robust algorithms, deep learning has
succeeded in a variety of fields such as vision, speech, and text processing.
Yet genomics entails unique challenges to deep learning since we are expecting
from deep learning a superhuman intelligence that explores beyond our knowledge
to interpret the genome. A powerful deep learning model should rely on
insightful utilization of task-specific knowledge. In this paper, we briefly
discuss the strengths of different deep learning models from a genomic
perspective so as to fit each particular task with a proper deep architecture,
and remark on practical considerations of developing modern deep learning
architectures for genomics. We also provide a concise review of deep learning
applications in various aspects of genomic research, as well as pointing out
potential opportunities and obstacles for future genomics applications.Comment: Invited chapter for Springer Book: Handbook of Deep Learning
Application
TopologyNet: Topology based deep convolutional neural networks for biomolecular property predictions
Although deep learning approaches have had tremendous success in image, video
and audio processing, computer vision, and speech recognition, their
applications to three-dimensional (3D) biomolecular structural data sets have
been hindered by the entangled geometric complexity and biological complexity.
We introduce topology, i.e., element specific persistent homology (ESPH), to
untangle geometric complexity and biological complexity. ESPH represents 3D
complex geometry by one-dimensional (1D) topological invariants and retains
crucial biological information via a multichannel image representation. It is
able to reveal hidden structure-function relationships in biomolecules. We
further integrate ESPH and convolutional neural networks to construct a
multichannel topological neural network (TopologyNet) for the predictions of
protein-ligand binding affinities and protein stability changes upon mutation.
To overcome the limitations to deep learning arising from small and noisy
training sets, we present a multitask topological convolutional neural network
(MT-TCNN). We demonstrate that the present TopologyNet architectures outperform
other state-of-the-art methods in the predictions of protein-ligand binding
affinities, globular protein mutation impacts, and membrane protein mutation
impacts.Comment: 20 pages, 8 figures, 5 table
DeepFrag-k: A Fragment-Based Deep Learning Approach for Protein Fold Recognition
Background: One of the most essential problems in structural bioinformatics is protein fold recognition. In this paper, we design a novel deep learning architecture, so-called DeepFrag-k, which identifies fold discriminative features at fragment level to improve the accuracy of protein fold recognition. DeepFrag-k is composed of two stages: the first stage employs a multi-modal Deep Belief Network (DBN) to predict the potential structural fragments given a sequence, represented as a fragment vector, and then the second stage uses a deep convolutional neural network (CNN) to classify the fragment vector into the corresponding fold.
Results: Our results show that DeepFrag-k yields 92.98% accuracy in predicting the top-100 most popular fragments, which can be used to generate discriminative fragment feature vectors to improve protein fold recognition.
Conclusions: There is a set of fragments that can serve as structural ākeywordsā distinguishing between major protein folds. The deep learning architecture in DeepFrag-k is able to accurately identify these fragments as structure features to improve protein fold recognition
Machine Learning Methods for Medical and Biological Image Computing
Medical and biological imaging technologies provide valuable visualization information of structure and function for an organ from the level of individual molecules to the whole object. Brain is the most complex organ in body, and it increasingly attracts intense research attentions with the rapid development of medical and bio-logical imaging technologies. A massive amount of high-dimensional brain imaging data being generated makes the design of computational methods for eļ¬cient analysis on those images highly demanded. The current study of computational methods using hand-crafted features does not scale with the increasing number of brain images, hindering the pace of scientiļ¬c discoveries in neuroscience. In this thesis, I propose computational methods using high-level features for automated analysis of brain images at diļ¬erent levels. At the brain function level, I develop a deep learning based framework for completing and integrating multi-modality neuroimaging data, which increases the diagnosis accuracy for Alzheimerās disease. At the cellular level, I propose to use three dimensional convolutional neural networks (CNNs) for segmenting the volumetric neuronal images, which improves the performance of digital reconstruction of neuron structures. I design a novel CNN architecture such that the model training and testing image prediction can be implemented in an end-to-end manner. At the molecular level, I build a voxel CNN classiļ¬er to capture discriminative features of the input along three spatial dimensions, which facilitate the identiļ¬cation of secondary structures of proteins from electron microscopy im-ages. In order to classify genes speciļ¬cally expressed in diļ¬erent brain cell-type, I propose to use invariant image feature descriptors to capture local gene expression information from cellular-resolution in situ hybridization images. I build image-level representations by applying regularized learning and vector quantization on generated image descriptors. The developed computational methods in this dissertation are evaluated using images from medical and biological experiments in comparison with baseline methods. Experimental results demonstrate that the developed representations, formulations, and algorithms are eļ¬ective and eļ¬cient in learning from brain imaging data
- ā¦