Deep learning encodes robust discriminative neuroimaging representations to outperform standard machine learning.
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ABSTRACT:
SUBMITTER: Abrol A
PROVIDER: S-EPMC7806588 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:BACKGROUND:The ability to confidently predict health outcomes from gene expression would catalyze a revolution in molecular diagnostics. Yet, the goal of developing actionable, robust, and reproducible predictive signatures of phenotypes such as clinical outcome has not been attained in almost any disease area. Here, we report a comprehensive analysis spanning prediction tasks from ulcerative colitis, atopic dermatitis, diabetes, to many cancer subtypes for a total of 24 binary and multiclass prediction problems and 26 survival analysis tasks. We systematically investigate the influence of gene subsets, normalization methods and prediction algorithms. Crucially, we also explore the novel use of deep representation learning methods on large transcriptomics compendia, such as GTEx and TCGA, to boost the performance of state-of-the-art methods. The resources and findings in this work should serve as both an up-to-date reference on attainable performance, and as a benchmarking resource for further research. RESULTS:Approaches that combine large numbers of genes outperformed single gene methods consistently and with a significant margin, but neither unsupervised nor semi-supervised representation learning techniques yielded consistent improvements in out-of-sample performance across datasets. Our findings suggest that using l2-regularized regression methods applied to centered log-ratio transformed transcript abundances provide the best predictive analyses overall. CONCLUSIONS:Transcriptomics-based phenotype prediction benefits from proper normalization techniques and state-of-the-art regularized regression approaches. In our view, breakthrough performance is likely contingent on factors which are independent of normalization and general modeling techniques; these factors might include reduction of systematic errors in sequencing data, incorporation of other data types such as single-cell sequencing and proteomics, and improved use of prior knowledge.
| S-EPMC7085143 | biostudies-literature
Project description:Obesity is a growing health concern, mainly caused by poor dietary habits. Yet, accurately tracking the diet and food intake of individuals with obesity is challenging. Although 3D motion capture technology is becoming increasingly important in healthcare, its potential for detecting early signs of obesity has not been fully explored. In this research, we used a deep LSTM network trained with individual identity (identity-trained deep LSTM network) to analyze 3D time-series skeleton data from mouse models with diet-induced obesity. First, we analyzed the data from two different viewpoints: allocentric and egocentric. Second, we trained various deep recurrent networks (e.g., RNN, GRU, LSTM) to predict the identity. Lastly, we tested whether these models effectively encode obese-like motion representations by training a support vector classifier with the latent features from the last layer. Our experimental results indicate that the optimal performance is achieved when utilizing an identity-trained deep LSTM network in conjunction with an egocentric viewpoint. This approach suggests a new way to use deep learning to spot health risks in mouse models of obesity and should be useful for detecting early signs of obesity in humans.
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Project description:Biased population samples pose a prevalent problem in the social sciences. Therefore, we present two novel methods that are based on positive-unlabeled learning to mitigate bias. Both methods leverage auxiliary information from a representative data set and train machine learning classifiers to determine the sample weights. The first method, named maximum representative subsampling (MRS), uses a classifier to iteratively remove instances, by assigning a sample weight of 0, from the biased data set until it aligns with the representative one. The second method is a variant of MRS - Soft-MRS - that iteratively adapts sample weights instead of removing samples completely. To assess the effectiveness of our approach, we induced artificial bias in a public census data set and examined the corrected estimates. We compare the performance of our methods against existing techniques, evaluating the ability of sample weights created with Soft-MRS or MRS to minimize differences and improve downstream classification tasks. Lastly, we demonstrate the applicability of the proposed methods in a real-world study of resilience research, exploring the influence of resilience on voting behavior. Through our work, we address the issue of bias in social science, amongst others, and provide a versatile methodology for bias reduction based on machine learning. Based on our experiments, we recommend to use MRS for downstream classification tasks and Soft-MRS for downstream tasks where the relative bias of the dependent variable is relevant.
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Project description:Humans possess an exceptional aptitude to efficiently make decisions from high-dimensional sensory observations. However, it is unknown how the brain compactly represents the current state of the environment to guide this process. The deep Q-network (DQN) achieves this by capturing highly nonlinear mappings from multivariate inputs to the values of potential actions. We deployed DQN as a model of brain activity and behavior in participants playing three Atari video games during fMRI. Hidden layers of DQN exhibited a striking resemblance to voxel activity in a distributed sensorimotor network, extending throughout the dorsal visual pathway into posterior parietal cortex. Neural state-space representations emerged from nonlinear transformations of the pixel space bridging perception to action and reward. These transformations reshape axes to reflect relevant high-level features and strip away information about task-irrelevant sensory features. Our findings shed light on the neural encoding of task representations for decision-making in real-world situations.
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Project description:High-throughput single-cell cytometry technologies have significantly improved our understanding of cellular phenotypes to support translational research and the clinical diagnosis of hematological and immunological diseases. However, subjective and ad hoc manual gating analysis does not adequately handle the increasing volume and heterogeneity of cytometry data for optimal diagnosis. Prior work has shown that machine learning can be applied to classify cytometry samples effectively. However, many of the machine learning classification results are either difficult to interpret without using characteristics of cell populations to make the classification, or suboptimal due to the use of inaccurate cell population characteristics derived from gating boundaries. To date, little has been done to optimize both the gating boundaries and the diagnostic accuracy simultaneously. In this work, we describe a fully discriminative machine learning approach that can simultaneously learn feature representations (e.g., combinations of coordinates of gating boundaries) and classifier parameters for optimizing clinical diagnosis from cytometry measurements. The approach starts from an initial gating position and then refines the position of the gating boundaries by gradient descent until a set of globally-optimized gates across different samples are achieved. The learning procedure is constrained by regularization terms encoding domain knowledge that encourage the algorithm to seek interpretable results. We evaluate the proposed approach using both simulated and real data, producing classification results on par with those generated via human expertise, in terms of both the positions of the gating boundaries and the diagnostic accuracy. © 2019 The Authors. Cytometry Part A published by Wiley Periodicals, Inc. on behalf of International Society for Advancement of Cytometry.
| S-EPMC7079150 | biostudies-literature
Project description:Human cytochrome P450 (CYP450) enzymes play a crucial role in drug metabolism and pharmacokinetics. CYP450 inhibition can lead to toxicity, in particular when drugs are co-administered with other drugs and xenobiotics or in the case of polypharmacy. Predicting CYP450 inhibition is also important for rational drug discovery and development, and precision in drug repurposing. In this overarching context, digital transformation of drug discovery and development, for example, using machine and deep learning approaches, offers prospects for prediction of CYP450 inhibition through computational models. We report here the development of a majority-voting machine learning framework to classify inhibitors and noninhibitors for seven major human liver CYP450 isoforms (CYP1A2, CYP2A6, CYP2B6, CYP2C9, CYP2C19, CYP2D6, and CYP3A4). For the machine learning models reported herein, we employed interaction fingerprints that were derived from molecular docking simulations, thus adding an additional layer of information for protein-ligand interactions. The proposed machine learning framework is based on the structure of the binding site of isoforms to produce predictions beyond previously reported approaches. Also, we carried out a comparative analysis so as to identify which representation of test compounds (molecular descriptors, molecular fingerprints, or protein-ligand interaction fingerprints) affects the predictive performance of the models. This work underlines the ways in which the structure of the enzyme catalytic site influences machine learning predictions and the need for robust frameworks toward better-informed predictions.
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Project description:Archetypes represent extreme manifestations of a population with respect to specific characteristic traits or features. In linear feature space, archetypes approximate the data convex hull allowing all data points to be expressed as convex mixtures of archetypes. As mixing of archetypes is performed directly on the input data, linear Archetypal Analysis requires additivity of the input, which is a strong assumption unlikely to hold e.g. in case of image data. To address this problem, we propose learning an appropriate latent feature space while simultaneously identifying suitable archetypes. We thus introduce a generative formulation of the linear archetype model, parameterized by neural networks. By introducing the distance-dependent archetype loss, the linear archetype model can be integrated into the latent space of a deep variational information bottleneck and an optimal representation, together with the archetypes, can be learned end-to-end. Moreover, the information bottleneck framework allows for a natural incorporation of arbitrarily complex side information during training. As a consequence, learned archetypes become easily interpretable as they derive their meaning directly from the included side information. Applicability of the proposed method is demonstrated by exploring archetypes of female facial expressions while using multi-rater based emotion scores of these expressions as side information. A second application illustrates the exploration of the chemical space of small organic molecules. By using different kinds of side information we demonstrate how identified archetypes, along with their interpretation, largely depend on the side information provided. Supplementary Information The online version contains supplementary material available at 10.1007/s11263-020-01390-3.
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Project description:Manual identification of brain tumors is an error-prone and tedious process for radiologists; therefore, it is crucial to adopt an automated system. The binary classification process, such as malignant or benign is relatively trivial; whereas, the multimodal brain tumors classification (T1, T2, T1CE, and Flair) is a challenging task for radiologists. Here, we present an automated multimodal classification method using deep learning for brain tumor type classification. The proposed method consists of five core steps. In the first step, the linear contrast stretching is employed using edge-based histogram equalization and discrete cosine transform (DCT). In the second step, deep learning feature extraction is performed. By utilizing transfer learning, two pre-trained convolutional neural network (CNN) models, namely VGG16 and VGG19, were used for feature extraction. In the third step, a correntropy-based joint learning approach was implemented along with the extreme learning machine (ELM) for the selection of best features. In the fourth step, the partial least square (PLS)-based robust covariant features were fused in one matrix. The combined matrix was fed to ELM for final classification. The proposed method was validated on the BraTS datasets and an accuracy of 97.8%, 96.9%, 92.5% for BraTs2015, BraTs2017, and BraTs2018, respectively, was achieved.
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Project description:Deep learning methods have recently made notable advances in the tasks of classification and representation learning. These tasks are important for brain imaging and neuroscience discovery, making the methods attractive for porting to a neuroimager's toolbox. Success of these methods is, in part, explained by the flexibility of deep learning models. However, this flexibility makes the process of porting to new areas a difficult parameter optimization problem. In this work we demonstrate our results (and feasible parameter ranges) in application of deep learning methods to structural and functional brain imaging data. These methods include deep belief networks and their building block the restricted Boltzmann machine. We also describe a novel constraint-based approach to visualizing high dimensional data. We use it to analyze the effect of parameter choices on data transformations. Our results show that deep learning methods are able to learn physiologically important representations and detect latent relations in neuroimaging data.
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Project description:This perspective paper proposes a new adversarial training method based on large-scale pre-trained models to achieve state-of-the-art adversarial robustness on ImageNet.
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