Hamed Fayyaz, Thao-Ly T Phan, H Timothy Bunnell, Rahmatollah Beheshti
{"title":"Predicting Attrition Patterns from Pediatric Weight Management Programs.","authors":"Hamed Fayyaz, Thao-Ly T Phan, H Timothy Bunnell, Rahmatollah Beheshti","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Obesity is a major public health concern. Multidisciplinary pediatric weight management programs are considered standard treatment for children with obesity who are not able to be successfully managed in the primary care setting. Despite their great potential, high dropout rates (referred to as attrition) are a major hurdle in delivering successful interventions. Predicting attrition patterns can help providers reduce the alarmingly high rates of attrition (up to 80%) by engaging in earlier and more personalized interventions. Previous work has mainly focused on finding static predictors of attrition on smaller datasets and has achieved limited success in effective prediction. In this study, we have collected a five-year comprehensive dataset of 4,550 children from diverse backgrounds receiving treatment at four pediatric weight management programs in the US. We then developed a machine learning pipeline to predict (a) the likelihood of attrition, and (b) the change in body-mass index (BMI) percentile of children, at different time points after joining the weight management program. Our pipeline is greatly customized for this problem using advanced machine learning techniques to process longitudinal data, smaller-size data, and interrelated prediction tasks. The proposed method showed strong prediction performance as measured by AUROC scores (average AUROC of 0.77 for predicting attrition, and 0.78 for predicting weight outcomes).</p>","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"193 ","pages":"326-342"},"PeriodicalIF":0.0,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9854275/pdf/nihms-1865420.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10604379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhiqing Xu, Jinghao Wu, Yun S Song, Radhakrishnan Mahadevan
{"title":"Enzyme Activity Prediction of Sequence Variants on Novel Substrates using Improved Substrate Encodings and Convolutional Pooling.","authors":"Zhiqing Xu, Jinghao Wu, Yun S Song, Radhakrishnan Mahadevan","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Protein engineering is currently being revolutionized by deep learning applications, especially through natural language processing (NLP) techniques. It has been shown that state-of-the-art self-supervised language models trained on entire protein databases capture hidden contextual and structural information in amino acid sequences and are capable of improving sequence-to-function predictions. Yet, recent studies have reported that current compound-protein modeling approaches perform poorly on learning interactions between enzymes and substrates of interest within one protein family. We attribute this to low-grade substrate encoding methods and over-compressed sequence representations received by downstream predictive models. In this study, we propose a new substrate-encoding based on Extended Connectivity Fingerprints (ECFPs) and a convolutional-pooling of the sequence embeddings. Through testing on an activity profiling dataset of haloalkanoate dehalogenase superfamily that measures activities of 218 phosphatases against 168 substrates, we show substantial improvements in predictive performances of compound-protein interaction modeling. In addition, we also test the workflow on three other datasets from the halogenase, kinase and aminotransferase families and show that our pipeline achieves good performance on these datasets as well. We further demonstrate the utility of this downstream model architecture by showing that it achieves good performance with six different protein embeddings, including ESM-1b (Rives et al., 2021), TAPE (Rao et al., 2019), ProtBert, ProtAlbert, ProtT5, and ProtXLNet (Elnaggar et al., 2021). This study provides a new workflow for activity prediction on novel substrates that can be used to engineer new enzymes for sustainability applications.</p>","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"165 ","pages":"78-87"},"PeriodicalIF":0.0,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9759087/pdf/nihms-1842132.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10762656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Antonio Majdandzic, Chandana Rajesh, Amber Tang, Shushan Toneyan, Ethan Labelson, Rohit Tripathy, Peter K Koo
{"title":"Selecting deep neural networks that yield consistent attribution-based interpretations for genomics.","authors":"Antonio Majdandzic, Chandana Rajesh, Amber Tang, Shushan Toneyan, Ethan Labelson, Rohit Tripathy, Peter K Koo","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Deep neural networks (DNNs) have advanced our ability to take DNA primary sequence as input and predict a myriad of molecular activities measured via high-throughput functional genomic assays. Post hoc attribution analysis has been employed to provide insights into the importance of features learned by DNNs, often revealing patterns such as sequence motifs. However, attribution maps typically harbor spurious importance scores to an extent that varies from model to model, even for DNNs whose predictions generalize well. Thus, the standard approach for model selection, which relies on performance of a held-out validation set, does not guarantee that a high-performing DNN will provide reliable explanations. Here we introduce two approaches that quantify the consistency of important features across a population of attribution maps; consistency reflects a qualitative property of human interpretable attribution maps. We employ the consistency metrics as part of a multivariate model selection framework to identify models that yield high generalization performance and interpretable attribution analysis. We demonstrate the efficacy of this approach across various DNNs quantitatively with synthetic data and qualitatively with chromatin accessibility data.</p>","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"200 ","pages":"131-149"},"PeriodicalIF":0.0,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10194041/pdf/nihms-1895253.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9544629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Path Towards Clinical Adaptation of Accelerated MRI.","authors":"Michael S Yao, Michael S Hansen","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Accelerated MRI reconstructs images of clinical anatomies from sparsely sampled signal data to reduce patient scan times. While recent works have leveraged deep learning to accomplish this task, such approaches have often only been explored in simulated environments where there is no signal corruption or resource limitations. In this work, we explore augmentations to neural network MRI image reconstructors to enhance their clinical relevancy. Namely, we propose a ConvNet model for detecting sources of image artifacts that achieves a classifier <i>F</i> <sub><i>2</i></sub> score of 79.1%. We also demonstrate that training reconstructors on MR signal data with variable acceleration factors can improve their average performance during a clinical patient scan by up to 2%. We offer a loss function to overcome catastrophic forgetting when models learn to reconstruct MR images of multiple anatomies and orientations. Finally, we propose a method for using simulated phantom data to pre-train reconstructors in situations with limited clinically acquired datasets and compute capabilities. Our results provide a potential path forward for clinical adaptation of accelerated MRI.</p>","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"193 ","pages":"489-511"},"PeriodicalIF":0.0,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10061571/pdf/nihms-1846161.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9336136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ran Xu, Yue Yu, Chao Zhang, Mohammed K Ali, Joyce C Ho, Carl Yang
{"title":"Counterfactual and Factual Reasoning over Hypergraphs for Interpretable Clinical Predictions on EHR.","authors":"Ran Xu, Yue Yu, Chao Zhang, Mohammed K Ali, Joyce C Ho, Carl Yang","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Electronic Health Record modeling is crucial for digital medicine. However, existing models ignore higher-order interactions among medical codes and their causal relations towards downstream clinical predictions. To address such limitations, we propose a novel framework CACHE, to provide <i>effective</i> and <i>insightful</i> clinical predictions based on hypergraph representation learning and counterfactual and factual reasoning techniques. Experiments on two real EHR datasets show the superior performance of CACHE. Case studies with a domain expert illustrate a preferred capability of CACHE in generating clinically meaningful interpretations towards the correct predictions.</p>","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"193 ","pages":"259-278"},"PeriodicalIF":0.0,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10227831/pdf/nihms-1901945.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9553346","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Automated intracranial vessel labeling with learning boosted by vessel connectivity, radii and spatial context.","authors":"Jannik Sobisch, Žiga Bizjak, Aichi Chien, Žiga Špiclin","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>Cerebrovascular diseases are among the world's top causes of death and their screening and diagnosis rely on angiographic imaging. We focused on automated anatomical labeling of cerebral arteries that enables their cross-sectional quantification and inter-subject comparisons and thereby identification of geometric risk factors correlated to the cerebrovascular diseases. We used 152 cerebral TOF-MRA angiograms from three publicly available datasets and manually created reference labeling using Slicer3D. We extracted centerlines from nnU-net based segmentations using VesselVio and labeled them according to the reference labeling. Vessel centerline coordinates, in combination with additional vessel connectivity, radius and spatial context features were used for training seven distinct PointNet++ models. Model trained solely on the vessel centerline coordinates resulted in ACC of 0.93 and across-labels average TPR was 0.88. Including vessel radius significantly improved ACC to 0.95, and average TPR to 0.91. Finally, focusing spatial context to the Circle of Willis are resulted in best ACC of 0.96 and best average TPR of 0.93. Hence, using vessel radius and spatial context greatly improved vessel labeling, with the attained perfomance opening the avenue for clinical applications of intracranial vessel labeling.</p>","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"194 ","pages":"34-44"},"PeriodicalIF":0.0,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10112880/pdf/nihms-1889674.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9389427","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"An Extensive Data Processing Pipeline for MIMIC-IV.","authors":"Mehak Gupta, Brennan Gallamoza, Nicolas Cutrona, Pranjal Dhakal, Raphael Poulain, Rahmatollah Beheshti","doi":"","DOIUrl":"","url":null,"abstract":"<p><p>An increasing amount of research is being devoted to applying machine learning methods to electronic health record (EHR) data for various clinical purposes. This growing area of research has exposed the challenges of the accessibility of EHRs. MIMIC is a popular, public, and free EHR dataset in a raw format that has been used in numerous studies. The absence of standardized preprocessing steps can be, however, a significant barrier to the wider adoption of this rare resource. Additionally, this absence can reduce the reproducibility of the developed tools and limit the ability to compare the results among similar studies. In this work, we provide a greatly customizable pipeline to extract, clean, and preprocess the data available in the fourth version of the MIMIC dataset (MIMIC-IV). The pipeline also presents an end-to-end wizard-like package supporting predictive model creations and evaluations. The pipeline covers a range of clinical prediction tasks which can be broadly classified into four categories - readmission, length of stay, mortality, and phenotype prediction. The tool is publicly available at https://github.com/healthylaife/MIMIC-IV-Data-Pipeline.</p>","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"193 ","pages":"311-325"},"PeriodicalIF":0.0,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9854277/pdf/nihms-1865425.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10604378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Contrastive Representation Learning for Gaze Estimation","authors":"Swati Jindal, R. Manduchi","doi":"10.48550/arXiv.2210.13404","DOIUrl":"https://doi.org/10.48550/arXiv.2210.13404","url":null,"abstract":"Self-supervised learning (SSL) has become prevalent for learning representations in computer vision. Notably, SSL exploits contrastive learning to encourage visual representations to be invariant under various image transformations. The task of gaze estimation, on the other hand, demands not just invariance to various appearances but also equivariance to the geometric transformations. In this work, we propose a simple contrastive representation learning framework for gaze estimation, named Gaze Contrastive Learning (GazeCLR). GazeCLR exploits multi-view data to promote equivariance and relies on selected data augmentation techniques that do not alter gaze directions for invariance learning. Our experiments demonstrate the effectiveness of GazeCLR for several settings of the gaze estimation task. Particularly, our results show that GazeCLR improves the performance of cross-domain gaze estimation and yields as high as 17.2% relative improvement. Moreover, the GazeCLR framework is competitive with state-of-the-art representation learning methods for few-shot evaluation. The code and pre-trained models are available at https://github.com/jswati31/gazeclr.","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"210 1","pages":"37-49"},"PeriodicalIF":0.0,"publicationDate":"2022-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42458334","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Path Towards Clinical Adaptation of Accelerated MRI","authors":"Michael S. Yao, M. Hansen","doi":"10.48550/arXiv.2208.12835","DOIUrl":"https://doi.org/10.48550/arXiv.2208.12835","url":null,"abstract":"Accelerated MRI reconstructs images of clinical anatomies from sparsely sampled signal data to reduce patient scan times. While recent works have leveraged deep learning to accomplish this task, such approaches have often only been explored in simulated environments where there is no signal corruption or resource limitations. In this work, we explore augmentations to neural network MRI image reconstructors to enhance their clinical relevancy. Namely, we propose a ConvNet model for detecting sources of image artifacts that achieves a classifier F 2 score of 79.1%. We also demonstrate that training reconstructors on MR signal data with variable acceleration factors can improve their average performance during a clinical patient scan by up to 2%. We offer a loss function to overcome catastrophic forgetting when models learn to reconstruct MR images of multiple anatomies and orientations. Finally, we propose a method for using simulated phantom data to pre-train reconstructors in situations with limited clinically acquired datasets and compute capabilities. Our results provide a potential path forward for clinical adaptation of accelerated MRI.","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"193 1","pages":"489-511"},"PeriodicalIF":0.0,"publicationDate":"2022-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42674329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mukund Sudarshan, A. Puli, Wesley Tansey, R. Ranganath
{"title":"DIET: Conditional independence testing with marginal dependence measures of residual information","authors":"Mukund Sudarshan, A. Puli, Wesley Tansey, R. Ranganath","doi":"10.48550/arXiv.2208.08579","DOIUrl":"https://doi.org/10.48550/arXiv.2208.08579","url":null,"abstract":"Conditional randomization tests (CRTs) assess whether a variable x is predictive of another variable y, having observed covariates z. CRTs require fitting a large number of predictive models, which is often computationally intractable. Existing solutions to reduce the cost of CRTs typically split the dataset into a train and test portion, or rely on heuristics for interactions, both of which lead to a loss in power. We propose the decoupled independence test (DIET), an algorithm that avoids both of these issues by leveraging marginal independence statistics to test conditional independence relationships. DIET tests the marginal independence of two random variables: Fx∣z(x∣z) and Fy∣z(y∣z) where F⋅∣z(⋅∣z) is a conditional cumulative distribution function (CDF) for the distribution p(⋅∣z). These variables are termed \"information residuals.\" We give sufficient conditions for DIET to achieve finite sample type-1 error control and power greater than the type-1 error rate. We then prove that when using the mutual information between the information residuals as a test statistic, DIET yields the most powerful conditionally valid test. Finally, we show DIET achieves higher power than other tractable CRTs on several synthetic and real benchmarks.","PeriodicalId":74504,"journal":{"name":"Proceedings of machine learning research","volume":"206 1","pages":"10343-10367"},"PeriodicalIF":0.0,"publicationDate":"2022-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43051329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}