scholarly journals Week 3–4 Prediction of Wintertime CONUS Temperature Using Machine Learning Techniques

2021 ◽  
Vol 3 ◽  
Author(s):  
Paul Buchmann ◽  
Timothy DelSole
Keyword(s):  
Machine Learning ◽  
Regression Models ◽  
Large Scale ◽  
Climate Model ◽  
Dynamical Model ◽  
Learning Models ◽  
Machine Learning Model ◽  
Climate Model Output ◽  
Machine Learning Models ◽  
Better Than

This paper shows that skillful week 3–4 predictions of a large-scale pattern of 2 m temperature over the US can be made based on the Nino3.4 index alone, where skillful is defined to be better than climatology. To find more skillful regression models, this paper explores various machine learning strategies (e.g., ridge regression and lasso), including those trained on observations and on climate model output. It is found that regression models trained on climate model output yield more skillful predictions than regression models trained on observations, presumably because of the larger training sample. Nevertheless, the skill of the best machine learning models are only modestly better than ordinary least squares based on the Nino3.4 index. Importantly, this fact is difficult to infer from the parameters of the machine learning model because very different parameter sets can produce virtually identical predictions. For this reason, attempts to interpret the source of predictability from the machine learning model can be very misleading. The skill of machine learning models also are compared to those of a fully coupled dynamical model, CFSv2. The results depend on the skill measure: for mean square error, the dynamical model is slightly worse than the machine learning models; for correlation skill, the dynamical model is only modestly better than machine learning models or the Nino3.4 index. In summary, the best predictions of the large-scale pattern come from machine learning models trained on long climate simulations, but the skill is only modestly better than predictions based on the Nino3.4 index alone.

scholarly journals Development of a machine-learning model to assess terminal ileum Endoscopic healing in pediatric Crohn's disease from Magnetic Resonance Enterography data

2021 ◽  
Author(s):  
Itai Guez ◽  
Gili Focht ◽  
Mary-Louise C.Greer ◽  
Ruth Cytter-Kuint ◽  
Li-tal Pratt ◽  
...  
Keyword(s):  
Machine Learning ◽  
Magnetic Resonance ◽  
Linear Regression ◽  
Regression Models ◽  
Magnetic Resonance Enterography ◽  
Linear Regression Models ◽  
Learning Models ◽  
Machine Learning Model ◽  
Relevant Variables ◽  
Machine Learning Models

Background and Aims: Endoscopic healing (EH), is a major treatment goal for Crohn's disease(CD). However, terminal ileum (TI) intubation failure is common, especially in children. We evaluated the added-value of machine-learning models in imputing a TI Simple Endoscopic Score for CD (SES-CD) from Magnetic Resonance Enterography (MRE) data of pediatric CD patients. Methods: This is a sub-study of the prospective ImageKids study. We developed machine-learning and baseline linear-regression models to predict TI SES-CD score from the Magnetic Resonance Index of Activity (MaRIA) and the Pediatric Inflammatory Crohn's MRE Index (PICMI) variables. We assessed TI SES-CD predictions' accuracy for intubated patients with a stratified 2-fold validation experimental setup, repeated 50 times. We determined clinical impact by imputing TI SES-CD in patients with ileal intubation failure during ileocolonscopy. Results: A total of 223 children were included (mean age 14.1+-2.5 years), of whom 132 had all relevant variables (107 with TI intubation and 25 with TI intubation failure). The combination of a machine-learning model with the PICMI variables achieved the lowest SES-CD prediction error compared to a baseline MaRIA-based linear regression model for the intubated patients (N=107, 11.7 (10.5-12.5) vs. 12.1 (11.4-12.9), p<0.05). The PICMI-based models suggested a higher rate of patients with TI disease among the non-intubated patients compared to a baseline MaRIA-based linear regression model (N=25, up to 25/25 (100%) vs. 23/25 (92%)). Conclusions: Machine-learning models with clinically-relevant variables as input are more accurate than linear-regression models in predicting TI SES-CD and EH when using the same MRE-based variables.

scholarly journals Training machine learning models on climate model output yields skillful interpretable seasonal precipitation forecasts

2021 ◽  
Vol 2 (1) ◽  
Author(s):  
Peter B. Gibson ◽  
William E. Chapman ◽  
Alphan Altinok ◽  
Luca Delle Monache ◽  
Michael J. DeFlorio ◽  
...  
Keyword(s):  
Machine Learning ◽  
Large Scale ◽  
Climate Model ◽  
Learning Approaches ◽  
Model Ensemble ◽  
Learning Models ◽  
Seasonal Forecasts ◽  
The North ◽  
Climate Model Simulations ◽  
Machine Learning Models

AbstractA barrier to utilizing machine learning in seasonal forecasting applications is the limited sample size of observational data for model training. To circumvent this issue, here we explore the feasibility of training various machine learning approaches on a large climate model ensemble, providing a long training set with physically consistent model realizations. After training on thousands of seasons of climate model simulations, the machine learning models are tested for producing seasonal forecasts across the historical observational period (1980-2020). For forecasting large-scale spatial patterns of precipitation across the western United States, here we show that these machine learning-based models are capable of competing with or outperforming existing dynamical models from the North American Multi Model Ensemble. We further show that this approach need not be considered a ‘black box’ by utilizing machine learning interpretability methods to identify the relevant physical processes that lead to prediction skill.

scholarly journals Rupture Risk Assessment for Cerebral Aneurysm Using Interpretable Machine Learning on Multidimensional Data

2020 ◽  
Vol 11 ◽  
Author(s):  
Chubin Ou ◽  
Jiahui Liu ◽  
Yi Qian ◽  
Winston Chong ◽  
Xin Zhang ◽  
...  
Keyword(s):  
Machine Learning ◽  
Risk Assessment ◽  
Aneurysm Rupture ◽  
Multidimensional Data ◽  
Rupture Risk ◽  
Learning Models ◽  
Machine Learning Model ◽  
Score Method ◽  
Machine Learning Models ◽  
Better Than

Background: Assessment of cerebral aneurysm rupture risk is an important task, but it remains challenging. Recent works applying machine learning to rupture risk evaluation presented positive results. Yet they were based on limited aspects of data, and lack of interpretability may limit their use in clinical setting. We aimed to develop interpretable machine learning models on multidimensional data for aneurysm rupture risk assessment.Methods: Three hundred seventy-four aneurysms were included in the study. Demographic, medical history, lifestyle behaviors, lipid profile, and morphologies were collected for each patient. Prediction models were derived using machine learning methods (support vector machine, artificial neural network, and XGBoost) and conventional logistic regression. The derived models were compared with the PHASES score method. The Shapley Additive Explanations (SHAP) analysis was applied to improve the interpretability of the best machine learning model and reveal the reasoning behind the predictions made by the model.Results: The best machine learning model (XGBoost) achieved an area under the receiver operating characteristic curve of 0.882 [95% confidence interval (CI) = 0.838–0.927], significantly better than the logistic regression model (0.779; 95% CI = 0.729–0.829; P = 0.002) and the PHASES score method (0.758; 95% CI = 0.713–0.800; P = 0.001). Location, size ratio, and triglyceride level were the three most important features in predicting rupture. Two typical cases were analyzed to demonstrate the interpretability of the model.Conclusions: This study demonstrated the potential of using machine learning for aneurysm rupture risk assessment. Machine learning models performed better than conventional statistical model and the PHASES score method. The SHAP analysis can improve the interpretability of machine learning models and facilitate their use in a clinical setting.

Epigenetic Target Prediction with Accurate Machine Learning Models

2021 ◽  
Author(s):  
Norberto Sánchez-Cruz ◽  
Jose L. Medina-Franco
Keyword(s):  
Machine Learning ◽  
Small Molecules ◽  
Predictive Models ◽  
Large Scale ◽  
Target Prediction ◽  
Quantitative Measure ◽  
Learning Models ◽  
Discovery Research ◽  
Drug Discovery Research ◽  
Machine Learning Models

<p>Epigenetic targets are a significant focus for drug discovery research, as demonstrated by the eight approved epigenetic drugs for treatment of cancer and the increasing availability of chemogenomic data related to epigenetics. This data represents a large amount of structure-activity relationships that has not been exploited thus far for the development of predictive models to support medicinal chemistry efforts. Herein, we report the first large-scale study of 26318 compounds with a quantitative measure of biological activity for 55 protein targets with epigenetic activity. Through a systematic comparison of machine learning models trained on molecular fingerprints of different design, we built predictive models with high accuracy for the epigenetic target profiling of small molecules. The models were thoroughly validated showing mean precisions up to 0.952 for the epigenetic target prediction task. Our results indicate that the herein reported models have considerable potential to identify small molecules with epigenetic activity. Therefore, our results were implemented as freely accessible and easy-to-use web application.</p>

Identification of Anti-cancer Peptides Based on Multi-classifier System

2020 ◽  
Vol 22 (10) ◽  
pp. 694-704 ◽  
Author(s):  
Wanben Zhong ◽  
Bineng Zhong ◽  
Hongbo Zhang ◽  
Ziyi Chen ◽  
Yan Chen
Keyword(s):  
Machine Learning ◽  
Side Effect ◽  
Learning Models ◽  
Normal Cells ◽  
Classifier System ◽  
Prediction Rate ◽  
Anti Cancer ◽  
Feature Information ◽  
Machine Learning Models ◽  
Better Than

Aim and Objective: Cancer is one of the deadliest diseases, taking the lives of millions every year. Traditional methods of treating cancer are expensive and toxic to normal cells. Fortunately, anti-cancer peptides (ACPs) can eliminate this side effect. However, the identification and development of new anti Materials and Methods: In our study, a multi-classifier system was used, combined with multiple machine learning models, to predict anti-cancer peptides. These individual learners are composed of different feature information and algorithms, and form a multi-classifier system by voting. Results and Conclusion: The experiments show that the overall prediction rate of each individual learner is above 80% and the overall accuracy of multi-classifier system for anti-cancer peptides prediction can reach 95.93%, which is better than the existing prediction model.

scholarly journals Statistical and machine learning models for optimizing energy in parallel applications

2019 ◽  
Vol 33 (6) ◽  
pp. 1079-1097 ◽  
Author(s):  
Mark Endrei ◽  
Chao Jin ◽  
Minh Ngoc Dinh ◽  
David Abramson ◽  
Heidi Poxon ◽  
...  
Keyword(s):  
Machine Learning ◽  
Energy Efficiency ◽  
High Performance ◽  
Large Scale ◽  
Energy Use ◽  
Parallel Applications ◽  
Learning Models ◽  
Trade Off ◽  
Time Required ◽  
Machine Learning Models

Rising power costs and constraints are driving a growing focus on the energy efficiency of high performance computing systems. The unique characteristics of a particular system and workload and their effect on performance and energy efficiency are typically difficult for application users to assess and to control. Settings for optimum performance and energy efficiency can also diverge, so we need to identify trade-off options that guide a suitable balance between energy use and performance. We present statistical and machine learning models that only require a small number of runs to make accurate Pareto-optimal trade-off predictions using parameters that users can control. We study model training and validation using several parallel kernels and more complex workloads, including Algebraic Multigrid (AMG), Large-scale Atomic Molecular Massively Parallel Simulator, and Livermore Unstructured Lagrangian Explicit Shock Hydrodynamics. We demonstrate that we can train the models using as few as 12 runs, with prediction error of less than 10%. Our AMG results identify trade-off options that provide up to 45% improvement in energy efficiency for around 10% performance loss. We reduce the sample measurement time required for AMG by 90%, from 13 h to 74 min.

scholarly journals QUBO formulations for training machine learning models

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Prasanna Date ◽  
Davis Arthur ◽  
Lauren Pusey-Nazzaro
Keyword(s):  
Machine Learning ◽  
Linear Regression ◽  
Large Scale ◽  
Support Vector ◽  
Quantum Computers ◽  
Np Hard ◽  
Learning Models ◽  
Moore’S Law ◽  
Moore's Law ◽  
Machine Learning Models

AbstractTraining machine learning models on classical computers is usually a time and compute intensive process. With Moore’s law nearing its inevitable end and an ever-increasing demand for large-scale data analysis using machine learning, we must leverage non-conventional computing paradigms like quantum computing to train machine learning models efficiently. Adiabatic quantum computers can approximately solve NP-hard problems, such as the quadratic unconstrained binary optimization (QUBO), faster than classical computers. Since many machine learning problems are also NP-hard, we believe adiabatic quantum computers might be instrumental in training machine learning models efficiently in the post Moore’s law era. In order to solve problems on adiabatic quantum computers, they must be formulated as QUBO problems, which is very challenging. In this paper, we formulate the training problems of three machine learning models—linear regression, support vector machine (SVM) and balanced k-means clustering—as QUBO problems, making them conducive to be trained on adiabatic quantum computers. We also analyze the computational complexities of our formulations and compare them to corresponding state-of-the-art classical approaches. We show that the time and space complexities of our formulations are better (in case of SVM and balanced k-means clustering) or equivalent (in case of linear regression) to their classical counterparts.

scholarly journals Comparison of machine learning models based on time domain and frequency domain features for faults diagnosis in rotating machines

2018 ◽  
Vol 211 ◽  
pp. 17009
Author(s):  
Natalia Espinoza Sepulveda ◽  
Jyoti Sinha
Keyword(s):  
Machine Learning ◽  
Frequency Domain ◽  
Time Domain ◽  
Intelligent Systems ◽  
Learning Models ◽  
Machine Vibration ◽  
Vibration Data ◽  
Machine Learning Model ◽  
The Time Domain ◽  
Machine Learning Models

The development of technologies for the maintenance industry has taken an important role to meet the demanding challenges. One of the important challenges is to predict the defects, if any, in machines as early as possible to manage the machines downtime. The vibration-based condition monitoring (VCM) is well-known for this purpose but requires the human experience and expertise. The machine learning models using the intelligent systems and pattern recognition seem to be the future avenue for machine fault detection without the human expertise. Several such studies are published in the literature. This paper is also on the machine learning model for the different machine faults classification and detection. Here the time domain and frequency domain features derived from the measured machine vibration data are used separated in the development of the machine learning models using the artificial neutral network method. The effectiveness of both the time and frequency domain features based models are compared when they are applied to an experimental rig. The paper presents the proposed machine learning models and their performance in terms of the observations and results.

scholarly journals A Physics-Infused Deep Learning Model for the Prediction of Refractive Indices and Its Use for the Large-Scale Screening of Organic Compound Space

2019 ◽  
Author(s):  
Mojtaba Haghighatlari ◽  
Gaurav Vishwakarma ◽  
Mohammad Atif Faiz Afzal ◽  
Johannes Hachmann
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Large Scale ◽  
Organic Molecules ◽  
Learning Model ◽  
Training Data ◽  
Refractive Indices ◽  
Learning Models ◽  
Deep Learning Model ◽  
Machine Learning Models

<div><div><div><p>We present a multitask, physics-infused deep learning model to accurately and efficiently predict refractive indices (RIs) of organic molecules, and we apply it to a library of 1.5 million compounds. We show that it outperforms earlier machine learning models by a significant margin, and that incorporating known physics into data-derived models provides valuable guardrails. Using a transfer learning approach, we augment the model to reproduce results consistent with higher-level computational chemistry training data, but with a considerably reduced number of corresponding calculations. Prediction errors of machine learning models are typically smallest for commonly observed target property values, consistent with the distribution of the training data. However, since our goal is to identify candidates with unusually large RI values, we propose a strategy to boost the performance of our model in the remoter areas of the RI distribution: We bias the model with respect to the under-represented classes of molecules that have values in the high-RI regime. By adopting a metric popular in web search engines, we evaluate our effectiveness in ranking top candidates. We confirm that the models developed in this study can reliably predict the RIs of the top 1,000 compounds, and are thus able to capture their ranking. We believe that this is the first study to develop a data-derived model that ensures the reliability of RI predictions by model augmentation in the extrapolation region on such a large scale. These results underscore the tremendous potential of machine learning in facilitating molecular (hyper)screening approaches on a massive scale and in accelerating the discovery of new compounds and materials, such as organic molecules with high-RI for applications in opto-electronics.</p></div></div></div>

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