Uncertainty Quantification Using Neural Networks for Molecular Property Prediction
نویسندگان
چکیده
منابع مشابه
rodbar dam slope stability analysis using neural networks
در این تحقیق شبکه عصبی مصنوعی برای پیش بینی مقادیر ضریب اطمینان و فاکتور ایمنی بحرانی سدهای خاکی ناهمگن ضمن در نظر گرفتن تاثیر نیروی اینرسی زلزله ارائه شده است. ورودی های مدل شامل ارتفاع سد و زاویه شیب بالا دست، ضریب زلزله، ارتفاع آب، پارامترهای مقاومتی هسته و پوسته و خروجی های آن شامل ضریب اطمینان می شود. مهمترین پارامتر مورد نظر در تحلیل پایداری شیب، بدست آوردن فاکتور ایمنی است. در این تحقیق ...
Uncertainty of Artificial Neural Networks for Daily Evaporation Prediction (Case Study: Rasht and Manjil Stations)
This research uses the multilayer perceptron (MLP) model to predict daily evaporation at two synoptic stations located in Rasht and Manjil, Guilan province, in north-west of Iran. Initially the most important combinations of climatic parameters for both of the stations were identified using the gamma test; and daily evaporation were modeled based on the obtained optimal combination. The results...
متن کاملPolymer property prediction and optimization using neural networks
Prediction and optimization of polymer properties is a complex and highly nonlinear problem with no easy method to predict polymer properties directly and accurately. The problem is especially complicated with high molecular weight polymers such as engineering plastics which have the greatest use in industry. The effect of modifying a monomer (polymer repeat unit) on polymerization and the resu...
متن کاملLithofacies Classification from Well Log Data using Neural Networks, Interval Neutrosophic Sets and Quantification of Uncertainty
This paper proposes a novel approach to the question of lithofacies classification based on an assessment of the uncertainty in the classification results. The proposed approach has multiple neural networks (NN), and interval neutrosophic sets (INS) are used to classify the input well log data into outputs of multiple classes of lithofacies. A pair of n-class neural networks are used to predict...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2020
ISSN: 1549-9596,1549-960X
DOI: 10.1021/acs.jcim.0c00502