Due to ongoing climate change, water mass redistribution and related hazards are getting stronger and frequent. Therefore, predicting extreme hydrological events and related hazards is one of the highest priorities in geosciences. Machine Learning (ML) methods have shown promising prospects in this venture. Every ML method requires training where we know both the output (extreme event) and input (relevant physical parameters and variables). This step is critical to the efficacy of the ML method. The usual approach is to include a wide variety of hydro-meteorological observations and physical parameters, but recent advances in ML indicate that the efficacy of ML may not improve by increasing the number of input parameters. In fact, including unimportant parameters decreases the efficacy of ML algorithms. Therefore, it is imperative that the most relevant parameters are identified prior to training. In this study, we demonstrate this concept by predicting avalanche susceptibility in Leh-Manali highway (one of the most severely affected regions in India) with and without Parameter Importance Assessment (PIA). The avalanche locations were randomly divided into two groups: 70% for training and 30% for testing. Then, based on temporal and spatial sensor data, eleven avalanche influencing parameters were considered. The Boruta algorithm, an extension of Random Forest (RF) ML method that utilizes the importance measure to rank predictors, was used and it found nine out of eleven parameters to be important. Support Vector Machine (SVM) based ML technique is used for avalanche prediction, and to be comprehensive, four different kernel functions were employed (linear, polynomial, sigmoid, and radial basis function (RBF)). The prediction accuracy for linear, polynomial, sigmoid, and RBF kernels, with all the eleven parameters were found to be 80.4%, 81.7%, 39.2%, and 85.7%, respectively. While, when using selected parameters, the prediction accuracy for linear, polynomial, sigmoid, and RBF kernels were 84.1%, 86.6%, 43.0%, and 87.8%, respectively. We also identified locations where occurrences of avalanches are most likely. We conclude that parameter selection should be considered when applying ML methods in geosciences.
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http://dx.doi.org/10.1016/j.scitotenv.2021.148738 | DOI Listing |
J Chem Theory Comput
January 2025
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian 116023, People's Republic of China.
Symmetric functions, such as Permutationally Invariant Polynomials (PIPs) and Fundamental Invariants (FIs), are effective and concise descriptors for incorporating permutation symmetry into neural network (NN) potential energy surface (PES) fitting. The traditional algorithm for generating such symmetric polynomials has a factorial time complexity of , where is the number of identical atoms, posing a significant challenge to applying symmetric polynomials as descriptors of NN PESs for larger systems, particularly with more than 10 atoms. Herein, we report a new algorithm which has only linear time complexity for identical atoms.
View Article and Find Full Text PDFJ Mol Model
January 2025
Hubei Key Laboratory·for High-Efficiency-Utilization of Solar Energy and Operation, Control of Energy-Storage System, Hubei-University of Technology, Wuhan, 430068, China.
Context: Ionization and adsorption in gas discharge are similar to electrophilic and nucleophilic reactions. The molecular descriptors characterizing reactions such as electrostatic potential descriptors are useful in predicting the electrical strength of environmentally friendly gases. In this study, descriptors of 73 molecules are employed for correlation analysis with electrical strength.
View Article and Find Full Text PDFSci Rep
January 2025
The College of Computer Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, Jiangsu, China.
The traditional synthesis problem aims to automatically construct a reactive system (if it exists) satisfying a given Linear Temporal Logic (LTL) specifications, and is often referred to as a qualitative problem. There is also a class of synthesis problems aiming at quantitative properties, such as mean-payoff values, and this type of problem is called a quantitative problem. For the two types of synthesis problems, the research on the former has been relatively mature, and the latter also has received huge amounts of attention.
View Article and Find Full Text PDF1. The heritability (h) of liveweight (LW) in ostriches can be highly variable, depending on age at recording. The objective of this study was to consider random regression (RR) as an alternative to the multi-trait (MT) structure for the analysis of repeated measures of LW.
View Article and Find Full Text PDFJ Appl Stat
May 2024
Department of Mathematics, Brunel University London, Uxbridge, UK.
Although the fractional polynomials (FPs) can act as a concise and accurate formula for examining smooth relationships between response and predictors, modelling conditional mean functions observes the partial view of a distribution of response variable, as distributions of many response variables such as blood pressure (BP) measures are typically skew. Conditional quantile functions with FPs provide a comprehensive relationship between the response variable and its predictors, such as median and extremely high-BP measures that may be often required in practical data analysis generally. To the best of our knowledge, this is new in the literature.
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