Assessing the performance of a diatom transfer function on four Minnesota lake sediment cores: effects of training set size and sample age

2013 ◽  
Vol 50 (1) ◽  
pp. 87-104 ◽  
Author(s):  
Euan D. Reavie ◽  
Mark B. Edlund
2011 ◽  
Author(s):  
Jeffrey S. Katz ◽  
John F. Magnotti ◽  
Anthony A. Wright

2021 ◽  
Vol 13 (3) ◽  
pp. 368
Author(s):  
Christopher A. Ramezan ◽  
Timothy A. Warner ◽  
Aaron E. Maxwell ◽  
Bradley S. Price

The size of the training data set is a major determinant of classification accuracy. Nevertheless, the collection of a large training data set for supervised classifiers can be a challenge, especially for studies covering a large area, which may be typical of many real-world applied projects. This work investigates how variations in training set size, ranging from a large sample size (n = 10,000) to a very small sample size (n = 40), affect the performance of six supervised machine-learning algorithms applied to classify large-area high-spatial-resolution (HR) (1–5 m) remotely sensed data within the context of a geographic object-based image analysis (GEOBIA) approach. GEOBIA, in which adjacent similar pixels are grouped into image-objects that form the unit of the classification, offers the potential benefit of allowing multiple additional variables, such as measures of object geometry and texture, thus increasing the dimensionality of the classification input data. The six supervised machine-learning algorithms are support vector machines (SVM), random forests (RF), k-nearest neighbors (k-NN), single-layer perceptron neural networks (NEU), learning vector quantization (LVQ), and gradient-boosted trees (GBM). RF, the algorithm with the highest overall accuracy, was notable for its negligible decrease in overall accuracy, 1.0%, when training sample size decreased from 10,000 to 315 samples. GBM provided similar overall accuracy to RF; however, the algorithm was very expensive in terms of training time and computational resources, especially with large training sets. In contrast to RF and GBM, NEU, and SVM were particularly sensitive to decreasing sample size, with NEU classifications generally producing overall accuracies that were on average slightly higher than SVM classifications for larger sample sizes, but lower than SVM for the smallest sample sizes. NEU however required a longer processing time. The k-NN classifier saw less of a drop in overall accuracy than NEU and SVM as training set size decreased; however, the overall accuracies of k-NN were typically less than RF, NEU, and SVM classifiers. LVQ generally had the lowest overall accuracy of all six methods, but was relatively insensitive to sample size, down to the smallest sample sizes. Overall, due to its relatively high accuracy with small training sample sets, and minimal variations in overall accuracy between very large and small sample sets, as well as relatively short processing time, RF was a good classifier for large-area land-cover classifications of HR remotely sensed data, especially when training data are scarce. However, as performance of different supervised classifiers varies in response to training set size, investigating multiple classification algorithms is recommended to achieve optimal accuracy for a project.


Author(s):  
Douglas Nelson ◽  
Alan Heyvaert ◽  
Laurent Meillier ◽  
Jae Kim ◽  
Xiaoping Li ◽  
...  

2020 ◽  
Author(s):  
Jenke Scheen ◽  
Wilson Wu ◽  
Antonia S. J. S. Mey ◽  
Paolo Tosco ◽  
Mark Mackey ◽  
...  

A methodology that combines alchemical free energy calculations (FEP) with machine learning (ML) has been developed to compute accurate absolute hydration free energies. The hybrid FEP/ML methodology was trained on a subset of the FreeSolv database, and retrospectively shown to outperform most submissions from the SAMPL4 competition. Compared to pure machine-learning approaches, FEP/ML yields more precise estimates of free energies of hydration, and requires a fraction of the training set size to outperform standalone FEP calculations. The ML-derived correction terms are further shown to be transferable to a range of related FEP simulation protocols. The approach may be used to inexpensively improve the accuracy of FEP calculations, and to flag molecules which will benefit the most from bespoke forcefield parameterisation efforts.


Author(s):  
André Maletzke ◽  
Waqar Hassan ◽  
Denis dos Reis ◽  
Gustavo Batista

Quantification is a task similar to classification in the sense that it learns from a labeled training set. However, quantification is not interested in predicting the class of each observation, but rather measure the class distribution in the test set. The community has developed performance measures and experimental setups tailored to quantification tasks. Nonetheless, we argue that a critical variable, the size of the test sets, remains ignored. Such disregard has three main detrimental effects. First, it implicitly assumes that quantifiers will perform equally well for different test set sizes. Second, it increases the risk of cherry-picking by selecting a test set size for which a particular proposal performs best. Finally, it disregards the importance of designing methods that are suitable for different test set sizes. We discuss these issues with the support of one of the broadest experimental evaluations ever performed, with three main outcomes. (i) We empirically demonstrate the importance of the test set size to assess quantifiers. (ii) We show that current quantifiers generally have a mediocre performance on the smallest test sets. (iii) We propose a metalearning scheme to select the best quantifier based on the test size that can outperform the best single quantification method.


2009 ◽  
Vol 21 (7) ◽  
pp. 2082-2103 ◽  
Author(s):  
Shirish Shevade ◽  
S. Sundararajan

Gaussian processes (GPs) are promising Bayesian methods for classification and regression problems. Design of a GP classifier and making predictions using it is, however, computationally demanding, especially when the training set size is large. Sparse GP classifiers are known to overcome this limitation. In this letter, we propose and study a validation-based method for sparse GP classifier design. The proposed method uses a negative log predictive (NLP) loss measure, which is easy to compute for GP models. We use this measure for both basis vector selection and hyperparameter adaptation. The experimental results on several real-world benchmark data sets show better or comparable generalization performance over existing methods.


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