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Support Vector Machines (SVMs) are a type of supervised learning algorith,, other examples of which are Artificial Neural Networks (ANNs), Decision Trees, and Naive Bayesian Classifiers. Supervised learning algorithms are used to classify objects labled by a 'supervisor' - typically a human 'expert.'.
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A method to automatically identify possible elemental ions in X-ray crystal structures has been extended to use support vector machine (SVM) classifiers trained on selected structures in the PDB, with significantly improved sensitivity over manually encoded heuristics. In the process of macromolecular model building, crystallographers must examine electron density for isolated atoms and differentiate sites containing structured solvent molecules from those containing elemental ions. This task requires specific knowledge of metal-binding chemistry and scattering properties and is prone to error. A method has previously been described to identify ions based on manually chosen criteria for a number of elements. Here, the use of support vector machines (SVMs) to automatically classify isolated atoms as either solvent or one of various ions is described. Two data sets of protein crystal structures, one containing manually curated structures deposited with anomalous diffraction data and another with automatically filtered, high-resolution structures, were constructed. On the manually curated data set, an SVM classifier was able to distinguish calcium from manganese, zinc, iron and nickel, as well as all five of these ions from water molecules, with a high degree of accuracy. Additionally, SVMs trained on the automatically curated set of high-resolution structures were able to successfully classify most common elemental ions in an independent validation test set. This method is readily extensible to other elemental ions and can also be used in conjunction with previous methods based on a priori expectations of the chemical environment and X-ray scattering.
We introduce a computational geometry method for which classification cost becomes roughly proportional to the difficulty of each example.
A machine learning-based methodology for the prediction of chemical reaction products, along with automated elucidation of mechanistic details via phase space analysis of reactive trajectories, is introduced using low-dimensional heuristic models and then applied to ab initio computer simulations of the photodissociation of acetaldehyde, an important chemical system in atmospheric chemistry. Our method is centered around training Support Vector Machines (SVMs) to identify optimal separatrices that delineate the regions of phase space that lead to different chemical reaction products. In contrast to the more common “black box” type machine learning methodologies for analyzing chemical simulation data, this SVM-based methodology allows for mechanistic insight to be gleaned from further analysis of the positioning of the phase space points used to train the SVM with respect to the separatrices. For example, a pair of phase space points that are in close proximity to each other but on opposite sides of a separatrix may be situated on opposite sides of a transition state, while phase space points occurring early in a simulation that are distant from a separatrix are likely to belong to trajectories that are highly biased toward the product state associated with the basin of attraction to which they belong. In addition to inferring mechanistic details about multiple-pathway chemical reactions, our method can also be used to increase reactive trajectory sampling efficiency in molecular simulations via rejection sampling, with trajectories leading to undesired product states being identified and terminated early in the simulation rather than being carried to completion.
The Support Vector Machine is a powerful algorithm, useful in classifying data in to species. The Support Vector Machines implemented in this research were used as classifiers for the final stage in a Multistage Autonomous Target Recognition system. A single kernel SVM known as SVMlight, and a modified version known as a Support Vector Machine with K-Means Clustering were used. These SVM algorithms were tested as classifiers under varying conditions. Image noise levels varied, and the orientation of the targets changed. The classifiers were then optimized to demonstrate their maximum potential as classifiers. Results demonstrate the reliability of SMV as a method for classification. From trial to trial, SVM produces consistent results
Support Vector Machines (SVM) is a supervised Machine Learning and Data Mining (MLDM) algorithm, which has become ubiquitous largely due to its high accuracy and obliviousness to dimensionality. The objective of SVM is to find an optimal boundary --- also known as hyperplane --- which separates the samples (examples in a dataset) of different classes by a maximum margin. Usually, very few samples contribute to the definition of the boundary. However, existing parallel algorithms use the entire dataset for finding the boundary, which is sub-optimal for performance reasons. In this paper, we propose a novel distributed memory algorithm to eliminate the samples which do not contribute to the boundary definition in SVM. We propose several heuristics, which range from early (aggressive) to late (conservative) elimination of the samples, such that the overall time for generating the boundary is reduced considerably. In a few cases, a sample may be eliminated (shrunk) pre-emptively --- potentially resulting in an incorrect boundary. We propose a scalable approach to synchronize the necessary data structures such that the proposed algorithm maintains its accuracy. We consider the necessary trade-offs of single/multiple synchronization using in-depth time-space complexity analysis. We implement the proposed algorithm using MPI and compare it with libsvm--- de facto sequential SVM software --- which we enhance with OpenMP for multi-core/many-core parallelism. Our proposed approach shows excellent efficiency using up to 4096 processes on several large datasets such as UCI HIGGS Boson dataset and Offending URL dataset.
A key practical obstacle in applying support vector machines to many large-scale data mining tasks is that SVM's generally scale quadratically (or worse) in the number of examples or support vectors.
The Support Vector Machine (SVM) is a powerful algorithm, useful in classifying data into species. The SVMs implemented in this research were used as classifiers for the final stage in a Multistage Automatic Target Recognition (ATR) system. A single kernel SVM known as SVMlight, and a modified version known as a SVM with K-Means Clustering were used. These SVM algorithms were tested as classifiers under varying conditions. Image noise levels varied, and the orientation of the targets changed. The classifiers were then optimized to demonstrate their maximum potential as classifiers. Results demonstrate the reliability of SVM as a method for classification. From trial to trial, SVM produces consistent results.
The Support Vector Machine provides a new way to design classification algorithms which learn from examples (supervised learning) and generalize when applied to new data. We demonstrate its success on a difficult classification problem from hyperspectral remote sensing, where we obtain performances of 96%, and 87% correct for a 4 class problem, and a 16 class problem respectively. These results are somewhat better than other recent results on the same data. A key feature of this classifier is its ability to use high-dimensional data without the usual recourse to a feature selection step to reduce the dimensionality of the data. For this application, this is important, as hyperspectral data consists of several hundred contiguous spectral channels for each exemplar. We provide an introduction to this new approach, and demonstrate its application to classification of an agriculture scene.
The time cost of classifying examples with support vector machines is traditionally linear in the number of support vectors, since each example computes dot products with each SV.
The primary objective of this work was to develop a computationally efficient and accurate approach to reliability analysis of thermal protection systems using support vector machines. An adaptive sampling approach was introduced informs a iterative support vector machine approximation of the limit state function used for measuring reliability. The proposed sampling approach efficient adds samples along the limit state function until the reliability approximation is converged. This methodology is applied to two samples, mathematical functions to test and demonstrate the applicability. Then, the adaptive sampling-based support vector machine approach is applied to the reliability analysis of a thermal protection system. The results of all three problems highlight the potential capability of the new approach in terms of accuracy and computational saving in determining thermal protection system reliability.
There are well-established methods for reducing the number of support vectors in a trained binary support vector machine, often with minimal impact on accuracy. We show how reduced-set methods can be applied to multiclass SVMs made up of several binary SVMs, with significantly better results than reducing each binary SVM independently. Our approach is based on Burges' approach that constructs each reduced-set vector as the pre-image of a vector in kernel space, but we extend this by recomputing the SVM weights and bias optimally using the original SVM objective function. This leads to greater accuracy for a binary reduced-set SVM, and also allows vectors to be 'shared' between multiple binary SVMs for greater multiclass accuracy with fewer reduced-set vectors. We also propose computing pre-images using differential evolution, which we have found to be more robust than gradient descent alone. We show experimental results on a variety of problems and find that this new approach is consistently better than previous multiclass reduced-set methods, sometimes with a dramatic difference.
A method identifies electric load types of a plurality of different electric loads. The method includes providing a support vector machine load feature database of a plurality of different electric load types; sensing a voltage signal and a current signal for each of the different electric loads; determining a load feature vector including at least six steady-state features with a processor from the sensed voltage signal and the sensed current signal; and identifying one of the different electric load types by relating the load feature vector including the at least six steady-state features to the support vector machine load feature database.
This study used Support Vector Machines to classify multiangle POLDER data. Boreal wetland ecosystems cover an estimated 90 x 10(exp 6) ha, about 36% of global wetlands, and are a major source of trace gases emissions to the atmosphere. Four to 20 percent of the global emission of methane to the atmosphere comes from wetlands north of 4 degrees N latitude. Large uncertainties in emissions exist because of large spatial and temporal variation in the production and consumption of methane. Accurate knowledge of the areal extent of open water and inundated vegetation is critical to estimating magnitudes of trace gas emissions. Improvements in land cover mapping have been sought using physical-modeling approaches, neural networks, and active microwave, examples that demonstrate the difficulties of separating open water, inundated vegetation and dry upland vegetation. Here we examine the feasibility of using a support vector machine to classify POLDER data representing open water, inundated vegetation and dry upland vegetation.
Support Vector Machine (SVM) has been widely used in data-mining and Big Data applications as modern commercial databases start to attach an increasing importance to the analytic capabilities. In recent years, SVM was adapted to the field of High Performance Computing for power/performance prediction, auto-tuning, and runtime scheduling. However, even at the risk of losing prediction accuracy due to insufficient runtime information, researchers can only afford to apply offline model training to avoid significant runtime training overhead. To address the challenges above, we designed and implemented MICSVM, a highly efficient parallel SVM for x86 based multi-core and many core architectures, such as the Intel Ivy Bridge CPUs and Intel Xeon Phi coprocessor (MIC).