Literature DB >> 21987558

Fast bundle algorithm for multiple-instance learning.

Charles Bergeron1, Gregory Moore, Jed Zaretzki, Curt M Breneman, Kristin P Bennett.   

Abstract

We present a bundle algorithm for multiple-instance classification and ranking. These frameworks yield improved models on many problems possessing special structure. Multiple-instance loss functions are typically nonsmooth and nonconvex, and current algorithms convert these to smooth nonconvex optimization problems that are solved iteratively. Inspired by the latest linear-time subgradient-based methods for support vector machines, we optimize the objective directly using a nonconvex bundle method. Computational results show this method is linearly scalable, while not sacrificing generalization accuracy, permitting modeling on new and larger data sets in computational chemistry and other applications. This new implementation facilitates modeling with kernels.

Mesh:

Year:  2012        PMID: 21987558     DOI: 10.1109/TPAMI.2011.194

Source DB:  PubMed          Journal:  IEEE Trans Pattern Anal Mach Intell        ISSN: 0098-5589            Impact factor:   6.226


  3 in total

1.  RS-Predictor models augmented with SMARTCyp reactivities: robust metabolic regioselectivity predictions for nine CYP isozymes.

Authors:  Jed Zaretzki; Patrik Rydberg; Charles Bergeron; Kristin P Bennett; Lars Olsen; Curt M Breneman
Journal:  J Chem Inf Model       Date:  2012-05-29       Impact factor: 4.956

2.  RS-predictor: a new tool for predicting sites of cytochrome P450-mediated metabolism applied to CYP 3A4.

Authors:  Jed Zaretzki; Charles Bergeron; Patrik Rydberg; Tao-wei Huang; Kristin P Bennett; Curt M Breneman
Journal:  J Chem Inf Model       Date:  2011-06-15       Impact factor: 4.956

3.  RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules.

Authors:  Jed Zaretzki; Charles Bergeron; Tao-wei Huang; Patrik Rydberg; S Joshua Swamidass; Curt M Breneman
Journal:  Bioinformatics       Date:  2012-12-14       Impact factor: 6.937

  3 in total

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