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Syst."},{"key":"ref13\/cit13","first-page":"615","volume":"6","author":"Evgeniou T.","year":"2005","journal-title":"J. Mach. Learn. Res."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1012","DOI":"10.1145\/1102351.1102479","volume-title":"Proceedings of 22nd International Conference on Machine Learning","author":"Yu K.","year":"2005"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"689","DOI":"10.1145\/1273496.1273583","volume-title":"Proceedings of the 24th International Conference on Machine Learning","author":"Ni K.","year":"2007"},{"key":"ref16\/cit16","unstructured":"Agarwal, A.; Rakhlin, A.; Bartlett, P.Matrix Regularization Techniques for Online Multitask Learning; Technical Report UCB\/EECS-2008-138; EECS Department, University of California: Berkeley, CA,2008."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"363","DOI":"10.1186\/1471-2105-9-363","volume":"9","author":"Jacob L.","year":"2008","journal-title":"BMC Bioinf."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"2444","DOI":"10.1021\/ci900182q","volume":"49","author":"Ning X.","year":"2009","journal-title":"J. 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