摘要
核方法具有坚实的理论基础和广泛的应用,已引起了各领域的关注.基于核的机器学习方法不仅适用于以特征向量表示的模式,也适用于结构化数据的模式.前者对应的是向量核方法,后者对应的是图核方法.图核对结构化数据具有强大而灵活的表示形式,其不仅能描述研究对象或模式的特性,还能反映构成这个物体不同部分之间的结构信息.目前,基于图核的机器学习方法在模式识别、机器学习、机器视觉、数据挖掘等相关研究领域得到了极为广泛的关注与应用,已成为结构数据描述方法和应用领域的一个重要研究方向.论文从使用最为广泛的基于R-convolution的图核谈起,总结了图核研究的意义,着重回顾和讨论图核函数的基本理论、基本分类、国内外研究现状,并进一步指出图核研究的发展方向.
Graph kernels were powerful tools for structural analysis in machine learning and pattern recognition.In this paper,we commenced by reviewing the basic theory of kernel methods.Furthermore,we introduced a family of state-of-the-art graphs kernels that are instances of the kernels based on the R-convolution.Finally,we provided theoretical analysis of existing graph kernels and their future developments.
引文
[1]BHADESHIA H K D H.Neural networks in materials science[J].ISIJ International,1999,39(10):966-979.
[2]CORTES C,VAPNIK V.Support-vector networks[J].In Machine Learning,1995,20(3):273-276.
[3]HOFMANN T,SCHOLKOPF B,SMOLA A J.Kernel methods in machine learning[J].Annals of Statistics,2008,36(3):1171-1220.
[4]JOLLIFFE I T.Principle component analysis[M].Berlin:Springer-Verlag,2002.
[5]BISHOP C M.Pattern recognition and machine learning[M].Cambirdge:Camberidge University Press,2006.
[6]FREEDMAN D A.Statistical models:theory and practice,revised edition[M].Camberidge:Camberidge University Press,2009.
[7]GANESHAPILLAI G,GUTTAG J V,LO A.Learning connections in financial time series[C]//In Proceedings of International Conference of Machine Learning(ICML),2013:109-117.
[8]TANG B.Research on quantitative investment by machine learning[M].Beijing:Publishing House of Electronics Industry,2014.
[9]WANG L,ZHU J.Financial market forecasting using a two-step kernel learning method for the support vector regression[J].Annals of Operations Research,2010,174(1):103-120.
[10]BUNKE H,RIESEN K.Graph classification and clustering based on dissimilarity space embedding[M].Singapore:World Scientific Publishing Company,2010.
[11]MERCER J.Functions of positive and negative type,and their connection with the theory of integral equations[J].In Philosophical Transactions of the Royal Society,London,1909,209:415-446.
[12]AZIZ F,WILSON R C,HANCOCK E R.Backtrackless walks on graphs[J].IEEE Trans Neural Netw Learning Syst,2013,24(6):977-989.
[13]GOULD R.Graph theory[M].New York:Dover Publications Inc,2012.
[14]BACH F R.Graph kernel between point clouds[C]//In Proceedings of ICML,2008:25-32.
[15]SHERVASHIDZE N,VISHWANATHAN S V N,PETRI T,et al.Efficient graphlet kernels for large graph comparison[J].Journal of Machine Learning Research,2009,5:488-495.
[16]FU Y.Graph embedding for pattern analysis[M].Berlin:Springer,2013.
[17]LUO B,WILSON R C,HANCOCK E R.Spectral embedding of graphs[J].Pattern Recognition,2003,36:2213-2230.
[18]HAUSLER D.Convolution kernels on discrete structures[C]//In Technical Report UCS-CRL-99-10,UC Santa Cruz,1999.
[19]BAI L,ROSSI L,TORSELLO A,et al.A quantum jensen-shannon graph kernel for unattributed graphs[J].Pattern Recognition,2015,48(2):344-355.
[20]GARTNER T,FLACH P A,WROBEL S.On graph kernels:hardness results and efficient alternatives[C]//In Proceedings of COLT,2003:129-143.
[21]KASIMA H,TSUDA K,INOKUCHI A.Marginalized kernels between labeled graphs[C]//In Proceedings of ICML,2003:1-8.
[22]BORGWARDT K M,KRIEGEL H P.Shortest-path kernels on graphs[C]//In Proceedings of ICDM,2005:74-81.
[23]ALVAREZ M A,QI X,YAN C.A shortest-path graph kernel for estimathing gene product semantic similarity[J].J Biomedical Semantics,2011,2:3.
[24]SHERVASHIDZE N,SCHWEITZER P,LEEUWEN E J,et al.Weisfeiler-lehman graph kernels[J].Journal of Machine Learning Research,2010,1:1-48.
[25]SHERVASHIDZE N,VISHWANATHAN S V N,PETRI T,et al.Efficient graphlet kernels for large graph comparison[C]//AISTATS,2009:488-495.
[26]WANG L,SAHBI H.Directed acyclic graph kernels for action recognition[C]//In Proceedings of ICCV,2013:3168-3175.
[27]HARCHAOUI Z,BACH F R.Image classification with segmentation graph kernels[C]//In Proceedings of CVPR,2007:1-8.
[28]KRIEGE N,MUTZEL P.Subgraph matching kernels for attributed graphs[C]//In Proceedings of ICML2012:1-8.
[29]XU L,NIU X,XIE J,et al.A local-global mixed kernel with reproducing property[J].Neurocomputing,2015,168:190-199.
[30]COSTA F,GRAVE K D.Fast neighborhood subgraph pairwise distance kernel[C]//In Proceedings of ICML,2010:255-262.
[31]BAI L,HANCOCK E R.Graph kernels from the jensen-shannon divergence[J].Journal of Mathematical Imaging and Vision,2013,47(1/2):60-69.
[32]BAI L,HANCOCK E R.Fast depth-based subgraph kernels for unattributed graphs[J].Pattern Recognition,2016,50:233-245.
[33]BAI L,ROSSI L,ZHANG Z,et al.An aligned subtree kernel for weighted graphs[C]//In Proceedings of ICML,2015:30-39.
[34]BAI L,HANCOCK E R.Depth-based complexity traces of graphs[J].Pattern Recognition,2014,47(3):1172-1186.
[35]BAI L,ROSSI L,BUNKE H,et al.Attributed graph kernels using the jensen-tsallis q-differences[C]//In Proceedings of ECML-PKDD(1),2014:99-114.
[36]FERAGEN A,KASENBURG N,PETERSEN J,et al.Scalable kernels for graphs with continuous attributes[C]//In Proceedings of NIPS,2013:216-224.
[37]BAI L,REN P,HANCOCK E R.A hypergraph kernel from isomorphism tests[C]//In Proceedings of ICPR,2014:3880-3885.