Fast subtree kernels on graphs - VideoLectures

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1 hour Datasets minute 10 sec Experimental evaluation ◮ MUTAG - mutagenic/non-mutagenic nitro compounds for Salmonella typhimurium 85 % ◮ NCI1 and NCI109 - active/inactive compounds in an anti-cancer screen 80 % 75 % 70 % 65 % 60 % 55 % 50 % ◮ D & D - enzymes/non-enzymes Setup Dataset MUTAG NCI1 NCI109 D & D Maximum # nodes 28 111 111 5748 Average # nodes 17.93 29.87 29.68 284.32 # labels 7 37 54 89 Number MUTAG of graphsNCI1 188 4110 NCI109 4127 D&D 1178 graph size N. Shervashidze, K. Borgwardt <strong>Fast</strong> <strong>subtree</strong> <strong>kernels</strong> on graphs NIPS 16
Experimental evaluation Setup Comparison partners Runtime for labeled graphs 10 9 8 7 6 5 4 3 2 Subtree kernel (Ramon and Gaertner, 2003) <strong>Fast</strong> Random Walk (Vishwanathan et al., 2007) Shortest Path (Borgwardt and Kriegel, 2005) 3-Graphlet (Shervashidze et al., 2009) Weisfeiler-Lehman <strong>subtree</strong> kernel (this talk) 1 100 200 300 400 500 600 700 800 900 1000 Graph size N. Shervashidze, K. Borgwardt <strong>Fast</strong> <strong>subtree</strong> <strong>kernels</strong> on graphs NIPS 17
Page 1 and 2: Fast subtr
Page 3 and 4: Introduction Introduction ◮ Kerne
Page 5 and 6: Introduction Introduction ◮ Kerne
Page 7 and 8: Introduction Overview Overview of g
Page 17 and 18: Introduction Subtree kernel
Page 33 and 34: The Weisfeiler-Lehman kernel on gra
Page 45: The Weisfeiler-Lehman kernel on gra
Page 49 and 50: Conclusion Conclusion and outlook
Page 51 and 52: Conclusion Conclusion and outlook

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