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OptimizationonGraphsPartII:TechnicalModelsClassicalSolutiontoGraphMatchingProblemedge-edgesimilaritynode-nodesimilarityNP-hardGMProblem:ClassicalGMPipeline:SIFTfeatureextractorcomputenode,edgesimilarityclassicalalgorithmapproximatesolutionmatchingresultFixedmethod,e.g.GaussianKernelFunction(limitedrepresentationcapabilityofSIFT)(limitedcapacityduetofixedsimilarity)(limitedperformanceofclassicalalgorithm)LearningGMbyGraphEmbeddingModelICCV19/TPAMI20ClassicalGMPipeline:SIFTfeatureextractorcomputenode,edgesimilarityclassicalalgorithmapproximatesolutionmatchingresultDeepGraphEmbeddingGMPipeline:CNNfeatureextractorintra-+cross-graphGNNembeddingSinkhornalgorithmmatchingresultlearnnodesimilarity(differentiableend-to-endlearning)[1]CombinatorialLearningofRobustDeepGraphMatching:anEmbeddingbasedApproach,TPAMI

2020[2]LearningCombinatorialEmbeddingNetworksforDeepGraphMatching,ICCV2019

LearningGMbyGraphEmbeddingModelICCV19/TPAMI20Intra-graphNodeEmbedding:GraphConvolutionalNetworkCross-graphNodeEmbedding:Calculatesimilarity→ Computecross-graphweightsbySinkhornAdvantagesofgraphembedding:Includesgraphstructureinformation,comparedwithnodematchingReducescomplexity(NP-hard→O(N3)solvable),comparedwithgraphmatchingTheupdatestepiteratesoverallnodesTheupdatestepiteratesoverallnodesSinkhorn:differentiable,exactlinearassignmentalgorithmHowtoinvoke:pipinstallpygmtools

(alreadysupportnumpy,pytorch,paddle,jittor;willsupport tensorflow,mindspore)>>>import

torch>>>import

pygmtools

as

pygm>>>pygm.BACKEND

=

'pytorch’

>>>np.random.seed(0)#2-dimensional(non-batched)input

>>>s_2d

=

torch.from_numpy(np.random.rand(5,5))>>>s_2d

tensor([[0.5488,0.7152,0.6028,0.5449,0.4237],

[0.6459,0.4376,0.8918,0.9637,0.3834],

[0.7917,0.5289,0.5680,0.9256,0.0710],

[0.0871,0.0202,0.8326,0.7782,0.8700],

[0.9786,0.7992,0.4615,0.7805,0.1183]])

>>>x

=

pygm.sinkhorn(s_2d)>>>x

tensor([[0.1888,0.2499,0.1920,0.1603,0.2089],

[0.1895,0.1724,0.2335,0.2219,0.1827],

[0.2371,0.2043,0.1827,0.2311,0.1447],

[0.1173,0.1230,0.2382,0.1996,0.3219],

[0.2673,0.2504,0.1536,0.1869,0.1418]])

>>>print('row_sum:',x.sum(1),'col_sum:',x.sum(0))row_sum:tensor([1.0000,1.0000,1.0000,1.0000,1.0000])col_sum:tensor([1.0000,1.0000,1.0000,1.0000,1.0000])

LearningGMbyGraphEmbeddingModelICCV19/TPAMI20PermutationLoss:Thematchingproblemcanbeconsideredas abinaryclassificationproblemforeachelement

Comparedwiththeregressionbasedoffsetlossusedinthepast,thepermutationlossbetter

portraysthecombina-torialoptimizationnatureofgraphmatchingLearningGMbyGraphEmbeddingModelICCV19/TPAMI20ModelCNNGMFormulationLossFuncMatchingAccGMNVGG16ClassicalGM(Zanfiretal.CVPR2018)OffsLoss55.3GMN-PLVGG16ClassicalGM(Zanfiretal.CVPR2018)PermLoss57.9PIA-GM-OLVGG16Intra-graphGNNOffsLoss61.6PIA-GMVGG16Intra-graphGNNPermLoss63.0PCA-GMVGG16Intra-+Cross-graphGNNPermLoss63.8MatchingresultsonPascalVOC:PermutationLoss>OffsetLoss,Intra-+Cross-graphGNN>Intra-graphGNN>ClassicalGMThemodelhasthecapabilitytotransferacrosscategories:LearningGMbyGraphEmbeddingModelICCV19/TPAMI20GMisequivalenttonodeclassificationonanassociationgraph:AssociationGraphGraphMatchingProblemNode1matchesnodea 1a=1onassociationgraphTherefore,GMsolvers==nodeclassifieronassociationgraphNaturally,GNNthatexcelinnodeclassificationcanserveasgraphmatchingsolvers!LearningGMSolversTPAMI2021IntroduceSplineConv(Feyetal.CVPR18)toencodegeometricinformation

atfeaturelevelDevisekernelfunctionsassociatedwithCNNCNNExtractor(Optional)LearningSolverGCNadoptedfornodeclassificationonassociationgraph(i.e.solvingGM)ConsidermatchingconstraintsinGNNOutputmatchingresultPascalVOCDatasetMatchingAccPreviousSOTA(Rolineketal.ECCV20)79.0NGMv2(ours)80.1LearningGMSolversTPAMI2021ComputeleadingNeigenvectors(N=3)ExtendtoMulti-graphMatching👉AdoptpermutationsynchronizationtechniquePachauriyetal.,Solvingthemulti-waymatchingproblembypermutationsynchronization,inNIPS2013

ExtendtoHyperGraphMatching👇NeuralGraphMatching(NGM)GMNeuralHyperGraphMatching(NHGM)HGM1/2orderfeatureshigh-orderfeaturesassociationgraphassociationhypergraphupdatefeaturesalongedgesupdatefeaturesalonghyperedgesmatchingacc80.1matchingacc80.7MGMTestDatasetMatchingAccNGMv2(2GM)97.5NHGMv2(HGM)97.8NMGMv2(MGM)98.2LearningGMSolversTPAMI2021

GNNNodeClassifierDoubleStochasticIterationSolu-tionQuadraticAssignmentProblem(QAP)

TestDataset:https://www.opt.math.tugraz.at/qaplib/AssocGraphConstructionComparedwithSOTASinkhorn-basealgorithmSIAMJ.ImagingSci.2019AnnealingAlgorithmECCV10LearningAlgorithmCVPR18BestPaperHonorableMentionsComparedwithGurobiProposedLearningAlgorithmTPAMI21GPUComputingCPUComputing1631xacceleration!431xacceleration!Intel(R)Xeon(R)W-3175XCPU@3.10GHzNVIDIARTX8000RunningTime(logscale)Dataset:NeuralGraphMatchingNetwork:LearningLawler’s

Quadratic

AssignmentProblemwithExtensionstoHypergraphandMulti-graphmatching,TPAMI

2021LossFunc(lowerisbetter)LearningGMSolversTPAMI2021SolvingCombinatorialOptimizationoverGraphsbyaGeneralBi-levelMLFrameworkNeurIPS2021ABi-levelFrameworkforLearningtoSolveCombinatorialOptimizationoverGraphs,NeurIPS

2021DecisionVariableObjectiveFunctionConstraintsActionSequenceRewardActionFeasibleDomainForCOproblemsovergraphs,currentformulationisExistingpapersusereinforcementlearningmodeling:HoweverLargerscale,longeractionsequence

Sparsereward,hardtoconvergeAssumeadequatemodelcapacitytolearn

NP-hardproblem,hardtodevisemodelAddingcuttingplanesforintegerprogrammingResorttotheclassicidea:ModifyingtheoriginalproblemtoaidproblemsolvingThispaper:ModifyinggraphstructureAddedgesGitHubrepoQRcodeUpper-level:AdoptareinforcementlearningagenttoadaptivelymodifythegraphsLower-level:OptimizedecisionvariablesbyheuristicsProposeaBi-levelOptimizationFormulation:Bi-levelFramework:Whentheupper-levelRLmodifiesgraphstructure,thelower-levelheuristicisinvokedUpper-levelOptimizer:RLactionnetwork(trainedbyPPO)Lower-levelOptimizer:HeuristicalgorithmsSolvingCombinatorialOptimizationoverGraphsbyaGeneralBi-levelMLFrameworkNeurIPS2021✔❌AGeneralFrameworkforDifferentGraphTheoryProblems(a)DAGScheduling(b)GEDProblem(c)HamiltonianCycleDAGScheTimeTPC-HDatasetCusto-mizedGen-eralImprov-ements50DAGs982189069.3%100DAGs169141519310.2%150DAGs24429223718.4%Custo-mized

Gen-eral500-600nodes202525%GEDAIDSDatasetCusto-mizedGen-eralImprov-ements20-30nodes37.429.122.2%30-50nodes70.461.113.2%50+nodes101.97724.4%SolvingCombinatorialOptimizationoverGraphsbyaGeneralBi-levelMLFrameworkNeurIPS2021Improv-ementsHamiltonianCycleAccuracyFHCPDatasetOptimizationonGraphsPartI:OutlookandApplicationsBackgroundandMotivationGraphConstructionandOptimizationPCBPlacementHalf-centuryresearchesonclassicalgraphmatchingproblem50yearsofresearchonasinglegraphtheoryproblemTSPGCPMFPMCPRobertBixbyProf.atRiceJeromeChaillouxAsst.Prof.atIPParisErlingAndersenAsst.Prof.atSDUMoregraphtheoryproblemchallengesinreal-worldscenarios50yearsofresearchonasinglegraphtheoryproblemDiscrete/UnconstrainedDiscrete/ConstrainedContinuous/UnconstrainedContinuous/Constrained(Deep)NeuralNetworkLogisticRegressionPCAGraphTheoryandCOCO:combinatorialopt.ClusteringGraphCutPathPlanningMatching…BackgroundPullDecisionTreesGaussianMixedModelSupportVectorMachineNaïveBayesProbabilisticTopicModelsContinuousDiscreteUnconstrainedConstrainedMatrix/SequenceGraphStructurePerceptualProblemsGraphTheoryProblemsContinuousUnconstrainedDiscreteConstrainedBackgroundProblemSettingDataFormGeneralNNCOModelsMethodologyInnovationBackgroundofResearchCVPR’22BestPaper:LearningtoSolveHardMinimalProblemsEJOR’21ASurveybyProf.Bengio:MachineLearningforCONSFmakes$20millioninvestmentinOptimization-focusedAIResearchInstituteOpenScenariosVelocityVolumeVarietyVeracityClassicalComfortZoneRelativeStabilityModerateSizeClassicalProblemMachineLearningClassicalSolversLargeSizeRapidChangeMultipleFormsMoreUncertaintyExactCertaintyGraphMatchingBasedModelFusionICML22InputModelAlignmentModelfusionOutputModelDeepNeuralNetworkFusionviaGraphMatchingwithApplicationstoModelEnsembleandFederatedLearning,ICML22Codeavailableat“/Thinklab-SJTU/GAMF”GitHubrepoQRcodeModelEnsemblePrediction-basedModelEnsemble:NeedtomaintainallindividualmodelsFusion-basedModelEnsemble:NeedtomaintainonlyonemodelFederatedLearningFLPipeline:EfficientlyaggregatelocalmodelsbyModelFusionLi,Q.,He,B.,andSong,D.Model-contrastivefederatedlearning.CVPR,2021.Client1Client

NGlobalServerGraphMatchingBasedModelFusionICML221)Globalserversendstheglobalmodelto eachlocalclient2)Eachclienttrainthelocalmodelwiththeir owndatasets3)Localclientssendthelocalmodelbackto globalserver4)Globalservergathersalllocalmodelsand mergethemintoasharedglobalmodelNeuralChannelGraphNodeEdgeSimilarityTobeMatched~~WeightSimilarity~Challenge:ProblemScaleModelFusion:LargescaleofcommonNN,withupto1024channelseachlayerandatotalnumberofchannelsexceeding10000GraphMatching:Lessthan100keypointsinagraphincommonlyuseddataset,whichdifferssignificantlyfromtherequirementsofModelFusionOutputlayer(fixednodes)Hiddenlayer2(matchednodes)Hiddenlayer1(matchednodes)Inputlayer(fixednodes)Model1Model2GraphMatchingBasedModelFusionICML22StructureofPermutationMatrix𝑃1234567696ABCDEFGHIJModel1Model2Layer1Layer2Layer3Layer4Layer5GraduatedAssignmentSelect3adjacentlayersatatimeFixfrontandbacklayersUpdatethepermutationmatrixofthemiddlelayerIterateuntilconvergenceGraphMatchingbasedModelFusionICML22Outputlayer(fixednodes)Hiddenlayer2(matchednodes)Hiddenlayer1(matchednodes)Inputlayer(fixednodes)Model1Model2GraphMatchingBasedModelFusionICML22GraphOptimizationProblemofPlacementandRoutingRLplacemacrosDLplacestandardcellsRLcombinedwithclassicalalgorithmrouterewardfunctionRLplacemacrosrewardfunctionclassicalalgorithmplacestandardcellsDeepPR(NeurIPS21)ISPD2005Dataset8%↓Exploresolving

PlacementandRoutingviaMachineLearning,asanalternativetoclassicalalgorithms

OnJointLearningforSolvingPlacementandRoutinginChipDesign,

NeurIPS2021BackgroundProposeaCyclicPlacementandRoutingModelwire-lengthArchitectureofGenerativeRoutingModelThegeneratoriscomposedofabasicgeneratorfortheinputsizeof64×64orbelowandanextensionfortheinputsizeoflargerthan64×64.Thediscriminatorconsistsoftwosub-discriminatorstoestimateroutesfromvalidityandrealness.FormulationofMixed-sizePlacement

NeuralMacroPlacementandRoutingPipelineCombiningtheRL-basedmodelforlearningmixed-sizemacroplacementwithone-shotgenerativeroutingnetworktoperformroutingasweintroduceabove,weproposeapureneuralpipelineformacroplacementandrouting.InspiredbyEMalgorithm,wefirstupdatethegenerativerouterusingplacementresultfrommixed-sizeagent(similartoEstep),thenplacementandnetorderagentsarelearnedjointlyinawholereinforcementlearningframeworktominimizewirelengthcalculatedbytrainedgenerativemodel(correspondingtoMstep)GraphOptimizationProblemofPlacementandRoutingThePolicy-gradientPlacementandGenerativeRoutingNeuralNetworksforChipDesign,NeurIPS2022OutlookonTypicalParadigmsParadigm1:Differentiablelearningtoimproveoverallfront-andback-endagilityParadigm2:Multi-taskdistributedself-supervisedlearningtoimprovegeneralizabilityFuseEnd-to-end,DifferentiableHardExampleMiningOutputSolverFront-endPerceptionMachineLearningPerceptionResultMachineLearningBack-endDecisionClassicalAlgorithmInputSolverGeneratorOptimisationSolver

OptimisationSelf-supervisedLearning:

contrastivelearningandreconstruction-basedlearningSelf-supervisedLearningPretexttasksContrastivebasedLearningGenerative&ReconstructionbasedLearning2015-20192020-2022-PopulartimeoutlineSJTUDeepLearningLecture.30ContrastivebasedLearningGenerative&ReconstructionbasedLearningContrastiveLearning(InfoNCE-2018)AttractthefeaturesofpositivesamplesRepelthefeaturesofnegativesamplesDataaugmentationsRepresentationlearningwithcontrastivepredictivecoding,arXivpreprintarXiv:1807.03748(DeepMind)Component1.Astochasticdataaugmentationmodulethattransformsanygivendatasamplerandomlyresultingintwocorrelatedviewsofthesamesample:x_iandx_j,consideredasapositivepair2.Twoneuralnetworkbasedencodersq(.),k(.)thatextractrepresentationvectorsfromaugmenteddatasamples.Theyrepresenttheextractedfeaturepairas(q,k+).k+ispositivesample3.Amemorybanktosaveasetofkeyvalues{k1,k2,…,}(kisrandomgeneratedinGaussiandistribution).Foreachqueryq,theyconsiderthepair(q,ki)asanegativepair.4.Acontrastivelossisdefinedforacontrastivepredictiontask.Thislossaimstoupdatetheparametersofq(.)encoder5.Amomentumbasedoptimizationmethodtoupdatek(.)encoderPositivesTheimagesaugmentedfromthesameimagearerecognizedaspositives,andotherimagesarerecognizedasnegativesObjectivefunction

OptimizationmethodHeremisamomentumcoefficient.(defaultis0.999)ContrastiveLearning:MoCo(CVPR2020)ContrastiveLearning:MoCo(CVPR2020)Component1.Astochasticdataaugmentationmodulethattransformsanygivendatasamplerandomlyresultingintwocorrelatedviewsofthesameexample,denotedx˜iandx˜j,whichtheyconsiderasapositivepair.2.Aneuralnetworkbaseencoderf(·)thatextractsrepresentationvectorsfromaugmenteddatasamples.3.Asmallneuralnetworkprojectionheadg(·)thatmapsrepresentationstothespacewherecontrastivelossisapplied.TheyuseaMLPwithonehiddenlayertoobtainzincontrastivespace.4.Acontrastivelossfunctiondefinedforacontrastivepredictiontask.PositiveandNegativeSamplesTheseimagesaugmentedfromthesameimagearerecognizedaspositives,andotherimagesarerecognizedasnegativesObjectivefunction

ContrastiveLearning:SimCLR(ICML2020)Component1.Astochasticdataaugmentationmodulethattransformsanygivendatasamplerandomlyresultingintwocorrelatedviewsofthesamesample.2.Twoneuralnetworkbasedencoders:onlinenetworkandtargetnetwork.3.Teacher-Student-likedarchitectureisadopted.Targetnetworklearnstheembeddingofonlinenetwork.4.MSEisadoptedtolearnonlinenetwork(theinitializationoftargetnetworkisrandom).5.Amomentumbasedoptimizationmethodtoupgradetargetencoder.PositivesTheimagesaugmentedfromthesameimagearerecognizedaspositives,andotherimagesarerecognizedasnegativesObjectivefunctionzisl2normalizedOptimizationmethod

ContrastiveLearning:BYOL–negativefree(NeurIPS2020)Bootstrapyourownlatent-anewapproachtoself-supervisedlearningNeurIPS2020(DeepMind)BarlowTwins:Self-SupervisedLearningviaRedundancyReduction(ICML2021)ContrastiveLearning:BarlowTwins–negativefree

(ICML2021)Notinstancedimension(batchsize)!ContrastiveLearning:BarlowTwins–negativefree

(ICML2021)wherebistheindexofthesampleinthebatch;i,jistheindexoffeatureoutlineSJTUDeepLearningLecture.38ContrastivebasedLearningGenerative&ReconstructionbasedLearningMaskedAutoencodersAreScalableVisionLearners(CVPR2022)(KaimingHe,XinleiChen,SainingXie,YanghaoLi,PiotrDollár,RossGirshick)MaskedAutoencoders(MAE)(CVPR2022)RawmaskedrecoveredMaskedAutoencodersAreScalableVisionLearners(CVPR2022)(KaimingHe,XinleiChen,SainingXie,YanghaoLi,PiotrDollár,RossGirshick)SimMIM:ASimpleFrameworkforMaskedImageModeling(CVPR2022)(ZhendaXie,ZhengZhang,YueCao,YutongLin,JianminBao,ZhuliangYao,QiDai,HanHu)

MaskedImageModeling:MIM(CVPR2022)CorruptedImageModelingforSelf-SupervisedVisualPre-Training(ICLR2023)(YuxinFang,LiDong,HangboBao,XinggangWang,FuruWei)CorruptedImageModeling:CIM(ICLR2023)Self-supervisedLearning:pretasklearningSupervisedandUnsupervisedLearningSJTUDeepLearningLecture.44SupervisedLearningUnsupervisedLearningSelf-supervisedLearningPretexttasksContrastivebasedLearningGenerative&ReconstructionbasedLearning2015-20192020-2022-PopulartimeUnsupervisedVisualRepresentationLearningbyContextPrediction(ICCV2015Oral)CarlDoersch,AbhinavGupta,AlexeiA.EfrosExperimentshowsthelearnedseman

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