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Extracting hidden information from knowledge networks. Sergei Maslov Brookhaven National Laboratory, New York, USA. Outline of the talk. What is a knowledge network and how is it different from an ordinary graph or network?
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Extracting hidden information from knowledge networks Sergei Maslov Brookhaven National Laboratory, New York, USA
Outline of the talk • What is a knowledge network and how is it different from an ordinary graph or network? • Knowledge networks on the internet:matching products to customers • Knowledge networks in biology: large ensembles of interacting biomolecules • Empirical study of correlations in the network of interacting proteins • Collaborators: Y-C. Zhang, and K. Sneppen Hanse Institute for Advanced Study, March 2002
Networks in complex systems • Network is the backbone of a complex system • Answers the question: who interacts with whom? • Examples: • Internet and WWW • Interacting biomolecules (metabolic, physical, regulatory) • Food webs in ecosystems • Economics: customers and products; Social: people and their choice of partners Hanse Institute for Advanced Study, March 2002
Predicting tastes of customers based on their opinions on products • Each of us has personal tastes • These tastes are sometimes unknown even to ourselves (hidden wants) • Information is contained in our opinions on products • Matchmaking: customers with similar tastes can be used to predict future opinions • Internet allows to do it on a large scale Hanse Institute for Advanced Study, March 2002
book’s features reader’s tastes opinion 1 1 1 1 2 2 books 2 2 3 3 3 3 4 4 Types of networks Plain network Knowledge or opinion network readers Hanse Institute for Advanced Study, March 2002
1 2 1 9 2 readers books 8 2 3 1 8 3 4 Storing opinions Matrix of opinions IJ Network of opinions Hanse Institute for Advanced Study, March 2002
Using correlations to reconstruct customer’s tastes • Similar opinions similar tastes • Simplest model: • Readers M-dimensional vector of tastes rI • Books M-dimensional vector of features bJ • Opinions scalar product: IJ=rIbJ 1 2 1 9 2 customers 8 2 3 books 1 8 3 4 Hanse Institute for Advanced Study, March 2002
L known opinions 1 an unknown opinion 1 9 2 8 customers 2 3 books 8 3 4 Loop correlation • predictive power 1/M(L-1)/2 • one needs many loops to completely freezemutual orientation of vectors Hanse Institute for Advanced Study, March 2002
Field Theory Approach • If all components of vectors are Gaussian and uncorrelated: • Generating functional is: det(1+i)-M/2 • All irreducible correlations are proportional to M • All loop correlations <12 23 34 … L1>=M • Since each is IJ~M sign correlation scales as M–(L-1)/2 Hanse Institute for Advanced Study, March 2002
Main parameter: density of edges • The larger is the density of edgesp the easier is the prediction • At p1 1/N (N=Nreaders+Nbooks) macroscopic prediction becomes possible. Nodes are connected but vectors rI bJ are not fixed: ordinary percolation threshold • At p2 2M/N> p1 all tastes and features (rI and bJ) can be uniquely reconstructed: rigidity percolation threshold Hanse Institute for Advanced Study, March 2002
Spectral properties of • For M<N the matrix IJhas N-M zero eigenvalues and M positive ones: = R R+. • Using SVD one can “diagonalize” R = U D V+such that matrices VandU are orthogonal V+ V = 1, U U+ = 1, and D is diagonal.Then = U D2 U+ • The amount of information contained in : NM-M(M-1)/2 << N(N-1)/2 - the # of off-diagonal elements Hanse Institute for Advanced Study, March 2002
Practical recursive algorithm of prediction of unknown opinions • Start with 0 where all unknown elements are filled with <> (zero in our case) • Diagonalize and keep only M largest eigenvalues and eigenvectors • In the resulting truncated matrix ’0replace all known elements with their exact values and go to step 1 Hanse Institute for Advanced Study, March 2002
Convergence of the algorithm • Above p2 the algorithm exponentially converges to theexact values of unknown elements • The rate of convergence scales as (p-p2)2 Hanse Institute for Advanced Study, March 2002
Reality check: sources of errors • Customers are not rational! IJ=rIbJ + Ij(idiosyncrasy) • Opinions are delivered to the matchmaker through a narrow channel: • Binary channel SIJ = sign(IJ) : 1 or 0 (liked or not) • Experience rated on a scale 1 to 5 or 1 to 10 at best • If number of edges K, and size N are large, while M is small these errors can be reduced Hanse Institute for Advanced Study, March 2002
How to determine M? • In real systems M is not fixed: there are always finer and finerdetails of tastes • Given the number of known opinions K one should choose Meff K/(Nreaders+Nbooks) so that systems are below the second transition p2 tastes should be determined hierarchically Hanse Institute for Advanced Study, March 2002
Reasonable fit Overfit Avoid overfitting • Divide known votes into training and test sets • Select Meff so that to avoid overfitting !!! Hanse Institute for Advanced Study, March 2002
Knowledge networks in biology • Interacting biomolecules: key and lock principle • Matrix of interactions (binding energies) IJ=kIlJ+lIkJ • Matchmaker (bioinformatics researcher) tries to guess yet unknown interactions based on the pattern of known ones • Many experiments measure SIJ=(IJ-th) k(1) l(1) k(2) l(2) Hanse Institute for Advanced Study, March 2002
Real systems • Internet commerce: the dataset of opinions on movies collected by Compaq systems research center: • 72916 users entered a total of 2811983 numeric ratings (* to *****) for 1628 different movies: Meff~40 • Default set for collaborative filtering research • Biology: table of interactions between yeast proteins from Ito et al. high throughput two-hybrid experiment • 6000 proteins (~3300 have at least one interaction partner) and 4400 known interactions • Binary (interact or not) • Meff~1: too small! Hanse Institute for Advanced Study, March 2002
Yeast Protein Interaction Network • Data from T. Ito, et al. PNAS (2001) • Full set contains 4549 interactions among 3278yeast proteins • Here are shown only nuclear proteins interacting with at least one other nuclear protein Hanse Institute for Advanced Study, March 2002
Correlations in connectivities • Basic design principles of the network can be revealed by comparing the frequency of a pattern in real and random networks • P(k0,k1) – probability that nodes with connectivities k0 and k1 directly interact • Should be normalized by Pr(k0,k1) – the same property in a randomized network such that: • Each node has the samenumber of neighbors (connectivity) • These neighbors are randomly selected • The whole ensemble of random networks can be generated Hanse Institute for Advanced Study, March 2002
Correlation profile of the protein interaction network P(k0,k1)/Pr(k0,k1) Z(k0,k1)=(P(k0,k1)-Pr(k0,k1))/r(k0,k1) Hanse Institute for Advanced Study, March 2002
Correlation profile of the internet Hanse Institute for Advanced Study, March 2002
What it may mean? • Hubs avoideach other (like in the internet R. Pastor-Satorras, et al. Phys. Rev. Lett. (2001)) • Hubs prefer to connect to terminal ends (low connected nodes) • Specificity: network is organized in modules clustered around individual hubs • Stability: the number of second nearest neighbors is suppressed harder to propagate deleterious perturbations Hanse Institute for Advanced Study, March 2002
Conclusion • Studies of networks are similar to paleontology: learning about an organism from its backbone • You can learn a lot about a complex system from its network !! But not everything… Hanse Institute for Advanced Study, March 2002
THE END Hanse Institute for Advanced Study, March 2002
Entropy of unknown opinions Entropy Density of knownopinions p 0 p1 p2 1 Hanse Institute for Advanced Study, March 2002
How to determine p2? • K known elements of an NxN matrix IJ=rIbJ (N=Nr+Nb) • Approximately N x M degrees of freedom (minus M(M-1)/2 gauge parameters) • For K>MN all missing elements can be reconstructed p2 =K2/(N(N-1)/2) 2M/N Hanse Institute for Advanced Study, March 2002
What is a knowledge network? • Undirected graph with N vertices and K edges • Each vertex has a (hidden) M-dimensional vector of tastes/features • Each edge carries a scalar product (opinion) of vectors on vertices it connects • The centralized matchmaker is trying to guess vectors (tastes) based on their scalar products (opinions) and to predict unknown opinions Hanse Institute for Advanced Study, March 2002
Versions of knowledge networks • Regular graph: every link is allowed. Example: recommending people to other people according to their areas of interests • Bipartite graphs: Example: Customers to products • Non-reciprocal opinions: each vertex has two vectors dI, qI so that IJ=dIqJ . Example: Real matchmaker recommending men to women. Hanse Institute for Advanced Study, March 2002