3 research outputs found
Replica theory for learning curves for Gaussian processes on random graphs
Statistical physics approaches can be used to derive accurate predictions for
the performance of inference methods learning from potentially noisy data, as
quantified by the learning curve defined as the average error versus number of
training examples. We analyse a challenging problem in the area of
non-parametric inference where an effectively infinite number of parameters has
to be learned, specifically Gaussian process regression. When the inputs are
vertices on a random graph and the outputs noisy function values, we show that
replica techniques can be used to obtain exact performance predictions in the
limit of large graphs. The covariance of the Gaussian process prior is defined
by a random walk kernel, the discrete analogue of squared exponential kernels
on continuous spaces. Conventionally this kernel is normalised only globally,
so that the prior variance can differ between vertices; as a more principled
alternative we consider local normalisation, where the prior variance is
uniform
Learning Random-Walk Kernels for Protein Remote Homology Identification and Motif Discovery
Random-walk based algorithms are good choices for solving many classification problems with limited labeled data and a large amount of unlabeled data. However, it is difficult to choose the optimal number of random steps, and the results are very sensitive to the parameter chosen. In this paper, we will discuss how to better identify protein remote homology than any other algorithm using a learned random-walk kernel based on a positive linear combination of random-walk kernels with different random steps, which leads to a convex combination of kernels. The resulting kernel has much better prediction performance than the state-of-the-art profile kernel for protein remote homology identification. On the SCOP benchmark dataset, the overall mean ROC50 score on 54 protein families we obtained using the new kernel is above 0.90, which has almost perfect prediction performance on most of the 54 families and has significant improvement over the best published result; moreover, our approach based on learned randomwalk kernels can effectively identify meaningful protein sequence motifs that are responsible for discriminating the memberships of protein sequences ’ remote homology in SCOP.