hi zhuoc,
here's a bit more reasoning about what's happening (i didn't go into that detail since i didn't want to confuse everyone but here it goes):
for kernels of the form k(x-x') taking the fourier transform of the kernel and checking that it is nonnegative gives you a necessary and sufficient condition. you can easily check this simply by otherwise taking coefficients that take values like the frequency for which the fourier transform has negative value and plugging this into the expansion. you'd get a negative number.
for general purpose kernels, positive semidefiniteness of a specific matrix is a necessary but not sufficient condition. however, if you can prove that all matrices for all data regardless of the size of the matrix are positive semidefinite, you're in business. for instance, just showing things for all 2x2 submatrices is not enough. if you remember the counterexample i gave using
[1 1 0; 1 1 1; 0 1 1]
all 2x2 submatrices are positive semidefinite but the 3x3 matrix isn't.
in general, if you have an eigenfunction expansion of the kernel, i.e.
k(x,x') = \sum_i \lambda_i \psi_i(x) \psi_i(x')
and some \lambda_i happened to be negative, then you could, due to the orthogonality of the \psi_i construct data (x_j) and corresponding weights \alpha_j = \psi_i(x_j) such that, for sufficiently large numbers of points, you'd get a negative value, hence you'd have a counterexample
cheers,
alex
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