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 determinant




AInjectiveChange-of-VariableFormulaandStacking InjectiveFlows Wefirstderive(5)from(3). Bythechainrule,wehave: J[gφ ] g

Neural Information Processing Systems

We summarize our methods for computing/estimating the gradient of the log determinant arising inmaximum likelihood training ofrectangular flows. Algorithm 2showstheexactmethod, where jvp(f,z,)denotes computingJ[f](z) usingforward-mode AD,and i Rd isthei-thstandard basis vector, i.e. a one-hot vector with a1 on its i-th coordinate. Note that / θlogdetAθ is computed using backpropagation. Thefor loop is easily parallelized in practice.





Estimatingtheintrinsicdimensionalityusing NormalizingFlows-Supplementary

Neural Information Processing Systems

Withtheseconditions,adirectconsequenceisthat the singular values inon-manifold directions will not depend onσ2. Hence, if we fix the latent distribution to be standard Gaussian, wehavethat theNFused tolearnqσ2 must be f forall(u,v),i.e. However, these eigenvalues are exactly in direction of large variability, i.e. in on-manifolddirection. Thiswastobeshown. Let us assume thatσ21 = = σ2d in the following. B.1 Lolipop In [11], a manifold consisting of regions of different ID was considered - a 1 dimensional line segment, and atwodimensional disk such that theoverall manfiold resembles alolipop.


Gold

Neural Information Processing Systems

Usingourmethod weestablish anewbenchmark bycalculating the most accurate variational ground state energies ever published for a number of different atoms and molecules. Wesystematically break down and measure our improvements, focusing in particular on the effect of increasing physical prior knowledge.