A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
Deep learning improves OFDFT for molecular systems.
Reconstruction of density functions and their characteristic functions by radial basis functions with scattered data points is a popular topic in the theory of pricing of basket options. Such functions are usually entire or admit an analytic extension into an appropriate tube and "bell-shaped" with rapidly decaying tai…
New method trains deep neural networks for non-interacting kinetic-energy functionals in DFT.
Machine learning model predicts DFT total energy to complete basis set limit.
A number of fundamental quantities in statistical signal processing and information theory can be expressed as integral functions of two probability density functions. Such quantities are called density functionals as they map density functions onto the real line. For example, information divergence functions measure t…
Machine learning predicts liquid water properties from cluster data.
We introduce multiscale invariant dictionaries to estimate quantum chemical energies of organic molecules, from training databases. Molecular energies are invariant to isometric atomic displacements, and are Lipschitz continuous to molecular deformations. Similarly to density functional theory (DFT), the molecule is re…
We show a general relation between the spatially disjoint product of probability density functions and the sum of their Fisher information metric tensors. We then utilise this result to give a method for constructing the probability density functions for an arbitrary Riemannian Fisher information metric tensor. We note…
Researchers created an accurate kinetic energy functional for materials modeling.
The paper analyzes how a known density function can be deviated by a mixture distribution as more data is collected.
Sobolev quantities (norms, inner products, and distances) of probability density functions are important in the theory of nonparametric statistics, but have rarely been used in practice, partly due to a lack of practical estimators. They also include, as special cases, quantities which are used in many applicatio…
This work speeds up DFT simulations using approximate Gaussian processes.
Triangular map is a recent construct in probability theory that allows one to transform any source probability density function to any target density function. Based on triangular maps, we propose a general framework for high-dimensional density estimation, by specifying one-dimensional transformations (equivalently co…
New sampling and diffusion models methods introduced without density function assumptions.
The probability density function for the visible sector of a Riemann-Theta Boltzmann machine can be taken conditional on a subset of the visible units. We derive that the corresponding conditional density function is given by a reparameterization of the Riemann-Theta Boltzmann machine modelling the original probability…
Bayesian inference reconstructs external potentials in DFT for many-particle systems.
We propose a Fourier-based approach for optimization of several clustering algorithms. Mathematically, clusters data can be described by a density function represented by the Dirac mixture distribution. The density function can be smoothed by applying the Fourier transform and a Gaussian filter. The determination of th…
Accurate approximations to density functionals have recently been obtained via machine learning (ML). By applying ML to a simple function of one variable without any random sampling, we extract the qualitative dependence of errors on hyperparameters. We find universal features of the behavior in extreme limits, includi…
For a symplectic manifold with quantizing line bundle, a choice of almost complex structure determines a Laplacian acting on tensor powers of the bundle. For high tensor powers Guillemin-Uribe showed that there is a well-defined cluster of low-lying eigenvalues, whose distribution is described by a spectral density fun…
We study the asymptotic behaviour of the partial density function associated to sections of a positive hermitian line bundle that vanish to a particular order along a fixed divisor . Assuming the data in question is invariant under an -action (locally around ) we prove that this density function has a distri…
Multitask Gaussian process regression reduces data generation costs for molecular property prediction.
A theory which describes the share price evolution at financial markets as a continuous-time random walk has been generalized in order to take into account the dependence of waiting times t on price returns x. A joint probability density function (pdf) which uses the concept of a Lévy stable distribution is worked out.…
Equivariant graph neural networks predict electron density for molecules, liquids, and solids.
We show that the visible sector probability density function of the Riemann-Theta Boltzmann machine corresponds to a gaussian mixture model consisting of an infinite number of component multi-variate gaussians. The weights of the mixture are given by a discrete multi-variate gaussian over the hidden state space. This a…
The paper proposes a new framework for accurate uncertainty representation and propagation.
The paper connects Riemannian Gaussian distributions to random matrix theory and diffusion kernels.
Improved density estimation for mixed discrete-continuous data.
Important information concerning a multivariate data set, such as clusters and modal regions, is contained in the derivatives of the probability density function. Despite this importance, nonparametric estimation of higher order derivatives of the density functions have received only relatively scant attention. Kernel …
The problem of completeness of the forward rate based bond market model driven by a Lévy process under the physical measure is examined. The incompleteness of market in the case when the Lévy measure has a density function is shown. The required elements of the theory of stochastic integration over the compensated jump…
We extend neural networks with fractional and mixed activation functions for better function approximation.
The paper extends Vlasov kinetic theory to time-dependent dynamics using cosymplectic and cocontact manifolds.
We consider the renormalized Bochner Laplacian acting on tensor powers of a positive line bundle on a compact symplectic manifold. We derive an explicit local formula for the spectral density function in terms of coefficients of the Riemannian metric and symplectic form.
This research improves demand forecasting by predicting complete probability density functions using machine learning.
Last year, at least 30,000 scientific papers used the Kohn-Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields, ranging from materials science to biochemistry to astrophysics. Machine learning holds the promise of learning the kinetic energy functional …
New integral theorems improve density function estimations.
MCD reformulates conditional density estimation into binary classification.
Pricing of high-dimensional options is one of the most important problems in Mathematical Finance. The objective of this manuscript is to present an original self-contained treatment of the multidimensional pricing. During the past decades the Black-Scholes this model, which essentially is based on the log-normal assum…
GBHT uses gradient boosting for density estimation with theoretical guarantees.
Wavelet scattering predicts material properties beyond training data.
Constructs examples of centrally harmonic spaces and shows they are not generically harmonic.
In the modal approach to clustering, clusters are defined as the local maxima of the underlying probability density function, where the latter can be estimated either non-parametrically or using finite mixture models. Thus, clusters are closely related to certain regions around the density modes, and every cluster corr…
Here we develop an option pricing method based on Legendre series expansion of the density function. The key insight, relying on the close relation of the characteristic function with the series coefficients, allows to recover the density function rapidly and accurately. Based on this representation for the density fun…
We analyze the probability density function (PDF) of waiting times between financial loss exceedances. The empirical PDFs are fitted with the self-excited Hawkes conditional Poisson process with a long power law memory kernel. The Hawkes process is the simplest extension of the Poisson process that takes into account h…
Novel method recursively partitions sample space for density estimation.
We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schrödinger equation is mapped onto a non-linear statistical regression problem of reduced complexity. Regression models a…
The limits of the nuclear landscape are determined by nuclear binding energies. Beyond the proton drip lines, where the separation energy becomes negative, there is not enough binding energy to prevent protons from escaping the nucleus. Predicting properties of unstable nuclear states in the vast territory of proton em…
This paper formulates dynamic density functions, based upon skewed-t and similar representations, to model and forecast electricity price spreads between different hours of the day. This supports an optimal day ahead storage and discharge schedule, and thereby facilitates a bidding strategy for a merchant arbitrage fac…
The histogram method is a powerful non-parametric approach for estimating the probability density function of a continuous variable. But the construction of a histogram, compared to the parametric approaches, demands a large number of observations to capture the underlying density function. Thus it is not suitable for …