Machine learning models simulate molecular spectra and reactions in solvents.
arXiv research
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BSD is a Bayesian framework for analyzing neural spectral data.
We suggest several mathematical counterparts to the idea of "effective degrees of freedom" and formulate specific questions, much of which are inspired by Larry Guth's results and ideas on the Hermann Weyl kind of asymptotics of the Morse (co)homology spectra of the volume energy function on the spaces of cycles in bal…
Bayesian method uses data spectra to estimate non-sparse high-dimensional models.
When confronted with a substance of unknown identity, researchers often perform mass spectrometry on the sample and compare the observed spectrum to a library of previously-collected spectra to identify the molecule. While popular, this approach will fail to identify molecules that are not in the existing library. In r…
Graph spectra have been successfully used to classify network types, compute the similarity between graphs, and determine the number of communities in a network. For large graphs, where an eigen-decomposition is infeasible, iterative moment matched approximations to the spectra and kernel smoothing are typically used. …
Investigates point spectra of vector fields and their properties.
We propose a learning-based approach for estimating the spectrum of a multisinusoidal signal from a finite number of samples. A neural-network is trained to approximate the spectra of such signals on simulated data. The proposed methodology is very flexible: adapting to different signal and noise models only requires m…
Khovanov spectra are shown to be functorial under certain conditions.
Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for vibrational anharmonic and dynamical effects -- typically neglected by conventional quan…
We give a simple sufficient condition for Quinn's "bordism-type spectra" to be weakly equivalent to strictly associative ring spectra. We also show that Poincare bordism and symmetric L-theory are naturally weakly equivalent to monoidal functors. Part of the proof of these statements involves showing that Quinn's funct…
Proves spectra equivalence for Riemannian manifolds.
We compute the bridge spectra of cables of 2-bridge knots. We also give some results about bridge spectra and distance of Montesinos knots.
Study calculates spectra of minimal hypersurfaces in hyperbolic space.
Paper resolves decades-old problem about -spectra.
New metrics compare rational spectra using optimal transport.
We analyze the multifractal spectra of daily foreign exchange rates for Japan, Hong-Kong, Korea, and Thailand with respect to the United States Dollar from 1991 to 2005. We find that the return time series show multifractal spectrum features for all four cases. To observe the effect of the Asian currency crisis, we als…
In this paper, we numerically investigate the length spectra and the low-lying eigenvalue spectra of the Laplace-Beltrami operator for a large number of small compact(closed) hyperbolic (CH) 3-manifolds. The first non-zero eigenvalues have been successfully computed using the periodic orbit sum method, which are compar…
Tomova, along with results of Bachman and Schleimer, showed that any high distance knot has a stair-step bridge spectrum. In this paper, we compute the bridge spectra and distance of generalized Montesinos knots. In particular, we produce the first example of a class of knots which attain the stair-step bridge spectra …
Adaptive Bayesian model for covariate-dependent power spectra analysis.
New ICA method for sources with mixed spectra.
Jones-Wenzl projectors lifted to Khovanov spectra, proving knot conjectures.
We give a method to calculate spectra of the square of the Rarita-Schwinger operator on compact symmetric spaces. According to Weitzenböck formulas, the operator can be written by the Laplace operator, which is the Casimir operator on compact symmetric spaces. Then we can obtain the spectra by using the Freudenthal's f…
We introduce a framework, twisted parametrized stable homotopy theory, for describing semi-infinite homotopy types. A twisted parametrized spectrum is a section of a bundle whose fibre is the category of spectra. We define these bundles in terms of modules over a stack of parametrized spectra and in terms of diagrams o…
Functor decomposes Khovanov spectra for non-alternating diagrams.
Novel construction of Bauer--Furuta invariant using sheaves of spectra.
Study on sine-cones' spectra and stability under Ricci-de Turck flow.
We prove explicit upper and lower bounds for the -moment spectra for the Brownian motion exit time from extrinsic metric balls of submanifolds in ambient Riemannian spaces . We assume that and both have controlled radial curvatures (mean curvature and sectional curvature, respectively) as view…
The paper describes correlations of spectra for higher rank Anosov representations.
Formulas for spectra of higher spin operators on sphere subbundles.
Study bottom of spectra on orbifolds via coverings.
The study finds effective lower bounds for spectra of random surfaces and bundles.
Integrally splits L-spectra of integers into simpler components.
We view strict ring spectra as generalized rings. The study of their algebraic K-theory is motivated by its applications to the automorphism groups of compact manifolds. Partial calculations of algebraic K-theory for the sphere spectrum are available at regular primes, but we seek more conceptual answers in terms of lo…
Wavelet scattering spectra model non-Gaussian time-series, proving scale invariance for self-similar processes.
Manifold methods improve amino acid classification in LIBS spectra.
We prove the existence of a map of spectra between connective topological K-theory and connective algebraic L-theory of a complex -algebra A which is natural in A and compatible with multiplicative structures. We determine its effect on homotopy groups and as a consequence obtain a natural e…
This paper describes a novel energy-based probabilistic distribution that represents complex-valued data and explains how to apply it to direct feature extraction from complex-valued spectra. The proposed model, the complex-valued restricted Boltzmann machine (CRBM), is designed to deal with complex-valued visible unit…
We take prior-to-crash market prices (NASDAQ, Dow Jones Industrial Average) as a signal, a function of time, we project these discrete values onto a vertical axis, thus obtaining a Cantordust. We study said cantordust with the tools of multifractal analysis, obtaining spectra by definition and by lagrangian coordinates…
We prove an analogue of Farb-Masur's theorem that the length-spectra metric on moduli space is "almost isometric" to a simple model which is induced by the cone metric over the complex of curves. As an application, we know that the Teichmüller metric and the length-spectra metric are "almost isometric…
Length spectra for Riemannian metrics are well studied, while sub-Riemannian length spectra have been largely unexplored. Here we give the length spectrum for a canonical sub-Riemannian structure attached to any compact Lie group by restricting its Killing form to the sum of the root spaces. Surprisingly, the shortest …
In this article we use the "escape from subvarieties lemma" introduced by Eskin--Mozes--Oh to prove finite step rigidity results for the Jordan-Lyapunov projection spectra of Hitchin representations and the Margulis-Smilga invariant spectra of some special Margulis-Smilga spacetimes. In the process, we also prove a sim…
Paper quantifies uncertainties in EIS spectra of SOFCs, proposing VB method for online monitoring.
We introduce a new quasi-isometry invariant, called the divergence spectrum, to study finitely generated groups. We compare the concept of divergence spectrum with the other classical notions of divergence and we examine the divergence spectra of relatively hyperbolic groups. We show the existence of an infinite collec…
Bayesian framework integrates spectral deconvolution with expert reasoning for robust peak estimation.
Study compares data-driven vs model-based MRS quantification strategies, focusing on resilience to out-of-distribution effects.
For mass spectra acquired from cancer patients by MALDI or SELDI techniques, automated discrimination between cancer types or stages has often been implemented by machine learnings. These techniques typically generate "black-box" classifiers, which are difficult to interpret biologically. We develop new and efficient s…
Spaces with similar long paths have similar shapes.