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 Mathematical & Statistical Methods


Photonic co-processors in HPC: using LightOn OPUs for Randomized Numerical Linear Algebra

arXiv.org Machine Learning

Randomized Numerical Linear Algebra (RandNLA) is a powerful class of methods, widely used in High Performance Computing (HPC). RandNLA provides approximate solutions to linear algebra functions applied to large signals, at reduced computational costs. However, the randomization step for dimensionality reduction may itself become the computational bottleneck on traditional hardware. Leveraging near constant-time linear random projections delivered by LightOn Optical Processing Units we show that randomization can be significantly accelerated, at negligible precision loss, in a wide range of important RandNLA algorithms, such as RandSVD or trace estimators.


Physics-informed Spline Learning for Nonlinear Dynamics Discovery

arXiv.org Artificial Intelligence

Dynamical systems are typically governed by a set of linear/nonlinear differential equations. Distilling the analytical form of these equations from very limited data remains intractable in many disciplines such as physics, biology, climate science, engineering and social science. To address this fundamental challenge, we propose a novel Physics-informed Spline Learning (PiSL) framework to discover parsimonious governing equations for nonlinear dynamics, based on sparsely sampled noisy data. The key concept is to (1) leverage splines to interpolate locally the dynamics, perform analytical differentiation and build the library of candidate terms, (2) employ sparse representation of the governing equations, and (3) use the physics residual in turn to inform the spline learning. The synergy between splines and discovered underlying physics leads to the robust capacity of dealing with high-level data scarcity and noise. A hybrid sparsity-promoting alternating direction optimization strategy is developed for systematically pruning the sparse coefficients that form the structure and explicit expression of the governing equations. The efficacy and superiority of the proposed method has been demonstrated by multiple well-known nonlinear dynamical systems, in comparison with a state-of-the-art method.


Linear Convergence of the Subspace Constrained Mean Shift Algorithm: From Euclidean to Directional Data

arXiv.org Machine Learning

This paper studies linear convergence of the subspace constrained mean shift (SCMS) algorithm, a well-known algorithm for identifying a density ridge defined by a kernel density estimator. By arguing that the SCMS algorithm is a special variant of a subspace constrained gradient ascent (SCGA) algorithm with an adaptive step size, we derive linear convergence of such SCGA algorithm. While the existing research focuses mainly on density ridges in the Euclidean space, we generalize density ridges and the SCMS algorithm to directional data. In particular, we establish the stability theorem of density ridges with directional data and prove the linear convergence of our proposed directional SCMS algorithm.


Infinitesimal gradient boosting

arXiv.org Machine Learning

We define infinitesimal gradient boosting as a limit of the popular tree-based gradient boosting algorithm from machine learning. The limit is considered in the vanishing-learning-rate asymptotic, that is when the learning rate tends to zero and the number of gradient trees is rescaled accordingly. For this purpose, we introduce a new class of randomized regression trees bridging totally randomized trees and Extra Trees and using a softmax distribution for binary splitting. Our main result is the convergence of the associated stochastic algorithm and the characterization of the limiting procedure as the unique solution of a nonlinear ordinary differential equation in a infinite dimensional function space. Infinitesimal gradient boosting defines a smooth path in the space of continuous functions along which the training error decreases, the residuals remain centered and the total variation is well controlled.


Discriminative Bayesian Filtering Lends Momentum to the Stochastic Newton Method for Minimizing Log-Convex Functions

arXiv.org Machine Learning

To minimize the average of a set of log-convex functions, the stochastic Newton method iteratively updates its estimate using subsampled versions of the full objective's gradient and Hessian. We contextualize this optimization problem as sequential Bayesian inference on a latent state-space model with a discriminatively-specified observation process. Applying Bayesian filtering then yields a novel optimization algorithm that considers the entire history of gradients and Hessians when forming an update. We establish matrix-based conditions under which the effect of older observations diminishes over time, in a manner analogous to Polyak's heavy ball momentum. We illustrate various aspects of our approach with an example and review other relevant innovations for the stochastic Newton method.


CS 229 - Linear Algebra and Calculus refresher

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Remark: the vector $x$ defined above can be viewed as a $n\times1$ matrix and is more particularly called a column-vector. Remark: for matrices $A,B$, we have $(AB) T B TA T$. Remark: not all square matrices are invertible. Remark: $A$ is invertible if and only if $ A eq0$. Linearly dependence A set of vectors is said to be linearly dependent if one of the vectors in the set can be defined as a linear combination of the others.


Overview Of Stochastic Process

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This article provides an overview of stochastic process and fundamental mathematical concepts that are important to understand. Stochastic variable is a variable that moves in random order. Exchange rates, interest rates or stock prices are stochastic in nature. Stochastic variables can follow wiener or Itos process. I will start by explaining what stochastic process is.


80 Best Data Science Books That Worth Reading

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This book introduces probability, statistics and stochastic processes to students. It can be used by both students and practitioners in engineering, various sciences, finance, and other related fields. It provides a clear and intuitive approach to these topics while maintaining mathematical accuracy. You can also find courses and videos online.


CS 229 - Probabilities and Statistics refresher

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Sample space The set of all possible outcomes of an experiment is known as the sample space of the experiment and is denoted by $S$. Event Any subset $E$ of the sample space is known as an event. That is, an event is a set consisting of possible outcomes of the experiment. If the outcome of the experiment is contained in $E$, then we say that $E$ has occurred. Axiom 1 โ€• Every probability is between 0 and 1 included, i.e: Axiom 2 โ€• The probability that at least one of the elementary events in the entire sample space will occur is 1, i.e: Axiom 3 โ€• For any sequence of mutually exclusive events $E_1, ..., E_n$, we have: Permutation A permutation is an arrangement of $r$ objects from a pool of $n$ objects, in a given order.


Automated fragment identification for electron ionisation mass spectrometry: application to atmospheric measurements of halocarbons

arXiv.org Artificial Intelligence

Background: Non-target screening consists in searching a sample for all present substances, suspected or unknown, with very little prior knowledge about the sample. This approach has been introduced more than a decade ago in the field of water analysis, but is still very scarce for indoor and atmospheric trace gas measurements, despite the clear need for a better understanding of the atmospheric trace gas composition. For a systematic detection of emerging trace gases in the atmosphere, a new and powerful analytical method is gas chromatography (GC) of preconcentrated samples, followed by electron ionisation, high resolution mass spectrometry (EI-HRMS). In this work, we present data analysis tools to enable automated identification of unknown compounds measured by GC-EI-HRMS. Results: Based on co-eluting mass/charge fragments, we developed an innovative data analysis method to reliably reconstruct the chemical formulae of the fragments, using efficient combinatorics and graph theory. The method (i) does not to require the presence of the molecular ion, which is absent in $\sim$40% of EI spectra, and (ii) permits to use all measured data while giving more weight to mass/charge ratios measured with better precision. Our method has been trained and validated on >50 halocarbons and hydrocarbons with a molar masses of 30-330 g mol-1 , measured with a mass resolution of approx. 3500. For >90% of the compounds, more than 90% of the reconstructed signal is correct. Cases of wrong identification can be attributed to the scarcity of detected fragments per compound (less than six measured mass/charge) or the lack of isotopic constrain (no rare isotopocule detected). Conclusions: Our method enables to reconstruct most probable chemical formulae independently from spectral databases. Therefore, it demonstrates the suitability of EI-HRMS data for non-target analysis and paves the way for the identification of substances for which no EI mass spectrum is registered in databases. We illustrate the performances of our method for atmospheric trace gases and suggest that it may be well suited for many other types of samples.