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We introduce property-independent kernels for machine learning modeling of arbitrarily many molecular properties. The kernels encode molecular structures for training sets of varying size, as well as similarity measures sufficiently diffuse…

Chemical Physics · Physics 2015-03-18 Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

In biomedical studies, we are often interested in the association between different types of covariates and the times to disease events. Because the relationship between the covariates and event times is often complex, standard survival…

Methodology · Statistics 2024-01-19 Hoi Min Ng , Kin Yau Wong

Artificial intelligence is transforming financial investment decision-making frameworks, with deep reinforcement learning demonstrating substantial potential in robo-advisory applications. This paper addresses the limitations of traditional…

Portfolio Management · Quantitative Finance 2025-02-24 Gang Huang , Xiaohua Zhou , Qingyang Song

A procedure for unfolding the true distribution from experimental data is presented. Machine learning methods are applied for simultaneous identification of an apparatus function and solving of an inverse problem. A priori information about…

Data Analysis, Statistics and Probability · Physics 2011-05-26 Nikolai Gagunashvili

We present a novel kernel-based machine learning algorithm for identifying the low-dimensional geometry of the effective dynamics of high-dimensional multiscale stochastic systems. Recently, the authors developed a mathematical framework…

Dynamical Systems · Mathematics 2020-02-04 Andreas Bittracher , Stefan Klus , Boumediene Hamzi , Péter Koltai , Christof Schütte

Regressing the vector field of a dynamical system from a finite number of observed states is a natural way to learn surrogate models for such systems. A simple and interpretable way to learn a dynamical system from data is to interpolate…

Machine Learning · Statistics 2023-02-28 Lu Yang , Xiuwen Sun , Boumediene Hamzi , Houman Owhadi , Naiming Xie

Portfolio selection in the periodic investment of securities modeled by a multivariate Merton model with dependent jumps is considered. The optimization framework is designed to maximize expected terminal wealth when portfolio risk is…

Statistics Theory · Mathematics 2021-04-22 Bahareh Afhami , Mohsen Rezapour , Mohsen Madadi , Vahed Maroufy

Financial portfolio management is one of the problems that are most frequently encountered in the investment industry. Nevertheless, it is not widely recognized that both Kelly Criterion and Risk Parity collapse into Mean Variance under…

Portfolio Management · Quantitative Finance 2019-06-11 Yoshiharu Sato

Quantum machine learning is a growing research field that aims to perform machine learning tasks assisted by a quantum computer. Kernel-based quantum machine learning models are paradigmatic examples where the kernel involves quantum…

Quantum Physics · Physics 2023-02-06 Diego Tancara , Hossein T. Dinani , Ariel Norambuena , Felipe F. Fanchini , Raúl Coto

Machine learning is an established and frequently used technique in industry and academia but a standard process model to improve success and efficiency of machine learning applications is still missing. Project organizations and machine…

Portfolio optimization constitutes a cornerstone of risk management by quantifying the risk-return trade-off. Since it inherently depends on accurate parameter estimation under conditions of future uncertainty, the selection of appropriate…

Portfolio Management · Quantitative Finance 2025-08-15 Juchan Kim , Inwoo Tae , Yongjae Lee

The large amount of online data and vast array of computing resources enable current researchers in both industry and academia to employ the power of deep learning with neural networks. While deep models trained with massive amounts of data…

Machine Learning · Computer Science 2020-06-15 Shuai Tang , Virginia R. de Sa

We consider a problem of learning kernels for use in SVM classification in the multi-task and lifelong scenarios and provide generalization bounds on the error of a large margin classifier. Our results show that, under mild conditions on…

Machine Learning · Statistics 2016-08-19 Anastasia Pentina , Shai Ben-David

We propose a method for support vector machine classification using indefinite kernels. Instead of directly minimizing or stabilizing a nonconvex loss function, our algorithm simultaneously computes support vectors and a proxy kernel matrix…

Machine Learning · Computer Science 2009-08-04 Ronny Luss , Alexandre d'Aspremont

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…

Chemical Physics · Physics 2021-03-16 Michael Gastegger , Jörg Behler , Philipp Marquetand

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

Materials Science · Physics 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

In most real scenarios the construction of a risk-neutral portfolio must be performed in discrete time and with transaction costs. Two human imposed constraints are the risk-aversion and the profit maximization, which together define a…

Risk Management · Quantitative Finance 2021-12-21 G. Mazzei , F. G. Bellora , J. A. Serur

In order to estimate the conditional risk of a portfolio's return, two strategies can be advocated. A multivariate strategy requires estimating a dynamic model for the vector of risk factors, which is often challenging, when at all…

Econometrics · Economics 2019-09-12 Christian Francq , Jean-Michel Zakoian

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for…

Machine Learning · Statistics 2023-12-14 Tomoharu Iwata , Atsutoshi Kumagai

The aim of this paper is to study a new methodological framework for systemic risk measures by applying deep learning method as a tool to compute the optimal strategy of capital allocations. Under this new framework, systemic risk measures…

Mathematical Finance · Quantitative Finance 2022-07-05 Yichen Feng , Ming Min , Jean-Pierre Fouque