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We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning…

Machine Learning · Computer Science 2021-04-01 Minkai Xu , Shitong Luo , Yoshua Bengio , Jian Peng , Jian Tang

Time derivatives of scalar fields occur quadratically in textbook actions. A simple Legendre transformation turns the lagrangian into a hamiltonian that is quadratic in the momenta. The path integral over the momenta is gaussian. Mean…

High Energy Physics - Theory · Physics 2017-04-19 David Amdahl , Kevin Cahill

Spoofing detection in financial trading is crucial, especially for identifying complex behaviors such as conspiracy spoofing. Traditional machine-learning approaches primarily focus on isolated node features, often overlooking the broader…

Machine Learning · Computer Science 2025-10-08 Sheng Xiang , Yidong Jiang , Yunting Chen , Dawei Cheng , Guoping Zhao , Changjun Jiang

We consider the problem of simulating loss probabilities and conditional excesses for linear asset portfolios under the t-copula model. Although in the literature on market risk management there are papers proposing efficient variance…

Risk Management · Quantitative Finance 2017-08-07 Halis Sak , İsmail Başoğlu

Data in modern economic and financial applications often arrive as a stream, requiring models and inference to be updated in real time -- yet most semiparametric methods remain batch-based and computationally impractical in large-scale…

Econometrics · Economics 2026-03-10 Xiaohong Chen , Elie Tamer , Qingsong Yao

We consider the task of generating draws from a Markov jump process (MJP) between two time-points at which the process is known. Resulting draws are typically termed bridges and the generation of such bridges plays a key role in…

Computation · Statistics 2019-01-31 Andrew Golightly , Chris Sherlock

A drawdown constraint forces the current wealth to remain above a given function of its maximum to date. We consider the portfolio optimisation problem of maximising the long-term growth rate of the expected utility of wealth subject to a…

Portfolio Management · Quantitative Finance 2013-04-23 Vladimir Cherny , Jan Obloj

Drawdown risk, an important metric in financial risk management, poses significant computational challenges due to its highly path-dependent nature. This paper proposes a unified framework for computing five important drawdown quantities…

Mathematical Finance · Quantitative Finance 2025-06-03 Pingping Zeng , Gongqiu Zhang , Weinan Zhang

We present Generative Monte Carlo (GMC), a novel paradigm for particle transport simulation that integrates generative artificial intelligence directly into the stochastic solution of the linear Boltzmann equation. By reformulating the…

Computational Physics · Physics 2025-12-17 Joseph A. Farmer , Aidan Murray , Johannes Krotz , Ryan G. McClarren

We consider the problem of approximating the moment generating function (MGF) of a truncated random variable in terms of the MGF of the underlying (i.e., untruncated) random variable. The purpose of approximating the MGF is to enable the…

Statistics Theory · Mathematics 2007-06-13 Ronald W. Butler , Andrew T. A. Wood

We study the use of Temporal-Difference learning for estimating the structural parameters in dynamic discrete choice models. Our algorithms are based on the conditional choice probability approach but use functional approximations to…

Econometrics · Economics 2022-12-23 Karun Adusumilli , Dita Eckardt

Model comparison for the purposes of selection, averaging and validation is a problem found throughout statistics. Within the Bayesian paradigm, these problems all require the calculation of the posterior probabilities of models within a…

Methodology · Statistics 2015-06-08 Yan Zhou , Adam M Johansen , John A D Aston

We consider an investor who seeks to maximize her expected utility derived from her terminal wealth relative to the maximum performance achieved over a fixed time horizon, and under a portfolio drawdown constraint, in a market with local…

Portfolio Management · Quantitative Finance 2016-10-28 Ankush Agarwal , Ronnie Sircar

In real life, it is always an urge to reach our goal in minimum effort i.e., it should have a minimum constrained path. The path may be shortest route in practical life, either physical or electronic medium. The scenario is to represents…

Neural and Evolutionary Computing · Computer Science 2014-01-14 Sounak Sadhukhan , Samar Sen Sarma

In this work we propose a new approach for the numerical simulation of kinetic equations through Monte Carlo schemes. We introduce a new technique which permits to reduce the variance of particle methods through a matching with a set of…

Mathematical Physics · Physics 2014-04-08 Pierre Degond , Giacomo Dimarco , Lorenzo Pareschi

In this paper, we present an automated parameter optimization method for trajectory generation. We formulate parameter optimization as a constrained optimization problem that can be effectively solved using Bayesian optimization. While the…

Robotics · Computer Science 2023-02-28 Max Spahn , Javier Alonso-Mora

Microstructure reconstruction and compression techniques are designed to find a microstructure with desired properties. While the microstructure reconstruction searches for a microstructure with prescribed statistical properties, the…

Materials Science · Physics 2016-01-19 Jan Havelka , Anna Kučerová , Jan Sýkora

We provide a novel approach to construct generative models for graphs. Instead of using the traditional probabilistic models or deep generative models, we propose to instead find an algorithm that generates the data. We achieve this using…

Machine Learning · Computer Science 2023-04-26 Mihai Babiac , Karolis Martinkus , Roger Wattenhofer

The use of random sampling in decision-making and control has become popular with the ease of access to graphic processing units that can generate and calculate multiple random trajectories for real-time robotic applications. In contrast to…

Robotics · Computer Science 2022-03-21 Hyung-Jin Yoon , Chuyuan Tao , Hunmin Kim , Naira Hovakimyan , Petros Voulgaris

The subject of the present study is the Monte Carlo path-integral evaluation of the moments of spectral functions. Such moments can be computed by formal differentiation of certain estimating functionals that are infinitely-differentiable…

Statistical Mechanics · Physics 2009-11-11 Cristian Predescu