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We present a new, biased Monte Carlo scheme for simulating complex, cyclic peptides. Backbone atoms are equilibrated with a biased rebridging scheme, and side-chain atoms are equilibrated with a look-ahead configurational bias Monte Carlo.…

Biological Physics · Physics 2009-10-31 Minghong G. Wu , Michael W. Deem

We employ a Bayesian modelling technique for high dimensional cointegration estimation to construct low volatility portfolios from a large number of stocks. The proposed Bayesian framework effectively identifies sparse and important…

Applications · Statistics 2024-07-16 Parley R Yang , Alexander Y Shestopaloff

Multiple hypothesis testing is widely used to evaluate scientific studies involving statistical tests. However, for many of these tests, p-values are not available and are thus often approximated using Monte Carlo tests such as permutation…

Applications · Statistics 2018-10-17 Axel Gandy , Georg Hahn

We present a structural clustering algorithm for large-scale datasets of small labeled graphs, utilizing a frequent subgraph sampling strategy. A set of representatives provides an intuitive description of each cluster, supports the…

Databases · Computer Science 2016-10-03 Till Schäfer , Petra Mutzel

In this paper, we study asset selection methods to construct a sparse index tracking portfolio. For its advantage over full replication portfolio, the concept of sparse index tracking portfolio has significant attention in the field of…

Computational Engineering, Finance, and Science · Computer Science 2024-05-10 Yutaka Sakurai , Daiki Wakabayashi , Fumio Ishizaki

Identifiability of a mathematical model plays a crucial role in parameterization of the model. In this study, we establish the structural identifiability of a Susceptible-Exposed-Infected-Recovered (SEIR) model given different combinations…

Monte Carlo is a simple and flexible tool that is widely used in computational finance. In this context, it is common for the quantity of interest to be the expected value of a random variable defined via a stochastic differential equation.…

Numerical Analysis · Mathematics 2015-05-06 Desmond J. Higham

In this article, we address the challenge of identifying skilled mutual funds among a large pool of candidates, utilizing the linear factor pricing model. Assuming observable factors with a weak correlation structure for the idiosyncratic…

Methodology · Statistics 2024-11-22 Hongfei Wang , Long Feng , Ping Zhao , Zhaojun Wang

A vital stage in the mathematical modelling of real-world systems is to calibrate a model's parameters to observed data. Likelihood-free parameter inference methods, such as Approximate Bayesian Computation, build Monte Carlo samples of the…

Computation · Statistics 2021-12-23 Thomas P Prescott , Ruth E Baker

The presence of erratic or unstable paths in standard kinetic Monte Carlo simulations significantly undermines the accurate simulation and sampling of transition pathways. While typically reliable methods, such as the Gillespie algorithm,…

Statistical Mechanics · Physics 2024-12-03 Elad Korngut , Ohad Vilk , Michael Assaf

McSAS3 is the refactored successor to the original McSAS Monte Carlo small-angle scattering analysis software. It is intended to be integrated in automated data processing pipelines, but can also be used to process individual (batches of)…

Data Analysis, Statistics and Probability · Physics 2026-01-27 Brian Richard Pauw , Ingo Breßler

Quantum computers are expected to have substantial impact on the finance industry, as they will be able to solve certain problems considerably faster than the best known classical algorithms. In this article we describe such potential…

Computational Finance · Quantitative Finance 2020-11-13 Adam Bouland , Wim van Dam , Hamed Joorati , Iordanis Kerenidis , Anupam Prakash

For modeling multivariate financial time series we propose a single factor copula model together with stochastic volatility margins. This model generalizes single factor models relying on the multivariate normal distribution and allows for…

Computation · Statistics 2019-07-22 Alexander Kreuzer , Claudia Czado

Monte Carlo Tree Search (MCTS) has shown its strength for a lot of deterministic and stochastic examples, but literature lacks reports of applications to real world industrial processes. Common reasons for this are that there is no…

Artificial Intelligence · Computer Science 2021-08-05 Dorina Weichert , Felix Horchler , Alexander Kister , Marcus Trost , Johannes Hartung , Stefan Risse

The downside risk of a portfolio of (equity)assets is generally substantially higher than the downside risk of its components. In particular in times of crises when assets tend to have high correlation, the understanding of this difference…

Risk Management · Quantitative Finance 2015-03-17 Alex Langnau , Daniel Cangemi

When building statistical models for Bayesian data analysis tasks, required and optional iterative adjustments and different modelling choices can give rise to numerous candidate models. In particular, checks and evaluations throughout the…

Methodology · Statistics 2024-04-03 Anna Elisabeth Riha , Nikolas Siccha , Antti Oulasvirta , Aki Vehtari

The model-based investing using financial factors is evolving as a principal method for quantitative investment. The main challenge lies in the selection of effective factors towards excess market returns. Existing approaches, either…

Human-Computer Interaction · Computer Science 2021-04-26 Xuanwu Yue , Qiao Gu , Deyun Wang , Huamin Qu , Yong Wang

Credit default poses significant challenges to financial institutions and consumers, resulting in substantial financial losses and diminished trust. As such, credit default risk management has been a critical topic in the financial…

Computational Engineering, Finance, and Science · Computer Science 2026-01-21 Yuanhong Wu , Jingyan Xu , Wei Ye , Christina Schweikert , D. Frank Hsu

Computer simulations have become an important tool across the biomedical sciences and beyond. For many important problems several different models or hypotheses exist and choosing which one best describes reality or observed data is not…

Quantitative Methods · Quantitative Biology 2010-01-20 Tina Toni , Michael P. H. Stumpf

This paper is concerned with portfolio optimization models for creating high-quality lists of recommended items to balance the accuracy and diversity of recommendations. However, the statistics (i.e., expectation and covariance of ratings)…

Information Retrieval · Computer Science 2024-10-01 Tomoya Yanagi , Shunnosuke Ikeda , Yuichi Takano