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Stochastic variational inference is an established way to carry out approximate Bayesian inference for deep models. While there have been effective proposals for good initializations for loss minimization in deep learning, far less…

Machine Learning · Statistics 2019-01-28 Simone Rossi , Pietro Michiardi , Maurizio Filippone

An important issue during an engineering design process is to develop an understanding which design parameters have the most influence on the performance. Especially in the context of optimization approaches this knowledge is crucial in…

Information Theory · Computer Science 2024-10-28 Patricia Wollstadt , Sebastian Schmitt

We present a method for estimating parameters in stochastic models of biochemical reaction networks by fitting steady-state distributions using Wasserstein distances. We simulate a reaction network at different parameter settings and train…

Quantitative Methods · Quantitative Biology 2020-01-29 Kaan Öcal , Ramon Grima , Guido Sanguinetti

We present a variational approximation to the information bottleneck of Tishby et al. (1999). This variational approach allows us to parameterize the information bottleneck model using a neural network and leverage the reparameterization…

Machine Learning · Computer Science 2019-10-25 Alexander A. Alemi , Ian Fischer , Joshua V. Dillon , Kevin Murphy

In this paper, we propose an approach to obtain reduced-order models of Markov chains. Our approach is composed of two information-theoretic processes. The first is a means of comparing pairs of stationary chains on different state spaces,…

Information Theory · Computer Science 2019-05-01 Isaac J. Sledge , Jose C. Principe

Reliable robotic manipulation requires control policies that can accurately represent and adapt to uncertainty arising from contact-rich interactions. Modern data-driven methods mitigate uncertainty through large-scale training and…

Fluorescent and luminescent gene reporters allow us to dynamically quantify changes in molecular species concentration over time on the single cell level. The mathematical modeling of their interaction through multivariate dynamical models…

Quantitative Methods · Quantitative Biology 2009-07-07 Michal Komorowski , Barbel Finkenstadt , Claire V. Harper , David A. Rand

Particle dynamics and multi-agent systems provide accurate dynamical models for studying and forecasting the behavior of complex interacting systems. They often take the form of a high-dimensional system of differential equations…

Machine Learning · Computer Science 2023-08-09 Yuxuan Liu , Scott G. McCalla , Hayden Schaeffer

In this study, we address causal inference when only observational data and a valid causal ordering from the causal graph are available. We introduce a set of flow models that can recover component-wise, invertible transformation of…

Machine Learning · Computer Science 2024-12-16 Minh Khoa Le , Kien Do , Truyen Tran

The relationship between components of biochemical network and the resulting dynamics of the overall system is a key focus of computational biology. However, as these networks and resulting mathematical models are inherently complex and…

Molecular Networks · Quantitative Biology 2015-02-13 Simon West , Lloyd J. Bridge , Michael R. H. White , Pawel Paszek , Vadim N. Biktashev

We consider stochastic descriptions of chemical reaction networks in which there are both fast and slow reactions, and for which the time scales are widely separated. We develop a computational algorithm that produces the generator of the…

Dynamical Systems · Mathematics 2015-12-11 Xingye Kan , Chang Hyeong Lee , Hans G. Othmer

In chemical reaction network theory, ordinary differential equations are used to model the temporal change of chemical species concentration. As the functional form of these ordinary differential equations systems is derived from an…

Molecular Networks · Quantitative Biology 2025-02-27 Anna C. M. Thöni , William E. Robinson , Yoram Bachrach , Wilhelm T. S. Huck , Tal Kachman

An analysis of high-dimensional data can offer a detailed description of a system but is often challenged by the curse of dimensionality. General dimensionality reduction techniques can alleviate such difficulty by extracting a few…

Methodology · Statistics 2021-09-28 Di Bo , Hoon Hwangbo , Vinit Sharma , Corey Arndt , Stephanie C. TerMaath

The quest for simplification in physics drives the exploration of concise mathematical representations for complex systems. This Dissertation focuses on the concept of dimensionality reduction as a means to obtain low-dimensional…

Machine Learning · Computer Science 2024-10-31 Eslam Abdelaleem

Reaction networks are systems in which the populations of a finite number of species evolve through predefined interactions. Such networks are found as modeling tools in many biological disciplines such as biochemistry, ecology,…

Molecular Networks · Quantitative Biology 2015-06-15 Ankit Gupta , Corentin Briat , Mustafa Khammash

An information theoretic approach inspired by quantum statistical mechanics was recently proposed as a means to optimize network models and to assess their likelihood against synthetic and real-world networks. Importantly, this method does…

Statistical Mechanics · Physics 2018-09-12 Carlo Nicolini , Vladimir Vlasov , Angelo Bifone

We propose a new method for parameter learning in Bayesian networks with qualitative influences. This method extends our previous work from networks of binary variables to networks of discrete variables with ordered values. The specified…

Artificial Intelligence · Computer Science 2012-06-26 Ad Feelders

Biochemical reaction networks frequently consist of species evolving on multiple timescales. Stochastic simulations of such networks are often computationally challenging and therefore various methods have been developed to obtain sensible…

Molecular Networks · Quantitative Biology 2017-04-20 Jae Kyoung Kim , Grzegorz A. Rempala , Hye-Won Kang

Coarse-grained modeling in molecular simulations serves not only to extend accessible time and length scales beyond atomistic limits, but also to reduce high-dimensional chemical data to low-dimensional representations that expose the…

Chemical Physics · Physics 2026-05-19 Michael N. Sakano , Alejandro Strachan

How can we perform efficient inference and learning in directed probabilistic models, in the presence of continuous latent variables with intractable posterior distributions, and large datasets? We introduce a stochastic variational…

Machine Learning · Statistics 2022-12-13 Diederik P Kingma , Max Welling