Causal inference has gained much popularity in recent years, with interests ranging from academic, to industrial, to educational, and all in between. Concurrently, the study and usage of neural networks has also grown profoundly (albeit at a far faster rate). What we aim to do in this blog write-up is demonstrate a Neural Network causal inference architecture. We develop a fully connected neural network implementation of the popular Bayesian Causal Forest algorithm, a state of the art tree based method for estimating heterogeneous treatment effects. We compare our implementation to existing neural network causal inference methodologies, showing improvements in performance in simulation settings. We apply our method to a dataset examining the effect of stress on sleep.

Continuous-time Markov chains are used to model stochastic systems where transitions can occur at irregular times, e.g., birth-death processes, chemical reaction networks, population dynamics, and gene regulatory networks. We develop a method to learn a continuous-time Markov chain's transition rate functions from fully observed time series. In contrast with existing methods, our method allows for transition rates to depend nonlinearly on both state variables and external covariates. The Gillespie algorithm is used to generate trajectories of stochastic systems where propensity functions (reaction rates) are known. Our method can be viewed as the inverse: given trajectories of a stochastic reaction network, we generate estimates of the propensity functions. While previous methods used linear or log-linear methods to link transition rates to covariates, we use neural networks, increasing the capacity and potential accuracy of learned models. In the chemical context, this enables the method to learn propensity functions from non-mass-action kinetics. We test our method with synthetic data generated from a variety of systems with known transition rates. We show that our method learns these transition rates with considerably more accuracy than log-linear methods, in terms of mean absolute error between ground truth and predicted transition rates. We also demonstrate an application of our methods to open-loop control of a continuous-time Markov chain.

A straightforward application of semi-supervised machine learning to the problem of treatment effect estimation would be to consider data as "unlabeled" if treatment assignment and covariates are observed but outcomes are unobserved. According to this formulation, large unlabeled data sets could be used to estimate a high dimensional propensity function and causal inference using a much smaller labeled data set could proceed via weighted estimators using the learned propensity scores. In the limiting case of infinite unlabeled data, one may estimate the high dimensional propensity function exactly. However, longstanding advice in the causal inference community suggests that estimated propensity scores (from labeled data alone) are actually preferable to true propensity scores, implying that the unlabeled data is actually useless in this context. In this paper we examine this paradox and propose a simple procedure that reconciles the strong intuition that a known propensity functions should be useful for estimating treatment effects with the previous literature suggesting otherwise. Further, simulation studies suggest that direct regression may be preferable to inverse-propensity weight estimators in many circumstances.

Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose dynamics are governed by the Chemical Master Equation. Despite its simple structure, no analytic solutions to the Chemical Master Equation are known for most systems. Moreover, stochastic simulations are computationally expensive, making systematic analysis and statistical inference a challenging task. Consequently, significant effort has been spent in recent decades on the development of efficient approximation and inference methods. This article gives an introduction to basic modelling concepts as well as an overview of state of the art methods. First, we motivate and introduce deterministic and stochastic methods for modelling chemical networks, and give an overview of simulation and exact solution methods. Next, we discuss several approximation methods, including the chemical Langevin equation, the system size expansion, moment closure approximations, time-scale separation approximations and hybrid methods. We discuss their various properties and review recent advances and remaining challenges for these methods. We present a comparison of several of these methods by means of a numerical case study and highlight some of their respective advantages and disadvantages. Finally, we discuss the problem of inference from experimental data in the Bayesian framework and review recent methods developed the literature. In summary, this review gives a self-contained introduction to modelling, approximations and inference methods for stochastic chemical kinetics.