FunBO: Discovering Acquisition Functions for Bayesian Optimization with FunSearch

The sample efficiency of Bayesian optimization algorithms depends on carefully crafted acquisition functions (AFs) guiding the sequential collection of function evaluations. The best-performing AF can vary significantly across optimization problems, often requiring ad-hoc and problem-specific choices. This work tackles the challenge of designing novel AFs that perform well across a variety of experimental settings. Based on FunSearch, a recent work using Large Language Models (LLMs) for discovery in mathematical sciences, we propose FunBO, an LLM-based method that can be used to learn new AFs written in computer code by leveraging access to a limited number of evaluations for a set of objective functions. We provide the analytic expression of all discovered AFs and evaluate them on various global optimization benchmarks and hyperparameter optimization tasks. We show how FunBO identifies AFs that generalize well in and out of the training distribution of functions, thus outperforming established general-purpose AFs and achieving competitive performance against AFs that are customized to specific function types and are learned via transfer-learning algorithms.

Consistency of Causal Inference under the Additive Noise Model

We analyze a family of methods for statistical causal inference from sample under the so-called Additive Noise Model. While most work on the subject has concentrated on establishing the soundness of the Additive Noise Model, the statistical consistency of the resulting inference methods has received little attention. We derive general conditions under which the given family of inference methods consistently infers the causal direction in a nonparametric setting.

Identifying Finite Mixtures of Nonparametric Product Distributions and Causal Inference of Confounders

We propose a kernel method to identify finite mixtures of nonparametric product distributions. It is based on a Hilbert space embedding of the joint distribution. The rank of the constructed tensor is equal to the number of mixture components. We present an algorithm to recover the components by partitioning the data points into clusters such that the variables are jointly conditionally independent given the cluster. This method can be used to identify finite confounders.

On Causal and Anticausal Learning

We consider the problem of function estimation in the case where an underlying causal model can be inferred. This has implications for popular scenarios such as covariate shift, concept drift, transfer learning and semi-supervised learning. We argue that causal knowledge may facilitate some approaches for a given problem, and rule out others. In particular, we formulate a hypothesis for when semi-supervised learning can help, and corroborate it with empirical results.

Detecting low-complexity unobserved causes

We describe a method that infers whether statistical dependences between two observed variables X and Y are due to a "direct" causal link or only due to a connecting causal path that contains an unobserved variable of low complexity, e.g., a binary variable. This problem is motivated by statistical genetics. Given a genetic marker that is correlated with a phenotype of interest, we want to detect whether this marker is causal or it only correlates with a causal one. Our method is based on the analysis of the location of the conditional distributions P(Y|x) in the simplex of all distributions of Y. We report encouraging results on semi-empirical data.