symbolic regression
Symbolic Density Estimation for Discrete Distributions
Discrete probability laws underpin statistical modeling, yet the catalog of interpretable distributions has expanded only gradually through centuries of case-by-case mathematical derivations. We introduce symbolic density estimation (SDE), an unsupervised framework that automatically recovers closed-form probability mass functions by composing elementary analytic operations within a structured search space. Our method integrates domain-specific structural priors with evolutionary search and a validity-aware inference stage, and it extends to richer distribution families such as zero inflation and finite mixtures. To support systematic evaluation and future research, we contribute a benchmark dataset spanning a broad collection of commonly used discrete distributions. The proposed algorithm recovers all benchmark families with accurate parameter estimates. A real data application shows that it identifies concise and interpretable mixture models that improve goodness-of-fit over standard models.
Symbolic Regression via Neural Networks
Boddupalli, Nibodh, Matchen, Timothy, Moehlis, Jeff
Machine learning - specifically deep learning - techniques have shown their capabilities in approximating dynamics from data, but a shortcoming of traditional deep learning is that there is little insight into the underlying mapping beyond its numerical output for a given input. This limits their utility in analysis beyond simple prediction. Simultaneously, a number of strategies exist which identify models based on a fixed dictionary of basis functions, but most either require some intuition or insight about the system, or are susceptible to overfitting or a lack of parsimony. Here we present a novel approach that combines the flexibility and accuracy of deep learning approaches with the utility of symbolic solutions: a deep neural network that generates a symbolic expression for the governing equations. We first describe the architecture for our model, then show the accuracy of our algorithm across a range of classical dynamical systems. The dynamics of quantities of interest are widely modeled A number of authors have approached system identificaas differential equations, often derived from first princi-tion by fitting coefficients of a linear combination of basis 3ples. However, this is not always possible, especially whenfunctions, dating at least back to Crutchfield and McNamara . The The set of basis functions typically includes nonlinear terms, identification of models from data has seen significant ad-for example terms which would arise in a Taylor series exvances with the advent of machine learning. While deeppansion about the origin of the system3-6 or a broader class neural networks have enabled sufficient accuracy in fore-of functions7. The coefficients of the basis functions are decasting dynamic data with unprecedented versatility, thetermined through comparison of the original data points with models they represent lack closed-form expressions thatpoints from computed solutions to the fitted models. Varican be conducive to interpretation and analysis.
Experimental Design for Missing Physics
Strouwen, Arno, Micluţa-Câmpeanu, Sebastián
For most process systems, knowledge of the model structure is incomplete. This missing physics must then be learned from experimental data. Recently, a combination of universal differential equations and symbolic regression has become a popular tool to discover these missing physics. Universal differential equations employ neural networks to represent missing parts of the model structure, and symbolic regression aims to make these neural networks interpretable. These machine learning techniques require high-quality data to successfully recover the true model structure. To gather such informative data, a sequential experimental design technique is developed which is based on optimally discriminating between the plausible model structures suggested by symbolic regression. This technique is then applied to discovering the missing physics of a bioreactor.
Bayesian Inference for Missing Physics
Model-based approaches for (bio)process systems often suffer from incomplete knowledge of the underlying physical, chemical, or biological laws. Universal differential equations, which embed neural networks within differential equations, have emerged as powerful tools to learn this missing physics from experimental data. However, neural networks are inherently opaque, motivating their post-processing via symbolic regression to obtain interpretable mathematical expressions. Genetic algorithm-based symbolic regression is a popular approach for this post-processing step, but provides only point estimates and cannot quantify the confidence we should place in a discovered equation. We address this limitation by applying Bayesian symbolic regression, which uses Reversible Jump Markov Chain Monte Carlo to sample from the posterior distribution over symbolic expression trees. This approach naturally quantifies uncertainty in the recovered model structure. We demonstrate the methodology on a Lotka-Volterra predator-prey system and then show how a well-designed experiment leads to lower uncertainty in a fed-batch bioreactor case study.
Appendix A Details
More details on each of these datasets are given below. This data is referred to as "in-domain" because the validation data is generated using the same As for cache hits, they are also not counted as visits. Figure 9: MCTS-Guided decoding algorithm for Symbolic Regression with the pre-trained transformer model used for expansion and evaluation steps. MCTS algorithm (Figure 1) which can be used in a similar fashion but without sharing information with the pre-trained transformer. The approach involves fine-tuning an actor-critic-like model to adjust the pre-trained model on a group of symbolic regression instances.