Symbolic Regression

Symbolic regression discovers explicit, interpretable equations without assuming a functional form in advance. A Bayesian approach strengthens this through probability distributions over candidate expressions, thus quantifying uncertainty in the presence of noisy and limited data. Deep Symbolic Regression (DSR) uses a neural network to generate symbolic expressions, but it is designed to identify a single best-fitting expression rather than infer a posterior distribution over models. We introduce Deep Variational Inference Symbolic Regression (DVISR), a variational Bayesian extension of DSR. DVISR replaces the original reward with the integrand of the evidence lower bound. It also extends the network architecture to output distributions over constants within expressions, enabling posterior inference over both expression trees and their associated constants. We show that DVISR can recover the true posterior in simple settings, both with and without constant tokens, and we examine how its performance changes as the size of the expression space increases. These results position DVISR as a step toward scalable Bayesian symbolic regression with uncertainty over full symbolic models.

We present a framework for the simultaneous symbolic recovery of a function and its antiderivative from data. The framework rests on three ideas. First, a derivative algebra: the observation that the product rule $\frac{d}{dx}[f \cdot g] = f'g + fg'$ and the chain rule, applied to a seed set of elementary functions, generate a self-expanding system of function-derivative pairs -- a living library that grows each time a new function is discovered. Second, two complementary primitives -- EML$\,(e^u - \ln v)$, which is theoretically complete for all elementary functions, and SOL$\,(\sin u - \cos v)$, introduced here, which makes trigonometric atoms available at depth1 instead of depth$\sim$8 -- that seed the library with core atoms cheaply. Third, additive atomic forests: finite sums of primitive trees, optionally composed via multiplicative nodes, whose derivatives are fitted to data by continuous optimisation or by exhaustive search over the library. Because differentiation of each atom is determined by construction, the forest simultaneously encodes a symbolic expression $F$ and its derivative $F'$; no symbolic integration step is required. The library is not a fixed object: it self-constructs from a small seed set by recursive application of the product rule, chain rule, and the two primitives, and it can grow as newly discovered functions are folded back in. The larger the library, the richer the expressible class of candidate functions. We give conditional completeness, additive-depth, and analytic simultaneous-recovery results for the framework. Empirically, in our reported runs on 17 classification benchmarks, sparse atom combinations match or exceed XGBoost on 13 datasets while producing interpretable formulas.

Deriving governing equations from empirical observations is a longstanding challenge in science. Although artificial intelligence (AI) has demonstrated substantial capabilities in function approximation, the discovery of explainable and extrapolatable equations remains a fundamental limitation of modern AI, posing a central bottleneck for AI-driven scientific discovery. Here, we present machine collective intelligence, a unified paradigm that integrates two fundamental yet distinct traditions in computational intelligence--symbolism and metaheuristics--to enable autonomous and evolutionary discovery of governing equations. It orchestrates multiple reasoning agents to evolve their symbolic hypotheses through coordinated generation, evaluation, critique, and consolidation, enabling scientific discovery beyond single-agent inference. Across scientific systems governed by deterministic, stochastic, or previously uncharacterized dynamics, machine collective intelligence autonomously recovered the underlying governing equations without relying on hand-crafted domain knowledge. Furthermore, the resulting equations reduced extrapolation error by up to six orders of magnitude relative to deep neural networks, while condensing 0.5-1 million model parameters into just 5-40 interpretable parameters. This study marks an important shift in AI toward the autonomous discovery of principled scientific equations.

The Beagle framework, through GPU-based Genetic Programming, enables population dynamics previously unattainable (within practical time frames) by CPU-constrained Genetic Programming systems. This work explores how GPU-enabled population sizes impact the success of training for symbolic regression problems. Specifically, when using constant population sizes, we see benefits of using very narrow and deep searches (as narrow as 1000 individuals) for some problems, while other problems benefit from very broad and shallow searches (as broad as 10 million individuals). We also explore stepped population sizes that start with large populations and drop to small populations to balance the breadth and depth of search.

Symbolic regression aims to recover closed-form expressions from numerical data, but in differentiable symbolic regression the recovered expression depends not only on the grammar but also on the fixed architecture through which variables are routed during training. This is relevant to signal-processing settings in which closed-form models and interpretable nonlinear structure are useful. This architecture-specific effect has rarely been isolated directly, because existing comparisons often vary architecture together with operator family, grammar, or search procedure. Three depth-3 architectures are compared across twenty-four operator--shape--leaf combinations, holding operator family, grammar, and training protocol fixed as far as possible while varying the variable-routing architecture. Recovery changes from $0/64$ to $64/64$ trials on the same target under an architecture-plus-native-training-protocol comparison. The best architecture on one target is the worst on another, and trees with two equal-depth subtrees fail in every configuration tested ($0/3{,}776$). As a proof-of-concept mitigation, a small architecture set is trained and the hardened expression with the lowest held-out RMSE is selected. On the jointly-run subset, this improves recovery from $34.4\%$ for the only architecture present in all three configurations to $50.1\%$. On a Shockley diode target, the validation selector recovers cases missed by that baseline architecture, which by itself recovers $0/32$ seeds. Since the jointly-run subset contains only three configurations, the selector result is evidence that validation-based architecture selection is promising, not a complete benchmark. These results support treating architecture as a measurable design variable that should be reported, stress-tested, and selected using held-out validation rather than fixed a priori.

Data-driven discovery of governing equations has advanced significantly in recent years; however, existing methods often struggle in multiscale systems where dynamically significant terms may have small coefficients. Therefore, we propose Balance-Guided SINDy (BG-SINDy) inspired by the principle of dominant balance, which reformulates $\ell_0$-constrained sparse regression as a term-level $\ell_{2,0}$-regularized problem and solves it using a progressive pruning strategy. Terms are ranked according to their relative contributions to the governing equation balance rather than their absolute coefficient magnitudes. Based on this criterion, BG-SINDy alternates between least-squares regression and elimination of negligible terms, thereby preserving dynamically significant terms even when their coefficients are small. Numerical experiments on the Korteweg--de Vries equation with a small dispersion coefficient, a modified Burgers equation with vanishing hyperviscosity, a modified Kuramoto--Sivashinsky equation with multiple small-coefficient terms, and a two-dimensional reaction--diffusion system demonstrate the validity of BG-SINDy in discovering small-coefficient terms. The proposed method thus provides an efficient approach for discovering governing equations that contain small-coefficient terms.

Symbolic regression (SR) with genetic programming (GP) aims to discover interpretable mathematical expressions directly from data. Despite its strong empirical success, the theoretical understanding of why GP-based SR generalizes beyond the training data remains limited. In this work, we provide a learning-theoretic analysis of SR models represented as expression trees. We derive a generalization bound for GP-style SR under constraints on tree size, depth, and learnable constants. Our result decomposes the generalization gap into two interpretable components: a structure-selection term, reflecting the combinatorial complexity of choosing an expression-tree structure, and a constant-fitting term, capturing the complexity of optimizing numerical constants within a fixed structure. This decomposition provides a theoretical perspective on several widely used practices in GP, including parsimony pressure, depth limits, numerically stable operators, and interval arithmetic. In particular, our analysis shows how structural restrictions reduce hypothesis-class growth while stability mechanisms control the sensitivity of predictions to parameter perturbations. By linking these practical design choices to explicit complexity terms in the generalization bound, our work offers a principled explanation for commonly observed empirical behaviors in GP-based SR and contributes towards a more rigorous understanding of its generalization properties.

Symbolic regression (SR) has gained recent traction in AI-driven scientific discovery for learning closed-form physical laws. Yet existing methods are dominated by heuristic search or data-intensive approaches that often assume low-noise regimes and lack principled uncertainty quantification, while fully probabilistic SR formulations remain scarce. We introduce a scalable probabilistic framework for SR, VaSST, based on variational inference. VaSST uses soft symbolic trees, a continuous relaxation of symbolic expression trees in which discrete operator and feature assignments are replaced by probability distributions over allowable components. This transforms combinatorial symbolic search through an astronomically large expression space into efficient gradient-based optimization while preserving a coherent probabilistic interpretation. The learned soft representations induce posterior distributions over symbolic structures, enabling uncertainty quantification across plausible symbolic forms through posterior-aware symbolic model selection. On simulated experiments and the Feynman Symbolic Regression Database, VaSST achieves strong structural recovery and predictive accuracy compared to state-of-the-art competing SR methods.

Discovering governing equations from data remains challenging when the underlying dynamics involve nonlocal differential operators, field interactions governed by auxiliary equations, or temporal memory effects. We propose Neural Operator-based symbolic Model approximaTion and discOvery (NOMTO), a framework that extends Equation Learner-type symbolic architectures by incorporating pretrained neural operators as nodes in the symbolic network. NOMTO represents candidate equations as sparse differentiable computational graphs that combine algebraic operations with fixed neural operator surrogates pretrained to approximate nonlinear operators. We evaluate the method on model-discovery problems involving nonlocal spatial operators, couplings mediated by auxiliary field equations, and temporal integral terms representing memory effects. The results show that NOMTO can recover compact governing equations containing nonlocal operator terms, thereby extending symbolic model discovery beyond libraries restricted to local derivatives and point-wise algebraic combinations.