ASP-Assisted Symbolic Regression: Uncovering Hidden Physics in Fluid Mechanics

Unlike conventional Machine-Learning (ML) approaches, often criticized as "black boxes", Symbolic Regression (SR) stands out as a powerful tool for revealing interpretable mathematical relationships in complex physical systems, requiring no a priori assumptions about models' structures. Motivated by the recognition that, in fluid mechanics, an understanding of the underlying flow physics is as crucial as accurate prediction, this study applies SR to model a fundamental three-dimensional (3D) incompressible flow in a rectangular channel, focusing on the (axial) velocity and pressure fields under laminar conditions. By employing the PySR library, compact symbolic equations were derived directly from numerical simulation data, revealing key characteristics of the flow dynamics. These equations not only approximate the parabolic velocity profile and pressure drop observed in the studied fluid flow, but also perfectly coincide with analytical solutions from the literature. Furthermore, we propose an innovative approach that integrates SR with the knowledge-representation framework of Answer Set Programming (ASP), combining the generative power of SR with the declarative reasoning strengths of ASP. The proposed hybrid SR/ASP framework ensures that the SR-generated symbolic expressions are not only statistically accurate, but also physically plausible, adhering to domain-specific principles. Overall, the study highlights two key contributions: SR's ability to simplify complex flow behaviours into concise, interpretable equations, and the potential of knowledge-representation approaches to improve the reliability and alignment of data-driven SR models with domain principles. Insights from the examined 3D channel flow pave the way for integrating such hybrid approaches into efficient frameworks, [...] where explainable predictions and real-time data analysis are crucial.

(Exhaustive) Symbolic Regression and model selection by minimum description length

Symbolic regression is the machine learning method for learning functions from data. After a brief overview of the symbolic regression landscape, I will describe the two main challenges that traditional algorithms face: they have an unknown (and likely significant) probability of failing to find any given good function, and they suffer from ambiguity and poorly-justified assumptions in their function-selection procedure. To address these I propose an exhaustive search and model selection by the minimum description length principle, which allows accuracy and complexity to be directly traded off by measuring each in units of information. I showcase the resulting publicly available Exhaustive Symbolic Regression algorithm on three open problems in astrophysics: the expansion history of the universe, the effective behaviour of gravity in galaxies and the potential of the inflaton field. In each case the algorithm identifies many functions superior to the literature standards. This general purpose methodology should find widespread utility in science and beyond.

Neural Network-Guided Symbolic Regression for Interpretable Descriptor Discovery in Perovskite Catalysts

Understanding and predicting the activity of oxide perovskite catalysts for the oxygen evolution reaction (OER) requires descriptors that are both accurate and physically interpretable. While symbolic regression (SR) offers a path to discover such formulas, its performance degrades with high-dimensional inputs and small datasets. We present a two-phase framework that combines neural networks (NN), feature importance analysis, and symbolic regression (SR) to discover interpretable descriptors for OER activity in oxide perovskites. In Phase I, using a small dataset and seven structural features, we reproduce and improve the known {\mu}/t descriptor by engineering composite features and applying symbolic regression, achieving training and validation MAEs of 22.8 and 20.8 meV, respectively. In Phase II, we expand to 164 features, reduce dimensionality, and identify LUMO energy as a key electronic descriptor. A final formula using {\mu}/t, {\mu}/RA, and LUMO energy achieves improved accuracy (training and validation MAEs of 22.1 and 20.6 meV) with strong physical interpretability. Our results demonstrate that NN-guided symbolic regression enables accurate, interpretable, and physically meaningful descriptor discovery in data-scarce regimes, indicating interpretability need not sacrifice accuracy for materials informatics.

SymFlux: deep symbolic regression of Hamiltonian vector fields

We present SymFlux, a novel deep learning framework that performs symbolic regression to identify Hamiltonian functions from their corresponding vector fields on the standard symplectic plane. SymFlux models utilize hybrid CNN-LSTM architectures to learn and output the symbolic mathematical expression of the underlying Hamiltonian. Training and validation are conducted on newly developed datasets of Hamiltonian vector fields, a key contribution of this work. Our results demonstrate the model's effectiveness in accurately recovering these symbolic expressions, advancing automated discovery in Hamiltonian mechanics.

Physics-Grounded Motion Forecasting via Equation Discovery for Trajectory-Guided Image-to-Video Generation

Recent advances in diffusion-based and autoregressive video generation models have achieved remarkable visual realism. However, these models typically lack accurate physical alignment, failing to replicate real-world dynamics in object motion. This limitation arises primarily from their reliance on learned statistical correlations rather than capturing mechanisms adhering to physical laws. To address this issue, we introduce a novel framework that integrates symbolic regression (SR) and trajectory-guided image-to-video (I2V) models for physics-grounded video forecasting. Our approach extracts motion trajectories from input videos, uses a retrieval-based pre-training mechanism to enhance symbolic regression, and discovers equations of motion to forecast physically accurate future trajectories. These trajectories then guide video generation without requiring fine-tuning of existing models. Evaluated on scenarios in Classical Mechanics, including spring-mass, pendulums, and projectile motions, our method successfully recovers ground-truth analytical equations and improves the physical alignment of generated videos over baseline methods.

Dimension Reduction for Symbolic Regression

Solutions of symbolic regression problems are expressions that are composed of input variables and operators from a finite set of function symbols. One measure for evaluating symbolic regression algorithms is their ability to recover formulae, up to symbolic equivalence, from finite samples. Not unexpectedly, the recovery problem becomes harder when the formula gets more complex, that is, when the number of variables and operators gets larger. Variables in naturally occurring symbolic formulas often appear only in fixed combinations. This can be exploited in symbolic regression by substituting one new variable for the combination, effectively reducing the number of variables. However, finding valid substitutions is challenging. Here, we address this challenge by searching over the expression space of small substitutions and testing for validity. The validity test is reduced to a test of functional dependence. The resulting iterative dimension reduction procedure can be used with any symbolic regression approach. We show that it reliably identifies valid substitutions and significantly boosts the performance of different types of state-of-the-art symbolic regression algorithms.

Discovering Symmetries of ODEs by Symbolic Regression

Solving systems of ordinary differential equations (ODEs) is essential when it comes to understanding the behavior of dynamical systems. Yet, automated solving remains challenging, in particular for nonlinear systems. Computer algebra systems (CASs) provide support for solving ODEs by first simplifying them, in particular through the use of Lie point symmetries. Finding these symmetries is, however, itself a difficult problem for CASs. Recent works in symbolic regression have shown promising results for recovering symbolic expressions from data. Here, we adapt search-based symbolic regression to the task of finding generators of Lie point symmetries. With this approach, we can find symmetries of ODEs that existing CASs cannot find.

Scaling Up Unbiased Search-based Symbolic Regression

In a regression task, a function is learned from labeled data to predict the labels at new data points. The goal is to achieve small prediction errors. In symbolic regression, the goal is more ambitious, namely, to learn an interpretable function that makes small prediction errors. This additional goal largely rules out the standard approach used in regression, that is, reducing the learning problem to learning parameters of an expansion of basis functions by optimization. Instead, symbolic regression methods search for a good solution in a space of symbolic expressions. To cope with the typically vast search space, most symbolic regression methods make implicit, or sometimes even explicit, assumptions about its structure. Here, we argue that the only obvious structure of the search space is that it contains small expressions, that is, expressions that can be decomposed into a few subexpressions. We show that systematically searching spaces of small expressions finds solutions that are more accurate and more robust against noise than those obtained by state-of-the-art symbolic regression methods. In particular, systematic search outperforms state-of-the-art symbolic regressors in terms of its ability to recover the true underlying symbolic expressions on established benchmark data sets.

H-FEX: A Symbolic Learning Method for Hamiltonian Systems

Hamiltonian systems describe a broad class of dynamical systems governed by Hamiltonian functions, which encode the total energy and dictate the evolution of the system. Data-driven approaches, such as symbolic regression and neural network-based methods, provide a means to learn the governing equations of dynamical systems directly from observational data of Hamiltonian systems. However, these methods often struggle to accurately capture complex Hamiltonian functions while preserving energy conservation. To overcome this limitation, we propose the Finite Expression Method for learning Hamiltonian Systems (H-FEX), a symbolic learning method that introduces novel interaction nodes designed to capture intricate interaction terms effectively. Our experiments, including those on highly stiff dynamical systems, demonstrate that H-FEX can recover Hamiltonian functions of complex systems that accurately capture system dynamics and preserve energy over long time horizons. These findings highlight the potential of H-FEX as a powerful framework for discovering closed-form expressions of complex dynamical systems.

Decomposing Prediction Mechanisms for In-Context Recall

We introduce a new family of toy problems that combine features of linear-regression-style continuous in-context learning (ICL) with discrete associative recall. We pretrain transformer models on sample traces from this toy, specifically symbolically-labeled interleaved state observations from randomly drawn linear deterministic dynamical systems. We study if the transformer models can recall the state of a sequence previously seen in its context when prompted to do so with the corresponding in-context label. Taking a closer look at this task, it becomes clear that the model must perform two functions: (1) identify which system's state should be recalled and apply that system to its last seen state, and (2) continuing to apply the correct system to predict the subsequent states. Training dynamics reveal that the first capability emerges well into a model's training. Surprisingly, the second capability, of continuing the prediction of a resumed sequence, develops much earlier. Via out-of-distribution experiments, and a mechanistic analysis on model weights via edge pruning, we find that next-token prediction for this toy problem involves at least two separate mechanisms. One mechanism uses the discrete symbolic labels to do the associative recall required to predict the start of a resumption of a previously seen sequence. The second mechanism, which is largely agnostic to the discrete symbolic labels, performs a "Bayesian-style" prediction based on the previous token and the context. These two mechanisms have different learning dynamics. To confirm that this multi-mechanism (manifesting as separate phase transitions) phenomenon is not just an artifact of our toy setting, we used OLMo training checkpoints on an ICL translation task to see a similar phenomenon: a decisive gap in the emergence of first-task-token performance vs second-task-token performance.