Improving Monte Carlo Tree Search for Symbolic Regression

Symbolic regression aims to discover concise, interpretable mathematical expressions that satisfy desired objectives, such as fitting data, posing a highly combinatorial optimization problem. While genetic programming has been the dominant approach, recent efforts have explored reinforcement learning methods for improving search efficiency. Monte Carlo Tree Search (MCTS), with its ability to balance exploration and exploitation through guided search, has emerged as a promising technique for symbolic expression discovery. However, its traditional bandit strategies and sequential symbol construction often limit performance. In this work, we propose an improved MCTS framework for symbolic regression that addresses these limitations through two key innovations: (1) an extreme bandit allocation strategy tailored for identifying globally optimal expressions, with finite-time performance guarantees under polynomial reward decay assumptions; and (2) evolution-inspired state-jumping actions such as mutation and crossover, which enable non-local transitions to promising regions of the search space. These state-jumping actions also reshape the reward landscape during the search process, improving both robustness and efficiency. We conduct a thorough numerical study to the impact of these improvements and benchmark our approach against existing symbolic regression methods on a variety of datasets, including both ground-truth and black-box datasets. Our approach achieves competitive performance with state-of-the-art libraries in terms of recovery rate, attains favorable positions on the Pareto frontier of accuracy versus model complexity. Code is available at https://github.com/PKU-CMEGroup/MCTS-4-SR.

Discovering Mathematical Equations with Diffusion Language Model

Discovering valid and meaningful mathematical equations from observed data plays a crucial role in scientific discovery. While this task, symbolic regression, remains challenging due to the vast search space and the trade-off between accuracy and complexity. In this paper, we introduce DiffuSR, a pre-training framework for symbolic regression built upon a continuous-state diffusion language model. DiffuSR employs a trainable embedding layer within the diffusion process to map discrete mathematical symbols into a continuous latent space, modeling equation distributions effectively. Through iterative denoising, DiffuSR converts an initial noisy sequence into a symbolic equation, guided by numerical data injected via a cross-attention mechanism. We also design an effective inference strategy to enhance the accuracy of the diffusion-based equation generator, which injects logit priors into genetic programming. Experimental results on standard symbolic regression benchmarks demonstrate that DiffuSR achieves competitive performance with state-of-the-art autoregressive methods and generates more interpretable and diverse mathematical expressions.

Sym2Real: Symbolic Dynamics with Residual Learning for Data-Efficient Adaptive Control

We present Sym2Real, a fully data-driven framework that provides a principled way to train low-level adaptive controllers in a highly data-efficient manner. Using only about 10 trajectories, we achieve robust control of both a quadrotor and a racecar in the real world, without expert knowledge or simulation tuning. Our approach achieves this data efficiency by bringing symbolic regression to real-world robotics while addressing key challenges that prevent its direct application, including noise sensitivity and model degradation that lead to unsafe control. Our key observation is that the underlying physics is often shared for a system regardless of internal or external changes. Hence, we strategically combine low-fidelity simulation data with targeted real-world residual learning. Through experimental validation on quadrotor and racecar platforms, we demonstrate consistent data-efficient adaptation across six out-of-distribution sim2sim scenarios and successful sim2real transfer across five real-world conditions. More information and videos can be found at at http://generalroboticslab.com/Sym2Real

Data-Efficient Symbolic Regression via Foundation Model Distillation

Discovering interpretable mathematical equations from observed data (a.k.a. equation discovery or symbolic regression) is a cornerstone of scientific discovery, enabling transparent modeling of physical, biological, and economic systems. While foundation models pre-trained on large-scale equation datasets offer a promising starting point, they often suffer from negative transfer and poor generalization when applied to small, domain-specific datasets. In this paper, we introduce EQUATE (Equation Generation via QUality-Aligned Transfer Embeddings), a data-efficient fine-tuning framework that adapts foundation models for symbolic equation discovery in low-data regimes via distillation. EQUATE combines symbolic-numeric alignment with evaluator-guided embedding optimization, enabling a principled embedding-search-generation paradigm. Our approach reformulates discrete equation search as a continuous optimization task in a shared embedding space, guided by data-equation fitness and simplicity. Experiments across three standard public benchmarks (Feynman, Strogatz, and black-box datasets) demonstrate that EQUATE consistently outperforms state-of-the-art baselines in both accuracy and robustness, while preserving low complexity and fast inference. These results highlight EQUATE as a practical and generalizable solution for data-efficient symbolic regression in foundation model distillation settings.

$\mathcal{C}^1$-approximation with rational functions and rational neural networks

We show that suitably regular functions can be approximated in the $\mathcal{C}^1$-norm both with rational functions and rational neural networks, including approximation rates with respect to width and depth of the network, and degree of the rational functions. As consequence of our results, we further obtain $\mathcal{C}^1$-approximation results for rational neural networks with the $\text{EQL}^\div$ and ParFam architecture, both of which are important in particular in the context of symbolic regression for physical law learning.

Automated discovery of finite volume schemes using Graph Neural Networks

Graph Neural Networks (GNNs) have deeply modified the landscape of numerical simulations by demonstrating strong capabilities in approximating solutions of physical systems. However, their ability to extrapolate beyond their training domain (\textit{e.g.} larger or structurally different graphs) remains uncertain. In this work, we establish that GNNs can serve purposes beyond their traditional role, and be exploited to generate numerical schemes, in conjunction with symbolic regression. First, we show numerically and theoretically that a GNN trained on a dataset consisting solely of two-node graphs can extrapolate a first-order Finite Volume (FV) scheme for the heat equation on out-of-distribution, unstructured meshes. Specifically, if a GNN achieves a loss $\varepsilon$ on such a dataset, it implements the FV scheme with an error of $\mathcal{O}(\varepsilon)$. Using symbolic regression, we show that the network effectively rediscovers the exact analytical formulation of the standard first-order FV scheme. We then extend this approach to an unsupervised context: the GNN recovers the first-order FV scheme using only a residual loss similar to Physics-Informed Neural Networks (PINNs) with no access to ground-truth data. Finally, we push the methodology further by considering higher-order schemes: we train (i) a 2-hop and (ii) a 2-layers GNN using the same PINN loss, that autonomously discover (i) a second-order correction term to the initial scheme using a 2-hop stencil, and (ii) the classic second-order midpoint scheme. These findings follows a recent paradigm in scientific computing: GNNs are not only strong approximators, but can be active contributors to the development of novel numerical methods.

Fast Symbolic Regression Benchmarking

Symbolic regression (SR) uncovers mathematical models from data. Several benchmarks have been proposed to compare the performance of SR algorithms. However, existing ground-truth rediscovery benchmarks overemphasize the recovery of "the one" expression form or rely solely on computer algebra systems (such as SymPy) to assess success. Furthermore, existing benchmarks continue the expression search even after its discovery. We improve upon these issues by introducing curated lists of acceptable expressions, and a callback mechanism for early termination. As a starting point, we use the symbolic regression for scientific discovery (SRSD) benchmark problems proposed by Yoshitomo et al., and benchmark the two SR packages SymbolicRegression.jl and TiSR. The new benchmarking method increases the rediscovery rate of SymbolicRegression.jl from 26.7%, as reported by Yoshitomo et at., to 44.7%. Performing the benchmark takes 41.2% less computational expense. TiSR's rediscovery rate is 69.4%, while performing the benchmark saves 63% time.

Mimicking the Physicist's Eye:A VLM-centric Approach for Physics Formula Discovery

Automated discovery of physical laws from observational data in the real world is a grand challenge in AI. Current methods, relying on symbolic regression or LLMs, are limited to uni-modal data and overlook the rich, visual phenomenological representations of motion that are indispensable to physicists. This "sensory deprivation" severely weakens their ability to interpret the inherent spatio-temporal patterns within dynamic phenomena. To address this gap, we propose VIPER-R1, a multimodal model that performs Visual Induction for Physics-based Equation Reasoning to discover fundamental symbolic formulas. It integrates visual perception, trajectory data, and symbolic reasoning to emulate the scientific discovery process. The model is trained via a curriculum of Motion Structure Induction (MSI), using supervised fine-tuning to interpret kinematic phase portraits and to construct hypotheses guided by a Causal Chain of Thought (C-CoT), followed by Reward-Guided Symbolic Calibration (RGSC) to refine the formula structure with reinforcement learning. During inference, the trained VIPER-R1 acts as an agent: it first posits a high-confidence symbolic ansatz, then proactively invokes an external symbolic regression tool to perform Symbolic Residual Realignment (SR^2). This final step, analogous to a physicist's perturbation analysis, reconciles the theoretical model with empirical data. To support this research, we introduce PhysSymbol, a new 5,000-instance multimodal corpus. Experiments show that VIPER-R1 consistently outperforms state-of-the-art VLM baselines in accuracy and interpretability, enabling more precise discovery of physical laws. Project page: https://jiaaqiliu.github.io/VIPER-R1/

Unveiling the Actual Performance of Neural-based Models for Equation Discovery on Graph Dynamical Systems

The ``black-box'' nature of deep learning models presents a significant barrier to their adoption for scientific discovery, where interpretability is paramount. This challenge is especially pronounced in discovering the governing equations of dynamical processes on networks or graphs, since even their topological structure further affects the processes' behavior. This paper provides a rigorous, comparative assessment of state-of-the-art symbolic regression techniques for this task. We evaluate established methods, including sparse regression and MLP-based architectures, and introduce a novel adaptation of Kolmogorov-Arnold Networks (KANs) for graphs, designed to exploit their inherent interpretability. Across a suite of synthetic and real-world dynamical systems, our results demonstrate that both MLP and KAN-based architectures can successfully identify the underlying symbolic equations, significantly surpassing existing baselines. Critically, we show that KANs achieve this performance with greater parsimony and transparency, as their learnable activation functions provide a clearer mapping to the true physical dynamics. This study offers a practical guide for researchers, clarifying the trade-offs between model expressivity and interpretability, and establishes the viability of neural-based architectures for robust scientific discovery on complex systems.

Symbolic Quantile Regression for the Interpretable Prediction of Conditional Quantiles

Symbolic Regression (SR) is a well-established framework for generating interpretable or white-box predictive models. Although SR has been successfully applied to create interpretable estimates of the average of the outcome, it is currently not well understood how it can be used to estimate the relationship between variables at other points in the distribution of the target variable. Such estimates of e.g. the median or an extreme value provide a fuller picture of how predictive variables affect the outcome and are necessary in high-stakes, safety-critical application domains. This study introduces Symbolic Quantile Regression (SQR), an approach to predict conditional quantiles with SR. In an extensive evaluation, we find that SQR outperforms transparent models and performs comparably to a strong black-box baseline without compromising transparency. We also show how SQR can be used to explain differences in the target distribution by comparing models that predict extreme and central outcomes in an airline fuel usage case study. We conclude that SQR is suitable for predicting conditional quantiles and understanding interesting feature influences at varying quantiles.