Daily Papers

The symbolic discovery of Ordinary Differential Equations (ODEs) from trajectory data plays a pivotal role in AI-driven scientific discovery. Existing symbolic methods predominantly rely on fixed, pre-collected training datasets, which often result in suboptimal performance, as demonstrated in our case study in Figure 1. Drawing inspiration from active learning, we investigate strategies to query informative trajectory data that can enhance the evaluation of predicted ODEs. However, the butterfly effect in dynamical systems reveals that small variations in initial conditions can lead to drastically different trajectories, necessitating the storage of vast quantities of trajectory data using conventional active learning. To address this, we introduce Active Symbolic Discovery of Ordinary Differential Equations via Phase Portrait Sketching (APPS). Instead of directly selecting individual initial conditions, our APPS first identifies an informative region within the phase space and then samples a batch of initial conditions from this region. Compared to traditional active learning methods, APPS mitigates the gap of maintaining a large amount of data. Extensive experiments demonstrate that APPS consistently discovers more accurate ODE expressions than baseline methods using passively collected datasets.

Biochemical networks propagate the signals that regulate cellular behaviour, and which routes carry them depends on cellular context: a shift in context rewires the network's effective dynamics. Mechanistic simulators are misspecified here because the effective dynamics emerge from an interaction structure that is only partially known. Model discovery instead learns the dynamics from data, but sparse, correlated measurements poorly identify a full network model. What matters is narrower: the portion the context rewires. We introduce conditionally coarse-grained ODEs (Co^2ODE), which model that portion as a sparse neural or symbolic ODE: a conditional mask selects the markers carrying the rewiring, and a variational autoencoder compresses the remaining markers into a learnt closure term. On single-cell phosphoproteomic data spanning 30 cancer-relevant overexpressions, Co^2ODE compresses a 30-marker panel into a 10-dimensional state while matching the predictive accuracy of a neural ODE fit to the full panel. The closure absorbs what the mask drops, hence the accuracy is insensitive to which markers are kept. Adding a prior score to the loss shifts the selected markers at no cost in fit, indicating the data are not interventional enough to identify the underlying biology.

We introduce ODEFormer, the first transformer able to infer multidimensional ordinary differential equation (ODE) systems in symbolic form from the observation of a single solution trajectory. We perform extensive evaluations on two datasets: (i) the existing "Strogatz" dataset featuring two-dimensional systems; (ii) ODEBench, a collection of one- to four-dimensional systems that we carefully curated from the literature to provide a more holistic benchmark. ODEFormer consistently outperforms existing methods while displaying substantially improved robustness to noisy and irregularly sampled observations, as well as faster inference. We release our code, model and benchmark dataset publicly.

Given ample experimental data from a system governed by differential equations, it is possible to use deep learning techniques to construct the underlying differential operators. In this work we perform symbolic discovery of differential operators in a situation where there is sparse experimental data. This small data regime in machine learning can be made tractable by providing our algorithms with prior information about the underlying dynamics. Physics Informed Neural Networks (PINNs) have been very successful in this regime (reconstructing entire ODE solutions using only a single point or entire PDE solutions with very few measurements of the initial condition). We modify the PINN approach by adding a neural network that learns a representation of unknown hidden terms in the differential equation. The algorithm yields both a surrogate solution to the differential equation and a black-box representation of the hidden terms. These hidden term neural networks can then be converted into symbolic equations using symbolic regression techniques like AI Feynman. In order to achieve convergence of these neural networks, we provide our algorithms with (noisy) measurements of both the initial condition as well as (synthetic) experimental data obtained at later times. We demonstrate strong performance of this approach even when provided with very few measurements of noisy data in both the ODE and PDE regime.

What mathematical functions do neural network components learn? Symbolic distillation addresses this question by expressing neural network components with interpretable, closed-form mathematical expressions that expose the functional structure learned during training. We develop symbolic distillation as a systematic, architecture-agnostic methodology, and release our approach as the open-source SymTorch package - a PySR-powered library built natively for the PyTorch ecosystem. Applying this methodology across diverse architectures, we find that SymTorch is successful in the automated discovery of physical laws. Specifically, our approach (1) recovers pairwise interaction forces from graph neural networks trained on empirical n-body observations, (2) distills the exact closed-form PDE/ODE solutions of multiple physical systems, including the value of constants, from physics-informed neural networks trained on sparse data, and (3) uncovers the chaotic dynamics of the Lorenz system from high-dimensional data, ultimately outperforming the base neural network on downstream prediction tasks. We further demonstrate the utility of our framework for model interpretability by providing an optimized implementation of SLIME - a symbolic extension to the LIME explainability method. SLIME consistently outperforms LIME across predictive metrics across eight popular classification and regression benchmarks, while still providing an interpretable local symbolic model. Lastly, we investigate replacing transformer MLP layers with symbolic surrogates: replacing 1-7 layers with symbolic approximations yields 2-19\% throughput improvements and up to 18.7\% VRAM reduction, with the resulting hybrid models lying on the Pareto front of throughput versus perplexity among open-source LLMs of comparable scale.

Recovering governing Ordinary Differential Equations (ODEs) from data is a central challenge in modeling dynamical systems across scientific domains. Existing approaches cast discovery as a static inference problem over fixed datasets, assuming that the observed trajectories are sufficiently informative. However, dynamical systems evolve over large state spaces, and limited data can make multiple equations observationally indistinguishable, leading to identifiability gaps and the recovery of incorrect governing equations. To address this, we introduce LLM-ACES, or LLM-guided Active Closed-loop Equation Search, a closed-loop framework that jointly optimizes symbolic hypothesis construction and adaptive data acquisition. In LLM-ACES, a large language model (LLM) proposes operator priors that partition the large search space into distinct regions, within which candidate equations are fit to the observed data. The disagreement among these candidates guides the acquisition of informative trajectories, creating a feedback loop that iteratively refines both the hypothesis space and the discovered dynamics. On 122 ODE systems spanning ODEBench and ODEBase, LLM-ACES achieves the lowest median NMSE, outperforming state-of-the-art baselines by several orders of magnitude while achieving a high symbolic accuracy of 46.2% and 52.4%, respectively. Our analysis further shows that LLM-ACES is sample-efficient, achieving better performance with one-tenth the data. Furthermore, LLM-ACES's feedback-driven data acquisition makes it robust to noise and recovers the correct symbolic structure, while baselines introduce spurious terms that fit the data locally but obscure the true governing relationships.

Discovering the underlying mathematical expressions describing a dataset is a core challenge for artificial intelligence. This is the problem of symbolic regression. Despite recent advances in training neural networks to solve complex tasks, deep learning approaches to symbolic regression are underexplored. We propose a framework that leverages deep learning for symbolic regression via a simple idea: use a large model to search the space of small models. Specifically, we use a recurrent neural network to emit a distribution over tractable mathematical expressions and employ a novel risk-seeking policy gradient to train the network to generate better-fitting expressions. Our algorithm outperforms several baseline methods (including Eureqa, the gold standard for symbolic regression) in its ability to exactly recover symbolic expressions on a series of benchmark problems, both with and without added noise. More broadly, our contributions include a framework that can be applied to optimize hierarchical, variable-length objects under a black-box performance metric, with the ability to incorporate constraints in situ, and a risk-seeking policy gradient formulation that optimizes for best-case performance instead of expected performance.

Symbolic regression corresponds to an ensemble of techniques that allow to uncover an analytical equation from data. Through a closed form formula, these techniques provide great advantages such as potential scientific discovery of new laws, as well as explainability, feature engineering as well as fast inference. Similarly, deep learning based techniques has shown an extraordinary ability of modeling complex patterns. The present paper aims at applying a recent end-to-end symbolic regression technique, i.e. the equation learner (EQL), to get an analytical equation for wind speed forecasting. We show that it is possible to derive an analytical equation that can achieve reasonable accuracy for short term horizons predictions only using few number of features.

In symbolic regression, the goal is to find an analytical expression that accurately fits experimental data with the minimal use of mathematical symbols such as operators, variables, and constants. However, the combinatorial space of possible expressions can make it challenging for traditional evolutionary algorithms to find the correct expression in a reasonable amount of time. To address this issue, Neural Symbolic Regression (NSR) algorithms have been developed that can quickly identify patterns in the data and generate analytical expressions. However, these methods, in their current form, lack the capability to incorporate user-defined prior knowledge, which is often required in natural sciences and engineering fields. To overcome this limitation, we propose a novel neural symbolic regression method, named Neural Symbolic Regression with Hypothesis (NSRwH) that enables the explicit incorporation of assumptions about the expected structure of the ground-truth expression into the prediction process. Our experiments demonstrate that the proposed conditioned deep learning model outperforms its unconditioned counterparts in terms of accuracy while also providing control over the predicted expression structure.

Symbolic equations are at the core of scientific discovery. The task of discovering the underlying equation from a set of input-output pairs is called symbolic regression. Traditionally, symbolic regression methods use hand-designed strategies that do not improve with experience. In this paper, we introduce the first symbolic regression method that leverages large scale pre-training. We procedurally generate an unbounded set of equations, and simultaneously pre-train a Transformer to predict the symbolic equation from a corresponding set of input-output-pairs. At test time, we query the model on a new set of points and use its output to guide the search for the equation. We show empirically that this approach can re-discover a set of well-known physical equations, and that it improves over time with more data and compute.

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent efforts have focused on two categories for SR methods. One is using a neural network or genetic programming to search the expression tree directly. Although this has shown promising results, the large search space poses difficulties in learning constant factors and processing high-dimensional problems. Another approach is leveraging a transformer-based model training on synthetic data and offers advantages in inference speed. However, this method is limited to fixed small numbers of dimensions and may encounter inference problems when given data is out-of-distribution compared to the synthetic data. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore DySymNet with various structures and optimize them to identify expressions that better-fitting the data. With a topology structure like neural networks, DySymNet not only tackles the challenge of high-dimensional problems but also proves effective in optimizing constants. Based on extensive numerical experiments using low-dimensional public standard benchmarks and the well-known SRBench with more variables, our method achieves state-of-the-art performance in terms of fitting accuracy and robustness to noise.

Symbolic regression (SR) aims to discover closed-form mathematical expressions that accurately describe data, offering interpretability and analytical insight beyond standard black-box models. Existing SR methods often rely on population-based search or autoregressive modeling, which struggle with scalability and symbolic consistency. We introduce LIES (Logarithm, Identity, Exponential, Sine), a fixed neural network architecture with interpretable primitive activations that are optimized to model symbolic expressions. We develop a framework to extract compact formulae from LIES networks by training with an appropriate oversampling strategy and a tailored loss function to promote sparsity and to prevent gradient instability. After training, it applies additional pruning strategies to further simplify the learned expressions into compact formulae. Our experiments on SR benchmarks show that the LIES framework consistently produces sparse and accurate symbolic formulae outperforming all baselines. We also demonstrate the importance of each design component through ablation studies.

Symbolic regression is the task of identifying a mathematical expression that best fits a provided dataset of input and output values. Due to the richness of the space of mathematical expressions, symbolic regression is generally a challenging problem. While conventional approaches based on genetic evolution algorithms have been used for decades, deep learning-based methods are relatively new and an active research area. In this work, we present SymbolicGPT, a novel transformer-based language model for symbolic regression. This model exploits the advantages of probabilistic language models like GPT, including strength in performance and flexibility. Through comprehensive experiments, we show that our model performs strongly compared to competing models with respect to the accuracy, running time, and data efficiency.

Symbolic regression (SR) is a challenging task in machine learning that involves finding a mathematical expression for a function based on its values. Recent advancements in SR have demonstrated the effectiveness of pretrained transformer-based models in generating equations as sequences, leveraging large-scale pretraining on synthetic datasets and offering notable advantages in terms of inference time over GP-based methods. However, these models primarily rely on supervised pretraining goals borrowed from text generation and overlook equation-specific objectives like accuracy and complexity. To address this, we propose TPSR, a Transformer-based Planning strategy for Symbolic Regression that incorporates Monte Carlo Tree Search into the transformer decoding process. Unlike conventional decoding strategies, TPSR enables the integration of non-differentiable feedback, such as fitting accuracy and complexity, as external sources of knowledge into the transformer-based equation generation process. Extensive experiments on various datasets show that our approach outperforms state-of-the-art methods, enhancing the model's fitting-complexity trade-off, extrapolation abilities, and robustness to noise

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

Discovering governing equations from observational data remains a fundamental challenge in scientific modeling, particularly when the underlying mathematical structure is unknown. Traditional sparse identification methods like SINDy excel at discovering parsimonious models but require researchers to specify candidate basis functions a priori, a limitation that often leads to model failure when critical terms are omitted or when systems exhibit unconventional dynamics. Purely symbolic regression approaches offer unlimited flexibility but struggle with noise sensitivity and frequently produce overly complex, unstable equations. We present AutoSINDy, a hybrid Discovery-then-Solve framework that combines the exploratory power of symbolic regression with the robust sparsity-promoting capabilities of SINDy. Our method operates in three stages: (1) PySR-based symbolic regression discovers candidate functional forms from bootstrapped data chunks; (2) a curation pipeline decomposes, expands, and filters these expressions using collinearity analysis to construct a minimal yet comprehensive library; and (3) SINDy identifies sparse governing equations from this custom-tailored library. Extensive experiments across canonical nonlinear systems demonstrate that AutoSINDy consistently recovers ground-truth equations even under high observational noise, achieving a ground-truth recovery rate of 92.8% across all trials. Compared with standard SINDy using enriched libraries and standalone symbolic regression, AutoSINDy achieves higher predictive accuracy, superior generalization to unseen trajectories, and substantially lower symbolic complexity.

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to train approximations to multiple differential equations simultaneously and are thus a general purpose solver that can be adapted to downstream tasks. Current PDE foundation models focus on either learning general solution operators and/or the governing system of equations, and thus only handle numerical or symbolic modalities. However, real-world applications may require more flexible data modalities, e.g. text analysis or descriptive outputs. To address this gap, we propose a novel multimodal deep learning approach that leverages a transformer-based architecture to approximate solution operators for a wide variety of ODEs and PDEs. Our method integrates numerical inputs, such as equation parameters and initial conditions, with text descriptions of physical processes or system dynamics. This enables our model to handle settings where symbolic representations may be incomplete or unavailable. In addition to providing accurate numerical predictions, our approach generates interpretable scientific text descriptions, offering deeper insights into the underlying dynamics and solution properties. The numerical experiments show that our model provides accurate solutions for in-distribution data (with average relative error less than 3.3%) and out-of-distribution data (average relative error less than 7.8%) together with precise text descriptions (with correct descriptions generated 100% of times). In certain tests, the model is also shown to be capable of extrapolating solutions in time.

A data-driven computational method is introduced to extract chemical reaction mechanisms from time series chemical concentration data. It is realized through the use of dynamic symbolic regression in which a sparse analytical form for a dynamical system is discoverable from the underlying data. We specifically develop the stoichiometrically-informed symbolic regression (SISR) method to address a standing challenge in complex chemical reaction networks: Given a time-series dataset of concentrations of several components, what is the mechanism and the associated rate constants? SISR finds the optimal mechanism, kinetic equations and rate constants by combining differential optimization with a genetic optimization approach that searches a symbolic space of possible reaction mechanisms. Use of SISR in several paradigmatic examples spanning linear and nonlinear reaction schemes results in excellent agreement between true and predicted mechanisms, including when the method is applied to noisy data. The advantages of a stoichiometrically-informed approach such as SISR to address reaction discovery is illustrated through comparison with the use of generic state-of-the-art data-driven approaches.

Symbolic regression (SR) is an area of interpretable machine learning that aims to identify mathematical expressions, often composed of simple functions, that best fit in a given set of covariates X and response y. In recent years, deep symbolic regression (DSR) has emerged as a popular method in the field by leveraging deep reinforcement learning to solve the complicated combinatorial search problem. In this work, we propose an alternative framework (GFN-SR) to approach SR with deep learning. We model the construction of an expression tree as traversing through a directed acyclic graph (DAG) so that GFlowNet can learn a stochastic policy to generate such trees sequentially. Enhanced with an adaptive reward baseline, our method is capable of generating a diverse set of best-fitting expressions. Notably, we observe that GFN-SR outperforms other SR algorithms in noisy data regimes, owing to its ability to learn a distribution of rewards over a space of candidate solutions.

In nature, the behaviors of many complex systems can be described by parsimonious math equations. Automatically distilling these equations from limited data is cast as a symbolic regression process which hitherto remains a grand challenge. Keen efforts in recent years have been placed on tackling this issue and demonstrated success in symbolic regression. However, there still exist bottlenecks that current methods struggle to break when the discrete search space tends toward infinity and especially when the underlying math formula is intricate. To this end, we propose a novel Reinforcement Symbolic Regression Machine (RSRM) that masters the capability of uncovering complex math equations from only scarce data. The RSRM model is composed of three key modules: (1) a Monte Carlo tree search (MCTS) agent that explores optimal math expression trees consisting of pre-defined math operators and variables, (2) a Double Q-learning block that helps reduce the feasible search space of MCTS via properly understanding the distribution of reward, and (3) a modulated sub-tree discovery block that heuristically learns and defines new math operators to improve representation ability of math expression trees. Biding of these modules yields the state-of-the-art performance of RSRM in symbolic regression as demonstrated by multiple sets of benchmark examples. The RSRM model shows clear superiority over several representative baseline models.

In an era where symbolic mathematical equations are indispensable for modeling complex natural phenomena, scientific inquiry often involves collecting observations and translating them into mathematical expressions. Recently, deep learning has emerged as a powerful tool for extracting insights from data. However, existing models typically specialize in either numeric or symbolic domains, and are usually trained in a supervised manner tailored to specific tasks. This approach neglects the substantial benefits that could arise from a task-agnostic unified understanding between symbolic equations and their numeric counterparts. To bridge the gap, we introduce SNIP, a Symbolic-Numeric Integrated Pre-training, which employs joint contrastive learning between symbolic and numeric domains, enhancing their mutual similarities in the pre-trained embeddings. By performing latent space analysis, we observe that SNIP provides cross-domain insights into the representations, revealing that symbolic supervision enhances the embeddings of numeric data and vice versa. We evaluate SNIP across diverse tasks, including symbolic-to-numeric mathematical property prediction and numeric-to-symbolic equation discovery, commonly known as symbolic regression. Results show that SNIP effectively transfers to various tasks, consistently outperforming fully supervised baselines and competing strongly with established task-specific methods, especially in few-shot learning scenarios where available data is limited.

Symbolic regression plays a crucial role in modern scientific research thanks to its capability of discovering concise and interpretable mathematical expressions from data. A grand challenge lies in the arduous search for parsimonious and generalizable mathematical formulas, in an infinite search space, while intending to fit the training data. Existing algorithms have faced a critical bottleneck of accuracy and efficiency over a decade when handling problems of complexity, which essentially hinders the pace of applying symbolic regression for scientific exploration across interdisciplinary domains. To this end, we introduce a parallelized tree search (PTS) model to efficiently distill generic mathematical expressions from limited data. Through a series of extensive experiments, we demonstrate the superior accuracy and efficiency of PTS for equation discovery, which greatly outperforms the state-of-the-art baseline models on over 80 synthetic and experimental datasets (e.g., lifting its performance by up to 99% accuracy improvement and one-order of magnitude speed up). PTS represents a key advance in accurate and efficient data-driven discovery of symbolic, interpretable models (e.g., underlying physical laws) and marks a pivotal transition towards scalable symbolic learning.

Neural ordinary differential equations (neural ODEs) have rapidly gained prominence as a powerful and unifying framework for conceptualizing artificial neural networks, elegantly connecting the continuous-time modeling of dynamical systems with the discrete, data-driven paradigm of modern deep learning. Beyond their practical advantages they offer fresh theoretical insights into the training and generalization properties of neural networks. The distinctive feature of this framework is its dual dynamical nature: inference dynamics, which govern the ODE evolution during forward computation, and training dynamics, which control the optimization of model parameters. This makes neural ODEs a particularly well-suited theoretical framework for studying a large variety of settings such as multi-layer neural networks (ResNets for example), autoregressive models (with next-token generation dynamics), generative models, and recurrent neural networks in theoretical neuroscience. In this work, we introduce a theoretically grounded class of models for studying neural ODEs trained via online stochastic gradient descent. We solve the training dynamics of these models via dynamical mean field theory and derive learning curves in the high-dimensional limit.

Symbolic regression is the problem of finding an expression that fits a dataset. Solving it requires searching a combinatorial space of candidate expressions. Neural symbolic regression can amortize that search by training a model once on synthetic data and then predicting expressions for a new dataset. But existing models still underperform genetic programming on real, noisy data. We argue that the deficit lies in the training rather than in the paradigm, and present RASR (Reinforced Amortized Symbolic Regression), a method with two key changes to the training recipe. First, we design a synthetic prior that narrows the gap with real-world data: inputs come from the prior of a tabular foundation model; constants are sampled bottom-up, conditioned on the data; targets carry heteroscedastic and structured noise; and everything is standardized. Second, we split training into two stages. Supervised pre-training maximizes the token-level likelihood of a reference expression. This is followed by reinforcement-learning post-training that aligns the model with its inference-time use by rewarding held-out fit and penalizing expression size. On the black-box track of SRBench 2.0, RASR achieves the best mean test R^2 rank of all evaluated methods. Three RASR variants, trained with different size penalties, make up most of the accuracy-complexity Pareto front. On Strogatz, our method recovers more ground-truth expressions than any baseline, and on Feynman it is competitive with the best-performing methods.

Symbolic regression seeks to uncover physical laws from experimental data by searching for closed-form expressions, which is an important task in AI-driven scientific discovery. Yet the exponential growth of the search space of expression renders the task computationally challenging. A promising yet underexplored direction for reducing the search space and accelerating training lies in *symbolic equivalence*: many expressions, although syntactically different, define the same function -- for example, log(x_1^2x_2^3), log(x_1^2)+log(x_2^3), and 2log(x_1)+3log(x_2). Existing algorithms treat such variants as distinct outputs, leading to redundant exploration and slow learning. We introduce EGG-SR, a unified framework that integrates symbolic equivalence into a class of modern symbolic regression methods, including Monte Carlo Tree Search (MCTS), Deep Reinforcement Learning (DRL), and Large Language Models (LLMs). EGG-SR compactly represents equivalent expressions through the proposed EGG module (via equality graphs), accelerating learning by: (1) pruning redundant subtree exploration in EGG-MCTS, (2) aggregating rewards across equivalent generated sequences in EGG-DRL, and (3) enriching feedback prompts in EGG-LLM. Theoretically, we show the benefit of embedding EGG into learning: it tightens the regret bound of MCTS and reduces the variance of the DRL gradient estimator. Empirically, EGG-SR consistently enhances a class of symbolic regression models across several benchmarks, discovering more accurate expressions within the same time limit. Project page is at: https://nan-jiang-group.github.io/egg-sr.

A fundamental challenge in the cognitive sciences is discovering the dynamics that govern behaviour. Take the example of spoken language, which is characterised by a highly variable and complex set of physical movements that map onto the small set of cognitive units that comprise language. What are the fundamental dynamical principles behind the movements that structure speech production? In this study, we discover models in the form of symbolic equations that govern articulatory gestures during speech. A sparse symbolic regression algorithm is used to discover models from kinematic data on the tongue and lips. We explore these candidate models using analytical techniques and numerical simulations, and find that a second-order linear model achieves high levels of accuracy, but a nonlinear force is required to properly model articulatory dynamics in approximately one third of cases. This supports the proposal that an autonomous, nonlinear, second-order differential equation is a viable dynamical law for articulatory gestures in speech. We conclude by identifying future opportunities and obstacles in data-driven model discovery and outline prospects for discovering the dynamical principles that govern language, brain and behaviour.

Symbolic regression (SR) aims to discover interpretable analytical expressions that accurately describe observed data. Amortized SR promises to be much more efficient than the predominant genetic programming SR methods, but currently struggles to scale to realistic scientific complexity. We find that a key obstacle is the lack of a fast reduction of equivalent expressions to a concise normalized form. Amortized SR has addressed this with general-purpose Computer Algebra Systems (CAS) like SymPy, but the high computational cost severely limits training and inference speed. We propose SimpliPy, a rule-based simplification engine achieving a 100-fold speed-up over SymPy at comparable quality. This enables substantial improvements in amortized SR, including scalability to much larger training sets, more efficient use of the per-expression token budget, and systematic training set decontamination with respect to equivalent test expressions. We demonstrate these advantages in our Flash-ANSR framework, which achieves much better accuracy than amortized baselines (NeSymReS, E2E) on the FastSRB benchmark. Moreover, it performs on par with state-of-the-art direct optimization (PySR) while recovering more concise rather than more complex expressions with increasing inference budget.

We formulate a hierarchical rectified flow to model data distributions. It hierarchically couples multiple ordinary differential equations (ODEs) and defines a time-differentiable stochastic process that generates a data distribution from a known source distribution. Each ODE resembles the ODE that is solved in a classic rectified flow, but differs in its domain, i.e., location, velocity, acceleration, etc. Unlike the classic rectified flow formulation, which formulates a single ODE in the location domain and only captures the expected velocity field (sufficient to capture a multi-modal data distribution), the hierarchical rectified flow formulation models the multi-modal random velocity field, acceleration field, etc., in their entirety. This more faithful modeling of the random velocity field enables integration paths to intersect when the underlying ODE is solved during data generation. Intersecting paths in turn lead to integration trajectories that are more straight than those obtained in the classic rectified flow formulation, where integration paths cannot intersect. This leads to modeling of data distributions with fewer neural function evaluations. We empirically verify this on synthetic 1D and 2D data as well as MNIST, CIFAR-10, and ImageNet-32 data. Our code is available at: https://riccizz.github.io/HRF/.

Neural ordinary differential equations (ODEs) have been attracting increasing attention in various research domains recently. There have been some works studying optimization issues and approximation capabilities of neural ODEs, but their robustness is still yet unclear. In this work, we fill this important gap by exploring robustness properties of neural ODEs both empirically and theoretically. We first present an empirical study on the robustness of the neural ODE-based networks (ODENets) by exposing them to inputs with various types of perturbations and subsequently investigating the changes of the corresponding outputs. In contrast to conventional convolutional neural networks (CNNs), we find that the ODENets are more robust against both random Gaussian perturbations and adversarial attack examples. We then provide an insightful understanding of this phenomenon by exploiting a certain desirable property of the flow of a continuous-time ODE, namely that integral curves are non-intersecting. Our work suggests that, due to their intrinsic robustness, it is promising to use neural ODEs as a basic block for building robust deep network models. To further enhance the robustness of vanilla neural ODEs, we propose the time-invariant steady neural ODE (TisODE), which regularizes the flow on perturbed data via the time-invariant property and the imposition of a steady-state constraint. We show that the TisODE method outperforms vanilla neural ODEs and also can work in conjunction with other state-of-the-art architectural methods to build more robust deep networks.

Approximating nonlinear differential equations using a neural network provides a robust and efficient tool for various scientific computing tasks, including real-time predictions, inverse problems, optimal controls, and surrogate modeling. Previous works have focused on embedding dynamical systems into networks through two approaches: learning a single solution operator (i.e., the mapping from input parametrized functions to solutions) or learning the governing system of equations (i.e., the constitutive model relative to the state variables). Both of these approaches yield different representations for the same underlying data or function. Additionally, observing that families of differential equations often share key characteristics, we seek one network representation across a wide range of equations. Our method, called Predicting Operators and Symbolic Expressions (PROSE), learns maps from multimodal inputs to multimodal outputs, capable of generating both numerical predictions and mathematical equations. By using a transformer structure and a feature fusion approach, our network can simultaneously embed sets of solution operators for various parametric differential equations using a single trained network. Detailed experiments demonstrate that the network benefits from its multimodal nature, resulting in improved prediction accuracy and better generalization. The network is shown to be able to handle noise in the data and errors in the symbolic representation, including noisy numerical values, model misspecification, and erroneous addition or deletion of terms. PROSE provides a new neural network framework for differential equations which allows for more flexibility and generality in learning operators and governing equations from data.

Symbolic regression (SR) is the problem of learning a symbolic expression from numerical data. Recently, deep neural models trained on procedurally-generated synthetic datasets showed competitive performance compared to more classical Genetic Programming (GP) algorithms. Unlike their GP counterparts, these neural approaches are trained to generate expressions from datasets given as context. This allows them to produce accurate expressions in a single forward pass at test time. However, they usually do not benefit from search abilities, which result in low performance compared to GP on out-of-distribution datasets. In this paper, we propose a novel method which provides the best of both worlds, based on a Monte-Carlo Tree Search procedure using a context-aware neural mutation model, which is initially pre-trained to learn promising mutations, and further refined from successful experiences in an online fashion. The approach demonstrates state-of-the-art performance on the well-known SRBench benchmark.

We present a novel approach to symbolic regression using vision-capable large language models (LLMs) and the ideas behind Google DeepMind's Funsearch. The LLM is given a plot of a univariate function and tasked with proposing an ansatz for that function. The free parameters of the ansatz are fitted using standard numerical optimisers, and a collection of such ansätze make up the population of a genetic algorithm. Unlike other symbolic regression techniques, our method does not require the specification of a set of functions to be used in regression, but with appropriate prompt engineering, we can arbitrarily condition the generative step. By using Kolmogorov Arnold Networks (KANs), we demonstrate that ``univariate is all you need'' for symbolic regression, and extend this method to multivariate functions by learning the univariate function on each edge of a trained KAN. The combined expression is then simplified by further processing with a language model.

We introduce Exhaustive Symbolic Integration (ESI), a method that enumerates all symbolic functions up to a given complexity k within a specified operator basis and determines which admit closed-form antiderivatives within the same class. This allows us to compute the "integrability fraction" ρ(k) (the fraction of functions whose derivatives lie within the same class), which we do for five operator bases including combinations of rational functions, powers, exponentials, logarithms and trigonometric functions. We find that ρ(k) declines at high complexity and that the operator basis has a dramatic effect -- in particular, adding the logarithm boosts ρ(k) by a factor of sim3 and produces or exacerbates a clear peak at k=6. We also deploy ESI as a novel integration algorithm, identifying three integrals that resist SymPy, Mathematica, RUBI, FriCAS, Maxima and Giac under all tested strategies. When an antiderivative can be found by multiple methods, ESI often returns the simplest form. These results reveal that the landscape of symbolic integrability is shaped primarily by the choice of operators, and that exhaustive enumeration can systematically discover integrable forms -- including novel ones -- that elude computer albegra systems.

Neural networks have a reputation for being better at solving statistical or approximate problems than at performing calculations or working with symbolic data. In this paper, we show that they can be surprisingly good at more elaborated tasks in mathematics, such as symbolic integration and solving differential equations. We propose a syntax for representing mathematical problems, and methods for generating large datasets that can be used to train sequence-to-sequence models. We achieve results that outperform commercial Computer Algebra Systems such as Matlab or Mathematica.

State of the art Symbolic Regression (SR) methods currently build specialized models, while the application of Large Language Models (LLMs) remains largely unexplored. In this work, we introduce the first comprehensive framework that utilizes LLMs for the task of SR. We propose In-Context Symbolic Regression (ICSR), an SR method which iteratively refines a functional form with an LLM and determines its coefficients with an external optimizer. ICSR leverages LLMs' strong mathematical prior both to propose an initial set of possible functions given the observations and to refine them based on their errors. Our findings reveal that LLMs are able to successfully find symbolic equations that fit the given data, matching or outperforming the overall performance of the best SR baselines on four popular benchmarks, while yielding simpler equations with better out of distribution generalization.

PySR is an open-source library for practical symbolic regression, a type of machine learning which aims to discover human-interpretable symbolic models. PySR was developed to democratize and popularize symbolic regression for the sciences, and is built on a high-performance distributed back-end, a flexible search algorithm, and interfaces with several deep learning packages. PySR's internal search algorithm is a multi-population evolutionary algorithm, which consists of a unique evolve-simplify-optimize loop, designed for optimization of unknown scalar constants in newly-discovered empirical expressions. PySR's backend is the extremely optimized Julia library SymbolicRegression.jl, which can be used directly from Julia. It is capable of fusing user-defined operators into SIMD kernels at runtime, performing automatic differentiation, and distributing populations of expressions to thousands of cores across a cluster. In describing this software, we also introduce a new benchmark, "EmpiricalBench," to quantify the applicability of symbolic regression algorithms in science. This benchmark measures recovery of historical empirical equations from original and synthetic datasets.

Deep Equilibrium Models (DEQs) and Neural Ordinary Differential Equations (Neural ODEs) are two branches of implicit models that have achieved remarkable success owing to their superior performance and low memory consumption. While both are implicit models, DEQs and Neural ODEs are derived from different mathematical formulations. Inspired by homotopy continuation, we establish a connection between these two models and illustrate that they are actually two sides of the same coin. Homotopy continuation is a classical method of solving nonlinear equations based on a corresponding ODE. Given this connection, we proposed a new implicit model called HomoODE that inherits the property of high accuracy from DEQs and the property of stability from Neural ODEs. Unlike DEQs, which explicitly solve an equilibrium-point-finding problem via Newton's methods in the forward pass, HomoODE solves the equilibrium-point-finding problem implicitly using a modified Neural ODE via homotopy continuation. Further, we developed an acceleration method for HomoODE with a shared learnable initial point. It is worth noting that our model also provides a better understanding of why Augmented Neural ODEs work as long as the augmented part is regarded as the equilibrium point to find. Comprehensive experiments with several image classification tasks demonstrate that HomoODE surpasses existing implicit models in terms of both accuracy and memory consumption.

Large language models (LLMs) are rapidly approaching the level of proficiency in university-level symbolic mathematics required for applications in advanced science and technology. However, existing benchmarks fall short in assessing the core skills of LLMs in symbolic mathematics-such as integration, differential equations, and algebraic simplification. To address this gap, we introduce ASyMOB, a novel assessment framework focused exclusively on symbolic manipulation, featuring 17,092 unique math challenges, organized by similarity and complexity. ASyMOB enables analysis of LLM generalization capabilities by comparing performance in problems that differ by simple numerical or symbolic `perturbations'. Evaluated LLMs exhibit substantial degradation in performance for all perturbation types (up to -70.3%), suggesting reliance on memorized patterns rather than deeper understanding of symbolic math, even among models achieving high baseline accuracy. Comparing LLM performance to computer algebra systems, we identify examples where they fail while LLMs succeed, as well as problems solved only by combining both approaches. Models capable of integrated code execution yielded higher accuracy compared to their performance without code, particularly stabilizing weaker models (up to +33.1% for certain perturbation types). Notably, the most advanced models (o4-mini, Gemini 2.5 Flash) demonstrate not only high symbolic math proficiency (scoring 96.8% and 97.6% on the unperturbed set), but also remarkable robustness against perturbations, (-21.7% and -21.2% vs. average -50.4% for the other models). This may indicate a recent "phase transition" in the generalization capabilities of frontier LLMs. It remains to be seen whether the path forward lies in deeper integration with sophisticated external tools, or in developing models so capable that symbolic math systems like CAS become unnecessary.

Analytical solutions to differential equations offer exact, interpretable insight but are rarely available because discovering them requires expert intuition or exhaustive search of combinatorial spaces. We introduce SIGS, a neuro-symbolic framework for equation-driven closed-form solution discovery. SIGS uses a context-free grammar to generate mathematically valid and physically meaningful building blocks, with a user-specified Ansatz prescribing how these blocks combine, embeds them into a topology-regularised continuous latent manifold, and searches this manifold in two stages: structure selection followed by coefficient refinement using gradient descent, scoring candidates only against the PDE residual and prescribed boundary and initial conditions. This design unifies symbolic reasoning with numerical optimization; the grammar constrains candidate solution blocks to be proper by construction, while the latent search makes exploration tractable and data-free. SIGS is the first neuro-symbolic method to (i) recover analytical solutions for coupled nonlinear PDE systems, (ii) discover equivalent symbolic forms when the grammar lacks the natural primitives, and (iii) produce accurate symbolic approximations for PDEs lacking known closed-form solutions. Overall, SIGS improves over existing symbolic methods by orders of magnitude in both accuracy and runtime across standard PDE benchmarks.

Embedding nonlinear dynamical systems into artificial neural networks is a powerful new formalism for machine learning. By parameterizing ordinary differential equations (ODEs) as neural network layers, these Neural ODEs are memory-efficient to train, process time-series naturally and incorporate knowledge of physical systems into deep learning models. However, the practical applications of Neural ODEs are limited due to long inference times, because the outputs of the embedded ODE layers are computed numerically with differential equation solvers that can be computationally demanding. Here we show that mathematical model order reduction methods can be used for compressing and accelerating Neural ODEs by accurately simulating the continuous nonlinear dynamics in low-dimensional subspaces. We implement our novel compression method by developing Neural ODEs that integrate the necessary subspace-projection and interpolation operations as layers of the neural network. We validate our approach by comparing it to neuron pruning and SVD-based weight truncation methods from the literature in image and time-series classification tasks. The methods are evaluated by acceleration versus accuracy when adjusting the level of compression. On this spectrum, we achieve a favourable balance over existing methods by using model order reduction when compressing a convolutional Neural ODE. In compressing a recurrent Neural ODE, SVD-based weight truncation yields good performance. Based on our results, our integration of model order reduction with Neural ODEs can facilitate efficient, dynamical system-driven deep learning in resource-constrained applications.

Explaining observed phenomena through symbolic, interpretable formulas is a fundamental goal of science. Recently, large language models (LLMs) have emerged as promising tools for symbolic equation discovery, owing to their broad domain knowledge and strong reasoning capabilities. However, most existing LLM-based systems try to guess equations directly from data, without modeling the multi-step reasoning process that scientists often follow: first inferring physical properties such as symmetries, then using these as priors to restrict the space of candidate equations. We introduce KeplerAgent, an agentic framework that explicitly follows this scientific reasoning process. The agent coordinates physics-based tools to extract intermediate structure and uses these results to configure symbolic regression engines such as PySINDy and PySR, including their function libraries and structural constraints. Across a suite of physical equation benchmarks, KeplerAgent achieves substantially higher symbolic accuracy and greater robustness to noisy data than both LLM and traditional baselines.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Estimating the symbolic or analytical form of probability density functions (PDFs) from observed samples is a fundamental challenge in statistical and computational modelling. This process is critical for deriving interpretable and generalizable relationships characterizing the underlying phenomenon. Traditionally, this estimation depends strongly on domain expertise and prior field-specific knowledge, with experts selecting appropriate functional forms or parametric families based on empirical evidence and theoretical understanding. The coefficients of these forms are then typically determined through parameter estimation. In this paper, we develop a framework for estimating symbolic expressions of unnormalized distributions from observed samples using domain-specific prior knowledge, such as the range of interactions and a predefined set of primitive functions. We integrate deep generative models with symbolic regression (SR), incorporating inductive biases, such as factorizing large distributions, to keep the problem tractable. The deep generative models we examine include likelihood-based models, viz., flow models, and score-based models. Experiments show the effectiveness of the proposed framework for estimating density functions for multivariate toy distributions as well as lattices from computational physics, namely, XY model and ϕ^4 theory. When applied to the renormalization problem in ϕ^4 theory, the proposed framework estimates compact symbolic approximations of the hamiltonian function at different scales directly from samples, yielding expressions that may be challenging to derive using traditional perturbative or analytic approaches in nonperturbative settings.

The numerical solution of implicit and stiff differential equations by implicit numerical integrators has been largely investigated and there exist many excellent efficient codes available in the scientific community, as Radau5 (based on a Runge-Kutta collocation method at Radau points) and Dassl, based on backward differentiation formulas, among the others. When solving fractional ordinary differential equations (ODEs), the derivative operator is replaced by a non-local one and the fractional ODE is reformulated as a Volterra integral equation, to which these codes cannot be directly applied. This article is a follow-up of the article by the authors (Guglielmi and Hairer, SISC, 2025) for differential equations with distributed delays. The main idea is to approximate the fractional kernel t^{α-1}/ Γ(α) (α>0) by a sum of exponential functions or by a sum of exponential functions multiplied by a monomial, and then to transform the fractional integral (of convolution type) into a set of ordinary differential equations. The augmented system is typically stiff and thus requires the use of an implicit method. It can have a very large dimension and requires a special treatment of the arising linear systems. The present work presents an algorithm for the construction of an approximation of the fractional kernel by a sum of exponential functions, and it shows how the arising linear systems in a stiff time integrator can be solved efficiently. It is explained how the code Radau5 can be used for solving fractional differential equations. Numerical experiments illustrate the accuracy and the efficiency of the proposed method. Driver examples are publicly available from the homepages of the authors.

Equation discovery aims to automate the discovery of scientific models in the form of mathematical equations from data. Technically, equation discovery is implemented by symbolic regression algorithms. Performance of symbolic regression for equation discovery is measured along two dimensions: Prediction accuracy on test data, and recovery of known groundtruth formulas. For standard regression, accuracy is typically measured on in-domain test data, for instance, by splitting a data set randomly into training and test data. While this makes sense for in-domain interpolation, which is the common goal in ordinary regression, it can be a misleading proxy for true model discovery and generalization. The obvious alternative is to measure out-of-domain accuracy. However, obtaining challenging out-of-domain test data is a non-trivial problem. Therefore, we focus on equation recovery for evaluating symbolic regression algorithms for equation discovery. The rationale is that symbolic regression algorithms that perform well in recovering known groundtruth formulas are good candidates to perform well in unknown equation discovery. Existing benchmarks for symbolic regression include equation recovery tasks, however, with only a small number of groundtruth formulas that are publicly known. Moreover, these benchmarks place less emphasis on evaluating the robustness of algorithms in terms of their behavior under changing dimensionality, sampling size, sampling distribution and sampling domain. This, however, is of central importance to practitioners wanting to discover equations for modeling natural phenomena, since data is almost certainly noisy and comes from diverse domains, distributions, and sample sizes. To fill this gap, we introduce the Equation Recovery Benchmark (ERBench), a new evaluation framework designed to rigorously assess algorithms explicitly targeting the task of equation discovery.

Differential equations in general and neural ODEs in particular are an essential technique in continuous-time system identification. While many deterministic learning algorithms have been designed based on numerical integration via the adjoint method, many downstream tasks such as active learning, exploration in reinforcement learning, robust control, or filtering require accurate estimates of predictive uncertainties. In this work, we propose a novel approach towards estimating epistemically uncertain neural ODEs, avoiding the numerical integration bottleneck. Instead of modeling uncertainty in the ODE parameters, we directly model uncertainties in the state space. Our algorithm - distributional gradient matching (DGM) - jointly trains a smoother and a dynamics model and matches their gradients via minimizing a Wasserstein loss. Our experiments show that, compared to traditional approximate inference methods based on numerical integration, our approach is faster to train, faster at predicting previously unseen trajectories, and in the context of neural ODEs, significantly more accurate.

Large Language Models (LLMs) have emerged as transformative tools in artificial intelligence, capable of processing and understanding extensive human knowledge to enhance problem-solving across various domains. This paper explores the potential of LLMs to drive the discovery of symbolic solutions within scientific and engineering disciplines, where such solutions are crucial for advancing theoretical and practical applications. We propose a novel framework that utilizes LLMs in an evolutionary search methodology, augmented by a dynamic knowledge library that integrates and refines insights in an open-ended manner. This approach aims to tackle the dual challenges of efficiently navigating complex symbolic representation spaces and leveraging both existing and newly generated knowledge to foster open-ended innovation. By enabling LLMs to interact with and expand upon a knowledge library, we facilitate the continuous generation of novel solutions in diverse forms such as language, code, and mathematical expressions. Our experimental results demonstrate that this method not only enhances the efficiency of searching for symbolic solutions but also supports the ongoing discovery process, akin to human scientific endeavors. This study represents a first effort in conceptualizing the search for symbolic solutions as a lifelong, iterative process, marking a significant step towards harnessing AI in the perpetual pursuit of scientific and engineering breakthroughs. We have open-sourced our code and data, please visit https://github.com/pgg3/CoEvo for more information.

We investigate a relatively under-explored class of hybrid neurosymbolic models that integrate symbolic learning with neural reasoning to construct data generators meeting formal correctness criteria. In Symbolic Neural Generators (SNGs), symbolic learners examine logical specifications of feasible data from a small set of instances -- sometimes just one. Each specification in turn constrains the conditional information supplied to a neural-based generator, which rejects any instance violating the symbolic specification. Like other neurosymbolic approaches, SNG exploits the complementary strengths of symbolic and neural methods. The outcome of an SNG is a pair (H, X), where H is a symbolic description of feasible instances constructed from data, and X a set of generated new instances that satisfy the description. We introduce a semantics for such systems, based on the construction of appropriate base and fibre partially-ordered sets combined into an overall partial order. We implement an SNG combining a restricted form of Inductive Logic Programming (ILP) with a large language model (LLM) and evaluate it on early-stage drug design. Our main interest is the description and the set of potential inhibitor molecules generated by the SNG. On benchmark problems -- where drug targets are well understood -- SNG performance is statistically comparable to state-of-the-art methods. On exploratory problems with poorly understood targets, generated molecules exhibit binding affinities on par with leading clinical candidates. Experts further find the symbolic specifications useful as preliminary filters, with several generated molecules identified as viable for synthesis and wet-lab testing.

The AI community has been exploring a pathway to artificial general intelligence (AGI) by developing "language agents", which are complex large language models (LLMs) pipelines involving both prompting techniques and tool usage methods. While language agents have demonstrated impressive capabilities for many real-world tasks, a fundamental limitation of current language agents research is that they are model-centric, or engineering-centric. That's to say, the progress on prompts, tools, and pipelines of language agents requires substantial manual engineering efforts from human experts rather than automatically learning from data. We believe the transition from model-centric, or engineering-centric, to data-centric, i.e., the ability of language agents to autonomously learn and evolve in environments, is the key for them to possibly achieve AGI. In this work, we introduce agent symbolic learning, a systematic framework that enables language agents to optimize themselves on their own in a data-centric way using symbolic optimizers. Specifically, we consider agents as symbolic networks where learnable weights are defined by prompts, tools, and the way they are stacked together. Agent symbolic learning is designed to optimize the symbolic network within language agents by mimicking two fundamental algorithms in connectionist learning: back-propagation and gradient descent. Instead of dealing with numeric weights, agent symbolic learning works with natural language simulacrums of weights, loss, and gradients. We conduct proof-of-concept experiments on both standard benchmarks and complex real-world tasks and show that agent symbolic learning enables language agents to update themselves after being created and deployed in the wild, resulting in "self-evolving agents".

Modern systems in artificial intelligence (AI) somehow excel in domains for which they seem poorly suited. Intelligence has traditionally been modeled as operating over structured combinations of symbols, such as logical formulas. However, the strongest modern AI systems are based on neural networks, which instead represent information in continuous vectors. Vectors seem inadequate for capturing the structure of language, logic, and other cognitive domains, yet neural networks achieve impressive performance in these areas. How do they do it? In this work, we propose a potential answer: Despite appearances, perhaps the internal representations of neural networks implicitly realize symbolic structure. In support of this hypothesis, we show that the vector representations of a variety of neural networks can be closely approximated with symbolic structures: we can replace the network's entire representation-generating process with a closed-form equation instantiating a symbolic structure, and the network's behavior remains largely unchanged. This finding holds for both small-scale neural networks trained to manipulate lists as well as large language models (LLMs) operating in four domains that are central in symbolic traditions: arithmetic, logic, computer code, and language. Further, our symbolic approximation allows us to modify an LLM's behavior in targeted ways via precise interventions on its internal representations, showing that the LLM's behavior is reliant on the symbolic structures we have identified. This work provides a potential way to reconcile longstanding symbolic conceptions of intelligence with the vector-based nature of modern AI.

Diffusion models have achieved remarkable success in generative tasks but suffer from high computational costs due to their iterative sampling process and quadratic attention costs. Existing training-free acceleration strategies that reduce per-step computation cost, while effectively reducing sampling time, demonstrate low faithfulness compared to the original baseline. We hypothesize that this fidelity gap arises because (a) different prompts correspond to varying denoising trajectory, and (b) such methods do not consider the underlying ODE formulation and its numerical solution. In this paper, we propose Stability-guided Adaptive Diffusion Acceleration (SADA), a novel paradigm that unifies step-wise and token-wise sparsity decisions via a single stability criterion to accelerate sampling of ODE-based generative models (Diffusion and Flow-matching). For (a), SADA adaptively allocates sparsity based on the sampling trajectory. For (b), SADA introduces principled approximation schemes that leverage the precise gradient information from the numerical ODE solver. Comprehensive evaluations on SD-2, SDXL, and Flux using both EDM and DPM++ solvers reveal consistent ge 1.8times speedups with minimal fidelity degradation (LPIPS leq 0.10 and FID leq 4.5) compared to unmodified baselines, significantly outperforming prior methods. Moreover, SADA adapts seamlessly to other pipelines and modalities: It accelerates ControlNet without any modifications and speeds up MusicLDM by 1.8times with sim 0.01 spectrogram LPIPS.

In this study, we apply two pillars of Scientific Machine Learning: Neural Ordinary Differential Equations (Neural ODEs) and Universal Differential Equations (UDEs) to the Chandrasekhar White Dwarf Equation (CWDE). The CWDE is fundamental for understanding the life cycle of a star, and describes the relationship between the density of the white dwarf and its distance from the center. Despite the rise in Scientific Machine Learning frameworks, very less attention has been paid to the systematic applications of the above SciML pillars on astronomy based ODEs. Through robust modeling in the Julia programming language, we show that both Neural ODEs and UDEs can be used effectively for both prediction as well as forecasting of the CWDE. More importantly, we introduce the forecasting breakdown point - the time at which forecasting fails for both Neural ODEs and UDEs. Through a robust hyperparameter optimization testing, we provide insights on the neural network architecture, activation functions and optimizers which provide the best results. This study provides opens a door to investigate the applicability of Scientific Machine Learning frameworks in forecasting tasks for a wide range of scientific domains.

Ever since the original algorithm by Nesterov (1983), the true nature of the acceleration phenomenon has remained elusive, with various interpretations of why the method is actually faster. The diagnosis of the algorithm through the lens of Ordinary Differential Equations (ODEs) and the corresponding dynamical system formulation to explain the underlying dynamics has a rich history. In the literature, the ODEs that explain algorithms are typically derived by considering the limiting case of the algorithm maps themselves, that is, an ODE formulation follows the development of an algorithm. This obfuscates the underlying higher order principles and thus provides little evidence of the working of the algorithm. Such has been the case with Nesterov algorithm and the various analogies used to describe the acceleration phenomena, viz, momentum associated with the rolling of a Heavy-Ball down a slope, Hessian damping etc. The main focus of our work is to ideate the genesis of the Nesterov algorithm from the viewpoint of dynamical systems leading to demystifying the mathematical rigour behind the algorithm. Instead of reverse engineering ODEs from discrete algorithms, this work explores tools from the recently developed control paradigm titled Passivity and Immersion approach and the Geometric Singular Perturbation theory which are applied to arrive at the formulation of a dynamical system that explains and models the acceleration phenomena. This perspective helps to gain insights into the various terms present and the sequence of steps used in Nesterovs accelerated algorithm for the smooth strongly convex and the convex case. The framework can also be extended to derive the acceleration achieved using the triple momentum method and provides justifications for the non-convergence to the optimal solution in the Heavy-Ball method.

Foundation models for time series analysis (TSA) have attracted significant attention. However, challenges such as training data scarcity and imbalance continue to hinder their development. Inspired by complex dynamic system theories, we design a series-symbol data generation mechanism, enabling the unrestricted creation of high-quality time series data paired with corresponding symbolic expressions. To leverage series-symbol data pairs with strong correlations, we develop SymTime, a pre-trained foundation model for enhancing time series representation using symbolic information. SymTime demonstrates competitive performance across five major TSA tasks when fine-tunes with downstream tasks, rivaling foundation models pre-trained on real-world datasets. This approach underscores the potential of series-symbol data generation and pretraining mechanisms in overcoming data scarcity and enhancing task performance. The code is available at https://github.com/wwhenxuan/SymTime.

Recent agentic symbolic regression approaches increasingly rely on large language models to analyze data, select scientific operations, and refine hypotheses over long search trajectories. In such systems, performance depends not only on the underlying model and search strategy, but also on the runtime infrastructure that supports scientific search. We introduce SRHarness, a domain-specific harness for agentic symbolic regression built around three mechanisms: composable scientific actions that provide a common interface over raw, transformed, and candidate-derived quantities; persistent scientific state that retains evaluated hypotheses and exposes compact model-facing views; and trajectory lifecycle management that coordinates continuation, branching, restart, and termination. On LLM-SRBench, SRHarness consistently improves both numerical generalization and symbolic recovery under matched LLM backbones. With DeepSeek-v4-flash-0731, it achieves 93.69% symbolic accuracy on LSR-Transform, compared with 62.16% for SR-Scientist, and retains 72.97% accuracy on an anonymized variant that removes scientific descriptions and variable semantics, versus 39.64% for SR-Scientist. Under the same DeepSeek-v4-flash-0731 backbone, SRHarness also substantially outperforms Codex (72.97% vs. 20.72%) and reaches performance comparable to Codex with GPT-5.5, while simply providing Codex with the same scientific tools does not reproduce this advantage. These results show that effective agentic symbolic regression depends not only on models or tools, but also on structured runtime support for organizing scientific actions, accumulated hypotheses, and long-horizon search.

The advent of Scientific Machine Learning has heralded a transformative era in scientific discovery, driving progress across diverse domains. Central to this progress is uncovering scientific laws from experimental data through symbolic regression. However, existing approaches are dominated by heuristic algorithms or data-hungry black-box methods, which often demand low-noise settings and lack principled uncertainty quantification. Motivated by interpretable Statistical Artificial Intelligence, we develop a hierarchical Bayesian framework for symbolic regression that represents scientific laws as ensembles of tree-structured symbolic expressions endowed with a regularized tree prior. This coherent probabilistic formulation enables full posterior inference via an efficient Markov chain Monte Carlo algorithm, yielding a balance between predictive accuracy and structural parsimony. To guide symbolic model selection, we develop a marginal posterior-based criterion adhering to the Occam's window principle and further quantify structural fidelity to ground truth through a tailored expression-distance metric. On the theoretical front, we establish near-minimax rate of Bayesian posterior concentration, providing the first rigorous guarantee in context of symbolic regression. Empirical evaluation demonstrates robust performance of our proposed methodology against state-of-the-art competing modules on a simulated example, a suite of canonical Feynman equations, and single-atom catalysis dataset.

Nonlinear ordinary differential equations (ODEs) are powerful tools for modeling real-world dynamical systems. However, propagating initial state uncertainty through nonlinear dynamics, especially when the ODE is unknown and learned from data, remains a major challenge. This paper introduces a novel continuum dynamics perspective for model learning that enables formal uncertainty propagation by constructing Taylor series approximations of probabilistic events. We establish sufficient conditions for the soundness of the approach and prove its asymptotic convergence. Empirical results demonstrate the framework's effectiveness, particularly when predicting rare events.

Finding a compact formula that fits a set of input-output pairs and predicts outputs on unseen inputs is a fundamental problem in science. Symbolic regression automates the search for such formulae: search-based methods explore the space of possible formulae directly, while transformers pre-trained on synthetic data produce formulae of comparable quality substantially faster. Existing transformers, however, are prone to overfitting --- they find formulae that fit the training data well but do not extrapolate to input ranges unseen during training. We address this by shaping the set of formulae used to train a transformer, and show that the resulting formulae extrapolate substantially better. Fine-tuning the transformer on data with noise-corrupted target values further makes the synthesized formulae robust to noise in the observations. On SRBench and LLM-SRBench our transformer synthesizes a formula in about ten seconds and extrapolates better than all evaluated methods at a comparable budget. Search-based methods surpass our accuracy only when given one to three orders of magnitude more time.

Building a conversational embodied agent to execute real-life tasks has been a long-standing yet quite challenging research goal, as it requires effective human-agent communication, multi-modal understanding, long-range sequential decision making, etc. Traditional symbolic methods have scaling and generalization issues, while end-to-end deep learning models suffer from data scarcity and high task complexity, and are often hard to explain. To benefit from both worlds, we propose JARVIS, a neuro-symbolic commonsense reasoning framework for modular, generalizable, and interpretable conversational embodied agents. First, it acquires symbolic representations by prompting large language models (LLMs) for language understanding and sub-goal planning, and by constructing semantic maps from visual observations. Then the symbolic module reasons for sub-goal planning and action generation based on task- and action-level common sense. Extensive experiments on the TEACh dataset validate the efficacy and efficiency of our JARVIS framework, which achieves state-of-the-art (SOTA) results on all three dialog-based embodied tasks, including Execution from Dialog History (EDH), Trajectory from Dialog (TfD), and Two-Agent Task Completion (TATC) (e.g., our method boosts the unseen Success Rate on EDH from 6.1\% to 15.8\%). Moreover, we systematically analyze the essential factors that affect the task performance and also demonstrate the superiority of our method in few-shot settings. Our JARVIS model ranks first in the Alexa Prize SimBot Public Benchmark Challenge.

Distillation techniques have substantially improved the sampling speed of diffusion models, allowing of the generation within only one step or a few steps. However, these distillation methods require extensive training for each dataset, sampler, and network, which limits their practical applicability. To address this limitation, we propose a straightforward distillation approach, Distilled-ODE solvers (D-ODE solvers), that optimizes the ODE solver rather than training the denoising network. D-ODE solvers are formulated by simply applying a single parameter adjustment to existing ODE solvers. Subsequently, D-ODE solvers with smaller steps are optimized by ODE solvers with larger steps through distillation over a batch of samples. Our comprehensive experiments indicate that D-ODE solvers outperform existing ODE solvers, including DDIM, PNDM, DPM-Solver, DEIS, and EDM, especially when generating samples with fewer steps. Our method incur negligible computational overhead compared to previous distillation techniques, enabling simple and rapid integration with previous samplers. Qualitative analysis further shows that D-ODE solvers enhance image quality while preserving the sampling trajectory of ODE solvers.

This paper revisits datasets and evaluation criteria for Symbolic Regression, a task of expressing given data using mathematical equations, specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling range of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. As an evaluation metric, we also propose to use normalized edit distances between a predicted equation and the ground-truth equation trees. While existing metrics are either binary or errors between the target values and an SR model's predicted values for a given input, normalized edit distances evaluate a sort of similarity between the ground-truth and predicted equation trees. We have conducted experiments on our new SRSD datasets using five state-of-the-art SR methods in SRBench and a simple baseline based on a recent Transformer architecture. The results show that we provide a more realistic performance evaluation and open up a new machine learning-based approach for scientific discovery. Our datasets and code repository are publicly available.

Neuro-symbolic artificial intelligence (NSAI) represents a transformative approach in artificial intelligence (AI) by combining deep learning's ability to handle large-scale and unstructured data with the structured reasoning of symbolic methods. By leveraging their complementary strengths, NSAI enhances generalization, reasoning, and scalability while addressing key challenges such as transparency and data efficiency. This paper systematically studies diverse NSAI architectures, highlighting their unique approaches to integrating neural and symbolic components. It examines the alignment of contemporary AI techniques such as retrieval-augmented generation, graph neural networks, reinforcement learning, and multi-agent systems with NSAI paradigms. This study then evaluates these architectures against comprehensive set of criteria, including generalization, reasoning capabilities, transferability, and interpretability, therefore providing a comparative analysis of their respective strengths and limitations. Notably, the Neuro > Symbolic < Neuro model consistently outperforms its counterparts across all evaluation metrics. This result aligns with state-of-the-art research that highlight the efficacy of such architectures in harnessing advanced technologies like multi-agent systems.

Symbolic models make melody, harmony, rhythm, and form explicit but typically stop before a finished recording; audio models produce complete songs while leaving composition implicit. We introduce YuE2, which unifies symbolic and audio music generation at frontier quality through symbolic planning. A single AR-NAR Mixture-of-Transformers (MoT) first writes a readable score specifying melody and harmony, expands it into semantic music tokens, and realizes it as full-song audio. In comparisons using the same checkpoint, experts prefer symbolic planning for overall quality and musicality, with 49.3% of overall preferences versus 34.6% without planning. Experts also favor the unified model over a separate language model and diffusion Transformer. On WildSongBench, YuE2 scores 6.73 on SongBench Global Avg, exceeding all evaluated public baselines. Selecting from eight candidates (best-of-8), YuE2 reaches 6.96, the highest observed mean among all evaluated systems. Expert listening further establishes its competitiveness with proprietary song generators, favoring best-of-8 over Suno v4.5 and yielding nearly balanced preferences against Suno v5. To learn this generation process from recordings without aligned scores, we introduce MERT2 and SheetSage2 to supply semantic and symbolic supervision. MERT2 sets a new state of the art in music representation learning, surpassing previous best results on 14 of 15 MARBLE metrics; SheetSage2 leads 12 of 15 benchmark-metric pairs in our lead-sheet transcription comparison. The same checkpoint follows score edits while largely preserving unedited musical content and generates zero-shot covers without cover-specific training. Its readable score also enables agentic music editing, with external language models translating user feedback into revisions of the composition.

Deep generative models based on neural differential equations have quickly become the state-of-the-art for numerous generation tasks across many different applications. These models rely on ODE/SDE solvers which integrate from a prior distribution to the data distribution. In many applications it is highly desirable to then integrate in the other direction. The standard solvers, however, accumulate discretization errors which don't align with the forward trajectory, thereby prohibiting an exact inversion. In applications where the precision of the generative model is paramount this inaccuracy in inversion is often unacceptable. Current approaches to solving the inversion of these models results in significant downstream issues with poor stability and low-order of convergence; moreover, they are strictly limited to the ODE domain. In this work, we propose a new family of reversible exponential (stochastic) Runge-Kutta solvers which we refer to as Rex developed by an application of Lawson methods to convert any explicit (stochastic) Runge-Kutta scheme into a reversible one. In addition to a rigorous theoretical analysis of the proposed solvers, we also empirically demonstrate the utility of Rex on improving the sampling of Boltzmann distributions with flow models, and improving image generation and editing capabilities with diffusion models.

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/

Implicit models separate the definition of a layer from the description of its solution process. While implicit layers allow features such as depth to adapt to new scenarios and inputs automatically, this adaptivity makes its computational expense challenging to predict. In this manuscript, we increase the "implicitness" of the DEQ by redefining the method in terms of an infinite time neural ODE, which paradoxically decreases the training cost over a standard neural ODE by 2-4x. Additionally, we address the question: is there a way to simultaneously achieve the robustness of implicit layers while allowing the reduced computational expense of an explicit layer? To solve this, we develop Skip and Skip Reg. DEQ, an implicit-explicit (IMEX) layer that simultaneously trains an explicit prediction followed by an implicit correction. We show that training this explicit predictor is free and even decreases the training time by 1.11-3.19x. Together, this manuscript shows how bridging the dichotomy of implicit and explicit deep learning can combine the advantages of both techniques.

Diffusion-based generative processes, formulated as differential equation solving, frequently balance computational speed with sample quality. Our theoretical investigation of ODE- and SDE-based solvers reveals complementary weaknesses: ODE solvers accumulate irreducible gradient error along deterministic trajectories, while SDE methods suffer from amplified discretization errors when the step budget is limited. Building upon this insight, we introduce AdaSDE, a novel single-step SDE solver that aims to unify the efficiency of ODEs with the error resilience of SDEs. Specifically, we introduce a single per-step learnable coefficient, estimated via lightweight distillation, which dynamically regulates the error correction strength to accelerate diffusion sampling. Notably, our framework can be integrated with existing solvers to enhance their capabilities. Extensive experiments demonstrate state-of-the-art performance: at 5 NFE, AdaSDE achieves FID scores of 4.18 on CIFAR-10, 8.05 on FFHQ and 6.96 on LSUN Bedroom. Codes are available in https://github.com/WLU-wry02/AdaSDE.

Score-based generative modeling with probability flow ordinary differential equations (ODEs) has achieved remarkable success in a variety of applications. While various fast ODE-based samplers have been proposed in the literature and employed in practice, the theoretical understandings about convergence properties of the probability flow ODE are still quite limited. In this paper, we provide the first non-asymptotic convergence analysis for a general class of probability flow ODE samplers in 2-Wasserstein distance, assuming accurate score estimates. We then consider various examples and establish results on the iteration complexity of the corresponding ODE-based samplers.

Topical observations of the thermosphere at altitudes below 200 , km are of great benefit in advancing the understanding of the global distribution of mass, composition, and dynamical responses to geomagnetic forcing, and momentum transfer via waves. The perceived risks associated with such low altitude and short duration orbits has prohibited the launch of Discovery-class missions. Miniaturization of instruments such as mass spectrometers and advances in the nano-satellite technology, associated with relatively low cost of nano-satellite manufacturing and operation, open an avenue for performing low altitude missions. The time dependent coefficients of a second order non-homogeneous ODE which describes the motion have a double periodic shape. Hence, they will be approximated using Jacobi elliptic functions. Through a change of variables the original ODE will be converted into Hill's ODE for stability analysis using Floquet theory. We are interested in how changes in the coefficients of the ODE affect the stability of the solution. The expected result will be an allowable range of parameters for which the motion is dynamically stable. A possible extension of the application is a computational tool for the rapid evaluation of the stability of entry or re-entry vehicles in rarefied flow regimes and of satellites flying in relatively low orbits.

Irregular sampling intervals and missing values in real-world time series data present challenges for conventional methods that assume consistent intervals and complete data. Neural Ordinary Differential Equations (Neural ODEs) offer an alternative approach, utilizing neural networks combined with ODE solvers to learn continuous latent representations through parameterized vector fields. Neural Stochastic Differential Equations (Neural SDEs) extend Neural ODEs by incorporating a diffusion term, although this addition is not trivial, particularly when addressing irregular intervals and missing values. Consequently, careful design of drift and diffusion functions is crucial for maintaining stability and enhancing performance, while incautious choices can result in adverse properties such as the absence of strong solutions, stochastic destabilization, or unstable Euler discretizations, significantly affecting Neural SDEs' performance. In this study, we propose three stable classes of Neural SDEs: Langevin-type SDE, Linear Noise SDE, and Geometric SDE. Then, we rigorously demonstrate their robustness in maintaining excellent performance under distribution shift, while effectively preventing overfitting. To assess the effectiveness of our approach, we conduct extensive experiments on four benchmark datasets for interpolation, forecasting, and classification tasks, and analyze the robustness of our methods with 30 public datasets under different missing rates. Our results demonstrate the efficacy of the proposed method in handling real-world irregular time series data.

Diffusion models have exhibited excellent performance in various domains. The probability flow ordinary differential equation (ODE) of diffusion models (i.e., diffusion ODEs) is a particular case of continuous normalizing flows (CNFs), which enables deterministic inference and exact likelihood evaluation. However, the likelihood estimation results by diffusion ODEs are still far from those of the state-of-the-art likelihood-based generative models. In this work, we propose several improved techniques for maximum likelihood estimation for diffusion ODEs, including both training and evaluation perspectives. For training, we propose velocity parameterization and explore variance reduction techniques for faster convergence. We also derive an error-bounded high-order flow matching objective for finetuning, which improves the ODE likelihood and smooths its trajectory. For evaluation, we propose a novel training-free truncated-normal dequantization to fill the training-evaluation gap commonly existing in diffusion ODEs. Building upon these techniques, we achieve state-of-the-art likelihood estimation results on image datasets (2.56 on CIFAR-10, 3.43/3.69 on ImageNet-32) without variational dequantization or data augmentation.

Automated planning using a symbolic planning language, such as PDDL, is a general approach to producing optimal plans to achieve a stated goal. However, creating suitable machine understandable descriptions of the planning domain, problem, and goal requires expertise in the planning language, limiting the utility of these tools for non-expert humans. Recent efforts have explored utilizing a symbolic planner in conjunction with a large language model to generate plans from natural language descriptions given by a non-expert human (LLM+PDDL). Our approach performs initial translation of goal specifications to a set of PDDL goal constraints using an LLM; such translations often result in imprecise symbolic specifications, which are difficult to validate directly. We account for this using an evolutionary approach to generate a population of symbolic goal specifications with slight differences from the initial translation, and utilize a trained LSTM-based validation model to assess whether each induced plan in the population adheres to the natural language specifications. We evaluate our approach on a collection of prototypical specifications in a notional naval disaster recovery task, and demonstrate that our evolutionary approach improve adherence of generated plans to natural language specifications when compared to plans generated using only LLM translations. The code for our method can be found at https://github.com/owenonline/PlanCritic.

Symbolic execution is a powerful technique for software testing, but suffers from limitations when encountering external functions, such as native methods or third-party libraries. Existing solutions often require additional context, expensive SMT solvers, or manual intervention to approximate these functions through symbolic stubs. In this work, we propose a novel approach to automatically generate symbolic stubs for external functions during symbolic execution that leverages Genetic Programming. When the symbolic executor encounters an external function, AutoStub generates training data by executing the function on randomly generated inputs and collecting the outputs. Genetic Programming then derives expressions that approximate the behavior of the function, serving as symbolic stubs. These automatically generated stubs allow the symbolic executor to continue the analysis without manual intervention, enabling the exploration of program paths that were previously intractable. We demonstrate that AutoStub can automatically approximate external functions with over 90% accuracy for 55% of the functions evaluated, and can infer language-specific behaviors that reveal edge cases crucial for software testing.

Symbolic Music Alignment is the process of matching performed MIDI notes to corresponding score notes. In this paper, we introduce a reinforcement learning (RL)-based online symbolic music alignment technique. The RL agent - an attention-based neural network - iteratively estimates the current score position from local score and performance contexts. For this symbolic alignment task, environment states can be sampled exhaustively and the reward is dense, rendering a formulation as a simplified offline RL problem straightforward. We evaluate the trained agent in three ways. First, in its capacity to identify correct score positions for sampled test contexts; second, as the core technique of a complete algorithm for symbolic online note-wise alignment; and finally, as a real-time symbolic score follower. We further investigate the pitch-based score and performance representations used as the agent's inputs. To this end, we develop a second model, a two-step Dynamic Time Warping (DTW)-based offline alignment algorithm leveraging the same input representation. The proposed model outperforms a state-of-the-art reference model of offline symbolic music alignment.

Equation discovery from data is a core challenge in machine learning for science, requiring the recovery of concise symbolic expressions that govern complex physical and geometric phenomena. Recent approaches with large language models (LLMs) show promise in symbolic regression, but their success often hinges on memorized formulas or overly simplified functional forms. Existing benchmarks exacerbate this limitation: they focus on scalar functions, ignore domain grounding, and rely on brittle string-matching based metrics that fail to capture scientific equivalence. We introduce SurfaceBench, first comprehensive benchmark for symbolic surface discovery. SurfaceBench comprises 183 tasks across 15 categories of symbolic complexity, spanning explicit, implicit, and parametric equation representation forms. Each task includes ground-truth equations, variable semantics, and synthetically sampled three dimensional data. Unlike prior SR datasets, our tasks reflect surface-level structure, resist LLM memorization through novel symbolic compositions, and are grounded in scientific domains such as fluid dynamics, robotics, electromagnetics, and geometry. To evaluate equation discovery quality, we pair symbolic checks with geometry-aware metrics such as Chamfer and Hausdorff distances, capturing both algebraic fidelity and spatial reconstruction accuracy. Our experiments reveal that state-of-the-art frameworks, while occasionally successful on specific families, struggle to generalize across representation types and surface complexities. SurfaceBench thus establishes a challenging and diagnostic testbed that bridges symbolic reasoning with geometric reconstruction, enabling principled benchmarking of progress in compositional generalization, data-driven scientific induction, and geometry-aware reasoning with LLMs. We release the code here: https://github.com/Sanchit-404/surfacebench

We present a novel method for symbolic regression (SR), the task of searching for compact programmatic hypotheses that best explain a dataset. The problem is commonly solved using genetic algorithms; we show that we can enhance such methods by inducing a library of abstract textual concepts. Our algorithm, called LaSR, uses zero-shot queries to a large language model (LLM) to discover and evolve concepts occurring in known high-performing hypotheses. We discover new hypotheses using a mix of standard evolutionary steps and LLM-guided steps (obtained through zero-shot LLM queries) conditioned on discovered concepts. Once discovered, hypotheses are used in a new round of concept abstraction and evolution. We validate LaSR on the Feynman equations, a popular SR benchmark, as well as a set of synthetic tasks. On these benchmarks, LaSR substantially outperforms a variety of state-of-the-art SR approaches based on deep learning and evolutionary algorithms. Moreover, we show that LaSR can be used to discover a novel and powerful scaling law for LLMs.

Residual neural networks are state-of-the-art deep learning models. Their continuous-depth analog, neural ordinary differential equations (ODEs), are also widely used. Despite their success, the link between the discrete and continuous models still lacks a solid mathematical foundation. In this article, we take a step in this direction by establishing an implicit regularization of deep residual networks towards neural ODEs, for nonlinear networks trained with gradient flow. We prove that if the network is initialized as a discretization of a neural ODE, then such a discretization holds throughout training. Our results are valid for a finite training time, and also as the training time tends to infinity provided that the network satisfies a Polyak-Lojasiewicz condition. Importantly, this condition holds for a family of residual networks where the residuals are two-layer perceptrons with an overparameterization in width that is only linear, and implies the convergence of gradient flow to a global minimum. Numerical experiments illustrate our results.

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent representations when we train a GNN in a supervised setting, then we apply symbolic regression to components of the learned model to extract explicit physical relations. We find the correct known equations, including force laws and Hamiltonians, can be extracted from the neural network. We then apply our method to a non-trivial cosmology example-a detailed dark matter simulation-and discover a new analytic formula which can predict the concentration of dark matter from the mass distribution of nearby cosmic structures. The symbolic expressions extracted from the GNN using our technique also generalized to out-of-distribution data better than the GNN itself. Our approach offers alternative directions for interpreting neural networks and discovering novel physical principles from the representations they learn.

Large language models (LLMs) hold broad knowledge in one set of weights, but lack interpretability and trustworthy reasoning, especially in high-stakes use cases. A neuro-symbolic model, with its interpretable architecture and System 2 reasoning capacity, is a promising alternative if built at the scale of LLMs; however, its symbolic backbone is usually constructed with human effort, so existing neuro-symbolic models are bottlenecked by the scope of the symbol component and usually domain-specific. A data-driven method could instead build a larger symbolic system by aligning and merging existing ones. We target its first, foundational step: matching units across these heterogeneous systems. Our method, SAE-IDF, encodes a symbol in its native context into a sparse code with a sparse autoencoder (SAE), re-weights each dimension by its rarity and matches across systems. On 12 tasks across 6 kinds of symbolic system, SAE-IDF outperforms the same LLM's dense baseline on all tasks with Gemma-2-9B and all but one with Llama-3.1-8B, by up to 45 points, consistently across SAE layers and configurations. SAE-IDF is also interpretable: every dimension of the sparse code has a human-readable meaning, so each match decomposes into named concepts (features). Our work paves the way to a universal symbolic backbone.

AI for Mathematics (AI4Math) has emerged as a distinct field that leverages machine learning to navigate mathematical landscapes historically intractable for early symbolic systems. While mid-20th-century symbolic approaches successfully automated formal logic, they faced severe scalability limitations due to the combinatorial explosion of the search space. The recent integration of data-driven approaches has revitalized this pursuit. In this review, we provide a systematic overview of AI4Math, highlighting its primary focus on developing AI models to support mathematical research. Crucially, we emphasize that this is not merely the application of AI to mathematical activities; it also encompasses the development of stronger AI systems where the rigorous nature of mathematics serves as a premier testbed for advancing general reasoning capabilities. We categorize existing research into two complementary directions: problem-specific modeling, involving the design of specialized architectures for distinct mathematical tasks, and general-purpose modeling, focusing on foundation models capable of broader reasoning, retrieval, and exploratory workflows. We conclude by discussing key challenges and prospects, advocating for AI systems that go beyond facilitating formal correctness to enabling the discovery of meaningful results and unified theories, recognizing that the true value of a proof lies in the insights and tools it offers to the broader mathematical landscape.

The integration of symbolic computing with neural networks has intrigued researchers since the first theorizations of Artificial intelligence (AI). The ability of Neuro-Symbolic (NeSy) methods to infer or exploit behavioral schema has been widely considered as one of the possible proxies for human-level intelligence. However, the limited semantic generalizability and the challenges in declining complex domains with pre-defined patterns and rules hinder their practical implementation in real-world scenarios. The unprecedented results achieved by connectionist systems since the last AI breakthrough in 2017 have raised questions about the competitiveness of NeSy solutions, with particular emphasis on the Natural Language Processing and Computer Vision fields. This survey examines task-specific advancements in the NeSy domain to explore how incorporating symbolic systems can enhance explainability and reasoning capabilities. Our findings are meant to serve as a resource for researchers exploring explainable NeSy methodologies for real-life tasks and applications. Reproducibility details and in-depth comments on each surveyed research work are made available at https://github.com/disi-unibo-nlp/task-oriented-neuro-symbolic.git.

We introduce SymbolicAI, a versatile and modular framework employing a logic-based approach to concept learning and flow management in generative processes. SymbolicAI enables the seamless integration of generative models with a diverse range of solvers by treating large language models (LLMs) as semantic parsers that execute tasks based on both natural and formal language instructions, thus bridging the gap between symbolic reasoning and generative AI. We leverage probabilistic programming principles to tackle complex tasks, and utilize differentiable and classical programming paradigms with their respective strengths. The framework introduces a set of polymorphic, compositional, and self-referential operations for data stream manipulation, aligning LLM outputs with user objectives. As a result, we can transition between the capabilities of various foundation models endowed with zero- and few-shot learning capabilities and specialized, fine-tuned models or solvers proficient in addressing specific problems. In turn, the framework facilitates the creation and evaluation of explainable computational graphs. We conclude by introducing a quality measure and its empirical score for evaluating these computational graphs, and propose a benchmark that compares various state-of-the-art LLMs across a set of complex workflows. We refer to the empirical score as the "Vector Embedding for Relational Trajectory Evaluation through Cross-similarity", or VERTEX score for short. The framework codebase and benchmark are linked below.

Methods based on ordinary differential equations (ODEs) are widely used to build generative models of time-series. In addition to high computational overhead due to explicitly computing hidden states recurrence, existing ODE-based models fall short in learning sequence data with sharp transitions - common in many real-world systems - due to numerical challenges during optimization. In this work, we propose LS4, a generative model for sequences with latent variables evolving according to a state space ODE to increase modeling capacity. Inspired by recent deep state space models (S4), we achieve speedups by leveraging a convolutional representation of LS4 which bypasses the explicit evaluation of hidden states. We show that LS4 significantly outperforms previous continuous-time generative models in terms of marginal distribution, classification, and prediction scores on real-world datasets in the Monash Forecasting Repository, and is capable of modeling highly stochastic data with sharp temporal transitions. LS4 sets state-of-the-art for continuous-time latent generative models, with significant improvement of mean squared error and tighter variational lower bounds on irregularly-sampled datasets, while also being x100 faster than other baselines on long sequences.

Neural-symbolic learning, an intersection of neural networks and symbolic reasoning, aims to blend neural networks' learning capabilities with symbolic AI's interpretability and reasoning. This paper introduces an approach designed to improve the performance of neural models in learning reasoning tasks. It achieves this by integrating Answer Set Programming (ASP) solvers and domain-specific expertise, which is an approach that diverges from traditional complex neural-symbolic models. In this paper, a shallow artificial neural network (ANN) is specifically trained to solve Sudoku puzzles with minimal training data. The model has a unique loss function that integrates losses calculated using the ASP solver outputs, effectively enhancing its training efficiency. Most notably, the model shows a significant improvement in solving Sudoku puzzles using only 12 puzzles for training and testing without hyperparameter tuning. This advancement indicates that the model's enhanced reasoning capabilities have practical applications, extending well beyond Sudoku puzzles to potentially include a variety of other domains. The code can be found on GitHub: https://github.com/Fadi2200/ASPEN.

Adaptive moment methods such as Adam use a diagonal, coordinate-wise preconditioner based on exponential moving averages of squared gradients. This diagonal scaling is coordinate-system dependent and can struggle with dense or rotated parameter couplings, including those in matrix factorization, tensor decomposition, and graph neural networks, because it treats each parameter independently. We introduce FlowAdam, a hybrid optimizer that augments Adam with continuous gradient-flow integration via an ordinary differential equation (ODE). When EMA-based statistics detect landscape difficulty, FlowAdam switches to clipped ODE integration. Our central contribution is Soft Momentum Injection, which blends ODE velocity with Adam's momentum during mode transitions. This prevents the training collapse observed with naive hybrid approaches. Across coupled optimization benchmarks, the ODE integration provides implicit regularization, reducing held-out error by 10-22% on low-rank matrix/tensor recovery and 6% on Jester (real-world collaborative filtering), also surpassing tuned Lion and AdaBelief, while matching Adam on well-conditioned workloads (CIFAR-10). MovieLens-100K confirms benefits arise specifically from coupled parameter interactions rather than bias estimation. Ablation studies show that soft injection is essential, as hard replacement reduces accuracy from 100% to 82.5%.

Standard continuous-depth models, such as Neural Ordinary Differential Equations (NODEs), offer significant advantages in modeling physical systems by learning continuous vector fields rather than discrete temporal steps. However, when applied to complex dynamical systems, standard NODEs frequently struggle with highly nonlinear dynamics. This paper investigates the Frequency-domain Neural ODE (FNODE), an architecture that projects continuous temporal dynamics into the frequency domain using the Fast Fourier Transform (FFT). By operating in the frequency domain, the model provides better generalization to the dynamical system. The architecture is empirically evaluated against discrete models, specifically Gated Recurrent Units (GRUs) and Long Short-Term Memory (LSTMs), and other continuous-depth variants, including Augmented Neural ODE (ANODE), across four distinct dynamical systems: the Lotka-Volterra model, the forced Duffing oscillator, the Van der Pol oscillator, and the Lorenz system. To rigorously assess generalization and robustness, curriculum and ensemble learning are used to evaluate the model's convergence by estimating confidence intervals across different ensemble models. The empirical results demonstrate that the FNODE architecture achieves better generalization while exhibiting remarkable convergence stability.

Scientific discovery via symbolic regression is often viewed as statistically and computationally intractable because the hypothesis space of expressions grows combinatorially with depth. This paper revisits the statistical side through the lens of PAC learning, focusing on compositional function trees built from a finite vocabulary of smooth operators (e.g., {+,times,sin,exp} and affine maps). We prove that the relevant generalization quantity, Rademacher complexity, hence the excess risk, does not necessarily blow up exponentially with the number of distinct symbolic structures, but is controlled by (i) the depth d and (ii) the Lipschitz constants of the base operators along the composed computation graph. Concretely, under mild Lipschitz conditions on operators and bounded affine leaves, a finite-union bound over a vocabulary of size K=|H_{base}| together with Maurer-type vector contraction yields R_n(H_{comp}^{d}) leq (Kb2L)^{d-1}R_n(H_{comp}^{1}) with arity bound b; corresponding high-probability risk bounds scale as O(L^{d}/n) when K,b=O(1) and R_n(H_{comp}^{1})=O(n^{-1/2}). We complement the theory with a modular codebase that trains differentiable operator trees (not MLPs) on synthetic "physics-like" targets of controlled depth and shows that the empirical generalization gap correlates positively with the predicted complexity term (L^{d})/n.

Harnessing the statistical power of neural networks to perform language understanding and symbolic reasoning is difficult, when it requires executing efficient discrete operations against a large knowledge-base. In this work, we introduce a Neural Symbolic Machine, which contains (a) a neural "programmer", i.e., a sequence-to-sequence model that maps language utterances to programs and utilizes a key-variable memory to handle compositionality (b) a symbolic "computer", i.e., a Lisp interpreter that performs program execution, and helps find good programs by pruning the search space. We apply REINFORCE to directly optimize the task reward of this structured prediction problem. To train with weak supervision and improve the stability of REINFORCE, we augment it with an iterative maximum-likelihood training process. NSM outperforms the state-of-the-art on the WebQuestionsSP dataset when trained from question-answer pairs only, without requiring any feature engineering or domain-specific knowledge.

The derivation of mathematical results in specialised fields using Large Language Models (LLMs) is an emerging research direction that can help identify models' limitations, and potentially support mathematical discovery. In this paper, we leverage a symbolic engine to generate derivations of equations at scale, and investigate the capabilities of LLMs when deriving goal equations from premises. Specifically, we employ in-context learning for GPT and fine-tune a range of T5 models to compare the robustness and generalisation of pre-training strategies to specialised models. Empirical results show that fine-tuned FLAN-T5-large (MathT5) outperforms GPT models on all static and out-of-distribution test sets in terms of absolute performance. However, an in-depth analysis reveals that the fine-tuned models are more sensitive to perturbations involving unseen symbols and (to a lesser extent) changes to equation structure. In addition, we analyse 1.7K equations and over 200 derivations to highlight common reasoning errors such as the inclusion of incorrect, irrelevant, and redundant equations, along with the tendency to skip derivation steps. Finally, we explore the suitability of existing metrics for evaluating mathematical derivations finding evidence that, while they capture general properties such as sensitivity to perturbations, they fail to highlight fine-grained reasoning errors and essential differences between models. Overall, this work demonstrates that training models on synthetic data can improve their mathematical capabilities beyond larger architectures.

We present AXIOM, a trust-first neuro-symbolic execution architecture for natural-language mathematical reasoning. In AXIOM, the language model functions strictly as a canonicalizer: it rewrites informal problem text into a narrow schema consumed by a deterministic Computer-Algebra-System (CAS) pipeline, which derives and verifies the answer or abstains as a first-class output. Routing follows a 1:1:1 alignment between problem-shape regex, schema-specific prompt, and closed-form CAS handler, with 3,100+ such routes shipped and zero LOST_CORRECT regressions across 250+ consecutive ship commits. We report empirical results on 4 MATH categories with a cumulative correctness of 94.36% (2,592/2,747) at 100.00% trust on parseable (zero confident-wrong answers across the full 2,747-record benchmark), all four domains above the per-domain 70/90/70 floor with per-domain trust at 100.0%, and median latency of 1 ms on rule-only handlers (88% of records on the lm-eval arithmetic 20,000-record benchmark). The architecture has served ~30,000 production queries through a public deployment. The contribution we emphasize is not a final accuracy figure but the forward dynamic the architecture establishes: every logged abstain in production is a candidate correct after one ship cycle, since new tasks compose without regressing the registry. The operational discipline behind this property -- math-template bucketing, LOST_CORRECT scan as regression oracle, parseable-first onboarding, and abstain as first-class output -- constitutes a transferable framework for trustworthy neuro-symbolic systems beyond mathematics.

Traditional Task and Motion Planning (TAMP) systems depend on physics models for motion planning and discrete symbolic models for task planning. Although physics model are often available, symbolic models (consisting of symbolic state interpretation and action models) must be meticulously handcrafted or learned from labeled data. This process is both resource-intensive and constrains the solution to the specific domain, limiting scalability and adaptability. On the other hand, Visual Language Models (VLMs) show desirable zero-shot visual understanding (due to their extensive training on heterogeneous data), but still achieve limited planning capabilities. Therefore, integrating VLMs with classical planning for long-horizon reasoning in TAMP problems offers high potential. Recent works in this direction still lack generality and depend on handcrafted, task-specific solutions, e.g. describing all possible objects in advance, or using symbolic action models. We propose a framework that generalizes well to unseen problem instances. The method requires only lifted predicates describing relations among objects and uses VLMs to ground them from images to obtain the symbolic state. Planning is performed with domain-independent heuristic search using goal-count and width-based heuristics, without need for action models. Symbolic search over VLM-grounded state-space outperforms direct VLM-based planning and performs on par with approaches that use a VLM-derived heuristic. This shows that domain-independent search can effectively solve problems across domains with large combinatorial state spaces. We extensively evaluate on extensively evaluate our method and achieve state-of-the-art results on the ProDG and ViPlan benchmarks.

Recent ODE/SDE-based generative models, such as diffusion models, rectified flows, and flow matching, define a generative process as a time reversal of a fixed forward process. Even though these models show impressive performance on large-scale datasets, numerical simulation requires multiple evaluations of a neural network, leading to a slow sampling speed. We attribute the reason to the high curvature of the learned generative trajectories, as it is directly related to the truncation error of a numerical solver. Based on the relationship between the forward process and the curvature, here we present an efficient method of training the forward process to minimize the curvature of generative trajectories without any ODE/SDE simulation. Experiments show that our method achieves a lower curvature than previous models and, therefore, decreased sampling costs while maintaining competitive performance. Code is available at https://github.com/sangyun884/fast-ode.

While recent AI-for-math has made strides in pure mathematics, areas of applied mathematics, particularly PDEs, remain underexplored despite their significant real-world applications. We present PDE-Controller, a framework that enables large language models (LLMs) to control systems governed by partial differential equations (PDEs). Our approach enables LLMs to transform informal natural language instructions into formal specifications, and then execute reasoning and planning steps to improve the utility of PDE control. We build a holistic solution comprising datasets (both human-written cases and 2 million synthetic samples), math-reasoning models, and novel evaluation metrics, all of which require significant effort. Our PDE-Controller significantly outperforms prompting the latest open-source and GPT models in reasoning, autoformalization, and program synthesis, achieving up to a 62% improvement in utility gain for PDE control. By bridging the gap between language generation and PDE systems, we demonstrate the potential of LLMs in addressing complex scientific and engineering challenges. We will release all data, model checkpoints, and code at https://pde-controller.github.io/.

Geometric Problem Solving (GPS) remains at the heart of enhancing mathematical reasoning in large language models because it requires the combination of diagrammatic understanding, symbolic manipulation and logical inference. In existing literature, researchers have chiefly focused on synchronising the diagram descriptions with text literals and solving the problem. In this vein, they have either taken a neural, symbolic or neuro-symbolic approach. But this solves only the first two of the requirements, namely diagrammatic understanding and symbolic manipulation, while leaving logical inference underdeveloped. The logical inference is often limited to one chain-of-thought (CoT). To address this weakness in hitherto existing models, this paper proposes MARS-GPS, that generates multiple parallel reasoning rollouts augmented with Python code execution for numerical verification, ranks them using token-level entropy as a confidence signal, and aggregates answers through a multi-stage voting and self-verification pipeline. Empirical results show that MARS-GPS with 8 parallel rollouts achieves 88.8% on Geometry3K, a nearly +11% improvement over the prior state-of-the-art, with accuracy scaling consistently as the number of rollouts increases from 1 to 16 (+6.0% on ablation subset). We provide our code and data in an anonymous repository: https://anonymous.4open.science/r/MARS-GPS-DE55.

Current advances in Artificial Intelligence (AI) and Machine Learning (ML) have achieved unprecedented impact across research communities and industry. Nevertheless, concerns about trust, safety, interpretability and accountability of AI were raised by influential thinkers. Many have identified the need for well-founded knowledge representation and reasoning to be integrated with deep learning and for sound explainability. Neural-symbolic computing has been an active area of research for many years seeking to bring together robust learning in neural networks with reasoning and explainability via symbolic representations for network models. In this paper, we relate recent and early research results in neurosymbolic AI with the objective of identifying the key ingredients of the next wave of AI systems. We focus on research that integrates in a principled way neural network-based learning with symbolic knowledge representation and logical reasoning. The insights provided by 20 years of neural-symbolic computing are shown to shed new light onto the increasingly prominent role of trust, safety, interpretability and accountability of AI. We also identify promising directions and challenges for the next decade of AI research from the perspective of neural-symbolic systems.

Recent Meta-learning for Black-Box Optimization (MetaBBO) methods harness neural networks to meta-learn configurations of traditional black-box optimizers. Despite their success, they are inevitably restricted by the limitations of predefined hand-crafted optimizers. In this paper, we present Symbol, a novel framework that promotes the automated discovery of black-box optimizers through symbolic equation learning. Specifically, we propose a Symbolic Equation Generator (SEG) that allows closed-form optimization rules to be dynamically generated for specific tasks and optimization steps. Within Symbol, we then develop three distinct strategies based on reinforcement learning, so as to meta-learn the SEG efficiently. Extensive experiments reveal that the optimizers generated by Symbol not only surpass the state-of-the-art BBO and MetaBBO baselines, but also exhibit exceptional zero-shot generalization abilities across entirely unseen tasks with different problem dimensions, population sizes, and optimization horizons. Furthermore, we conduct in-depth analyses of our Symbol framework and the optimization rules that it generates, underscoring its desirable flexibility and interpretability.

Modern artificial intelligence excels at statistical interpolation within seen manifolds but fundamentally fails at the exact reasoning required for theoretical physics and mathematics. We identify the "Float Wall" -- a catastrophic collapse of neural extrapolation at scales beyond 10^{16} -- caused by standard floating-point representation and linguistic tokenization (BPE). To resolve this, we introduce the Active Discoverer Framework, a digit-native neuro-symbolic architecture designed for invariant discovery. At its core is NumberNet, a Siamese Arithmetic Transformer that utilizes least-significant-bit (LSB) sequence encoding to achieve 0% precision loss and cosmic-scale extrapolation up to 10^{50}. To enforce physical grounding, we implement a Hamiltonian-based energy descent and Symmetry Grouping layer, ensuring the model respects Noether's theorem natively. The primary innovation is the Symbolic LaTeX Bottleneck: an active discovery loop where the model is forced to hypothesize unknown physical variables through an autoregressive LaTeX decoder. By reconciling numeric "hallucinations" with structurally valid mathematical expressions, the framework ensures that any discovered physics is parsimonious and human-interpretable. We evaluate this system against a 30-billion scale benchmark and the Universal Physics Pantheon, featuring 50 "Chaos Mode" systemic perturbations. Our results demonstrate that while traditional GBDT and LLM-based architectures collapse at cosmic scales, the Active Discoverer autonomously deduces universal constants such as the Gravitational Constant (G) with high fidelity. This framework establishes a path toward zero-hallucination artificial intelligence and truly autonomous scientific research agents.

Over the last decades, deep neural networks based-models became the dominant paradigm in machine learning. Further, the use of artificial neural networks in symbolic learning has been seen as increasingly relevant recently. To study the capabilities of neural networks in the symbolic AI domain, researchers have explored the ability of deep neural networks to learn mathematical constructions, such as addition and multiplication, logic inference, such as theorem provers, and even the execution of computer programs. The latter is known to be too complex a task for neural networks. Therefore, the results were not always successful, and often required the introduction of biased elements in the learning process, in addition to restricting the scope of possible programs to be executed. In this work, we will analyze the ability of neural networks to learn how to execute programs as a whole. To do so, we propose a different approach. Instead of using an imperative programming language, with complex structures, we use the Lambda Calculus (λ-Calculus), a simple, but Turing-Complete mathematical formalism, which serves as the basis for modern functional programming languages and is at the heart of computability theory. We will introduce the use of integrated neural learning and lambda calculi formalization. Finally, we explore execution of a program in λ-Calculus is based on reductions, we will show that it is enough to learn how to perform these reductions so that we can execute any program. Keywords: Machine Learning, Lambda Calculus, Neurosymbolic AI, Neural Networks, Transformer Model, Sequence-to-Sequence Models, Computational Models

We introduce rd-spiral, an open-source Python library for simulating 2D reaction-diffusion systems using pseudo-spectral methods. The framework combines FFT-based spatial discretization with adaptive Dormand-Prince time integration, achieving exponential convergence while maintaining pedagogical clarity. We analyze three dynamical regimes: stable spirals, spatiotemporal chaos, and pattern decay, revealing extreme non-Gaussian statistics (kurtosis >96) in stable states. Information-theoretic metrics show 10.7% reduction in activator-inhibitor coupling during turbulence versus 6.5% in stable regimes. The solver handles stiffness ratios >6:1 with features including automated equilibrium classification and checkpointing. Effect sizes (delta=0.37--0.78) distinguish regimes, with asymmetric field sensitivities to perturbations. By balancing computational rigor with educational transparency, rd-spiral bridges theoretical and practical nonlinear dynamics.

Progress in the task of symbolic music generation may be lagging behind other tasks like audio and text generation, in part because of the scarcity of symbolic training data. In this paper, we leverage the greater scale of audio music data by applying pre-trained MIR models (for transcription, beat tracking, structure analysis, etc.) to extract symbolic events and encode them into token sequences. To the best of our knowledge, this work is the first to demonstrate the feasibility of training symbolic generation models solely from auto-transcribed audio data. Furthermore, to enhance the controllability of the trained model, we introduce SymPAC (Symbolic Music Language Model with Prompting And Constrained Generation), which is distinguished by using (a) prompt bars in encoding and (b) a technique called Constrained Generation via Finite State Machines (FSMs) during inference time. We show the flexibility and controllability of this approach, which may be critical in making music AI useful to creators and users.

Existing methods fail to effectively steer Large Language Models (LLMs) between textual reasoning and code generation, leaving symbolic computing capabilities underutilized. We introduce CodeSteer, an effective method for guiding LLM code/text generation. We construct a comprehensive benchmark SymBench comprising 37 symbolic tasks with adjustable complexity and also synthesize datasets of 12k multi-round guidance/generation trajectories and 5.5k guidance comparison pairs. We fine-tune the Llama-3-8B model with a newly designed multi-round supervised fine-tuning (SFT) and direct preference optimization (DPO). The resulting model, CodeSteerLLM, augmented with the proposed symbolic and self-answer checkers, effectively guides the code/text generation of larger models. Augmenting GPT-4o with CodeSteer raises its average performance score from 53.3 to 86.4, even outperforming the existing best LLM OpenAI o1 (82.7), o1-preview (74.8), and DeepSeek R1 (76.8) across all 37 tasks (28 seen, 9 unseen). Trained for GPT-4o, CodeSteer demonstrates superior generalizability, providing an average 41.8 performance boost on Claude, Mistral, and GPT-3.5. CodeSteer-guided LLMs fully harness symbolic computing to maintain strong performance on highly complex tasks. Models, Datasets, and Codes are available at https://github.com/yongchao98/CodeSteer-v1.0.

Diffusion models have demonstrated remarkable generation quality but at the cost of numerous function evaluations. Recently, advanced ODE-based solvers have been developed to mitigate the substantial computational demands of reverse-diffusion solving under limited sampling steps. However, these solvers, heavily inspired by Adams-like multistep methods, rely solely on t-related Lagrange interpolation. We show that t-related Lagrange interpolation is suboptimal for diffusion model and reveal a compact search space comprised of time steps and solver coefficients. Building on our analysis, we propose a novel differentiable solver search algorithm to identify more optimal solver. Equipped with the searched solver, rectified-flow models, e.g., SiT-XL/2 and FlowDCN-XL/2, achieve FID scores of 2.40 and 2.35, respectively, on ImageNet256 with only 10 steps. Meanwhile, DDPM model, DiT-XL/2, reaches a FID score of 2.33 with only 10 steps. Notably, our searched solver outperforms traditional solvers by a significant margin. Moreover, our searched solver demonstrates generality across various model architectures, resolutions, and model sizes.

Continuous-time neural processes are performant sequential decision-makers that are built by differential equations (DE). However, their expressive power when they are deployed on computers is bottlenecked by numerical DE solvers. This limitation has significantly slowed down the scaling and understanding of numerous natural physical phenomena such as the dynamics of nervous systems. Ideally, we would circumvent this bottleneck by solving the given dynamical system in closed form. This is known to be intractable in general. Here, we show it is possible to closely approximate the interaction between neurons and synapses -- the building blocks of natural and artificial neural networks -- constructed by liquid time-constant networks (LTCs) efficiently in closed-form. To this end, we compute a tightly-bounded approximation of the solution of an integral appearing in LTCs' dynamics, that has had no known closed-form solution so far. This closed-form solution substantially impacts the design of continuous-time and continuous-depth neural models; for instance, since time appears explicitly in closed-form, the formulation relaxes the need for complex numerical solvers. Consequently, we obtain models that are between one and five orders of magnitude faster in training and inference compared to differential equation-based counterparts. More importantly, in contrast to ODE-based continuous networks, closed-form networks can scale remarkably well compared to other deep learning instances. Lastly, as these models are derived from liquid networks, they show remarkable performance in time series modeling, compared to advanced recurrent models.

Small Language Models (SLMs) are attracting attention due to the high computational demands and privacy concerns of Large Language Models (LLMs). Some studies fine-tune SLMs using Chains of Thought (CoT) data distilled from LLMs, aiming to enhance their reasoning ability. Furthermore, Some CoT distillation methods introduce external symbolic knowledge into the generation process to improve the limited knowledge memory, reasoning ability and out-of-domain (OOD) generalization of SLMs. However, the introduction of symbolic knowledge increases computational overhead and introduces potential noise. In this paper, we introduce SKIntern, an innovative approach that empowers SLMs to internalize symbolic knowledge and few-shot examples gradually through a progressive fine-tuning process, guided by a predefined linear decay schedule under curriculum learning. By efficiently internalizing knowledge, SKIntern reduces computational overhead and speeds up the reasoning process by focusing solely on the question during inference. It outperforms state-of-the-art baselines by over 5\%, while reducing inference costs (measured in FLOPs) by up to 4times across a wide range of SLMs in both in-domain (ID) and out-of-domain (OOD) tasks. Our code will be available at https://github.com/Xnhyacinth/SKIntern.

Existing math datasets evaluate the reasoning abilities of large language models (LLMs) by either using the final answer or the intermediate reasoning steps derived from static examples. However, the former approach fails to surface model's uses of shortcuts and wrong reasoning while the later poses challenges in accommodating alternative solutions. In this work, we seek to use symbolic programs as a means for automated evaluation if a model can consistently produce correct final answers across various inputs to the program. We begin by extracting programs for popular math datasets (GSM8K and MATH) using GPT4-o. For those executable programs verified using the original input-output pairs, they are found to encapsulate the proper reasoning required to solve the original text questions. We then prompt GPT4-o to generate new questions using alternative input-output pairs based the extracted program. We apply the resulting datasets to evaluate a collection of LLMs. In our experiments, we observe significant accuracy drops using our proposed evaluation compared with original static examples, suggesting the fragility of math reasoning in state-of-the-art LLMs.

We present a numerical framework to treat infinite time horizon spatially distributed optimal control problems via the associated canonical system derived by Pontryagin's Maximum Principle. The basic idea is to consider the canonical system in two steps. First we perform a bifurcation analysis of canonical steady states using the continuation and bifurcation package pde2path, yielding a number of so called flat and patterned canonical steady states. In a second step we link pde2path to the two point boundary value problem solver TOM to study time dependent canonical paths to steady states having the so called saddle point property. As an example we consider a shallow lake model with diffusion.