Daily Papers

Large Language Models (LLMs) are powerful reasoners in natural language, but their actions are typically confined to outputting vocabulary tokens. As a result, interactions with external environments -- such as symbolic operators or simulators -- must be expressed through text in predefined formats, parsed, and routed to external interfaces. This overloads the model's language with both reasoning and control duties, and requires a hand-crafted parser, external to the LLM. To address this, we decouple environment interactions from language by internalizing them in an Expanded Action space (ExpA), beyond the vocabulary. The model starts reasoning in the default language environment, but may trigger routing actions and switch to an external environment at any time. From there, the model can only invoke environment-specific actions, receive feedback from the environment, and potentially route back to language as a result. To promote effective exploration of the expanded action space and new environments, we introduce ExpA Reinforcement Learning (EARL) with counterfactual policy optimization. On tasks requiring multi-turn interactions and contingent planning, EARL outperforms strong baselines with vocabulary-constrained actions. It performs robustly across calculator-based multi-task learning and, in the partially observed sorting problem, achieves perfect Sort-4 accuracy while self-discovering an efficient algorithm competitive with classical designs.

Temporal Knowledge Graph Question Answering (TKGQA) aims to answer questions with temporal intent over Temporal Knowledge Graphs (TKGs). The core challenge of this task lies in understanding the complex semantic information regarding multiple types of time constraints (e.g., before, first) in questions. Existing end-to-end methods implicitly model the time constraints by learning time-aware embeddings of questions and candidate answers, which is far from understanding the question comprehensively. Motivated by semantic-parsing-based approaches that explicitly model constraints in questions by generating logical forms with symbolic operators, we design fundamental temporal operators for time constraints and introduce a novel self-improvement Programming method for TKGQA (Prog-TQA). Specifically, Prog-TQA leverages the in-context learning ability of Large Language Models (LLMs) to understand the combinatory time constraints in the questions and generate corresponding program drafts with a few examples given. Then, it aligns these drafts to TKGs with the linking module and subsequently executes them to generate the answers. To enhance the ability to understand questions, Prog-TQA is further equipped with a self-improvement strategy to effectively bootstrap LLMs using high-quality self-generated drafts. Extensive experiments demonstrate the superiority of the proposed Prog-TQA on MultiTQ and CronQuestions datasets, especially in the Hits@1 metric.

Generalizing from individual skill executions to solving long-horizon tasks remains a core challenge in building autonomous agents. A promising direction is learning high-level, symbolic abstractions of the low-level skills of the agents, enabling reasoning and planning independent of the low-level state space. Among possible high-level representations, object-centric skill abstraction with symbolic predicates has been proven to be efficient because of its compatibility with domain-independent planners. Recent advances in foundation models have made it possible to generate symbolic predicates that operate on raw sensory inputs, a process we call generative predicate invention, to facilitate downstream abstraction learning. However, it remains unclear which formal properties the learned representations must satisfy, and how they can be learned to guarantee these properties. In this paper, we address both questions by presenting a formal theory of generative predicate invention for skill abstraction, resulting in symbolic operators that can be used for provably sound and complete planning. Within this framework, we propose SkillWrapper, a method that leverages foundation models to actively collect robot data and learn human-interpretable, plannable representations of black-box skills, using only RGB image observations. Our extensive empirical evaluation in simulation and on real robots shows that SkillWrapper learns abstract representations that enable solving unseen, long-horizon tasks in the real world with black-box skills.

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.

Deep Learning (DL) is prevalently used in various industries to improve decision-making and automate processes, driven by the ever-evolving DL libraries and compilers. The correctness of DL systems is crucial for trust in DL applications. As such, the recent wave of research has been studying the automated synthesis of test-cases (i.e., DNN models and their inputs) for fuzzing DL systems. However, existing model generators only subsume a limited number of operators, lacking the ability to pervasively model operator constraints. To address this challenge, we propose NeuRI, a fully automated approach for generating valid and diverse DL models composed of hundreds of types of operators. NeuRI adopts a three-step process: (i) collecting valid and invalid API traces from various sources; (ii) applying inductive program synthesis over the traces to infer the constraints for constructing valid models; and (iii) using hybrid model generation which incorporates both symbolic and concrete operators. Our evaluation shows that NeuRI improves branch coverage of TensorFlow and PyTorch by 24% and 15% over the state-of-the-art model-level fuzzers. NeuRI finds 100 new bugs for PyTorch and TensorFlow in four months, with 81 already fixed or confirmed. Of these, 9 bugs are labelled as high priority or security vulnerability, constituting 10% of all high-priority bugs of the period. Open-source developers regard error-inducing tests reported by us as "high-quality" and "common in practice".

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.

Quantum computation is inherently hybrid, and fast classical manipulation of qubit operators is necessary to ensure scalability in quantum software. We introduce PauliEngine, a high-performance C++ framework that provides efficient primitives for Pauli string multiplication, commutators, symbolic phase tracking, and structural transformations. Built on a binary symplectic representation and optimized bit-wise operations, PauliEngine supports both numerical and symbolic coefficients and is accessible through a Python interface. Runtime benchmarks demonstrate substantial speedups over state-of-the-art implementations. PauliEngine provides a scalable backend for operator-based quantum software tools and simulations.

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.

We propose PROSE-FD, a zero-shot multimodal PDE foundational model for simultaneous prediction of heterogeneous two-dimensional physical systems related to distinct fluid dynamics settings. These systems include shallow water equations and the Navier-Stokes equations with incompressible and compressible flow, regular and complex geometries, and different buoyancy settings. This work presents a new transformer-based multi-operator learning approach that fuses symbolic information to perform operator-based data prediction, i.e. non-autoregressive. By incorporating multiple modalities in the inputs, the PDE foundation model builds in a pathway for including mathematical descriptions of the physical behavior. We pre-train our foundation model on 6 parametric families of equations collected from 13 datasets, including over 60K trajectories. Our model outperforms popular operator learning, computer vision, and multi-physics models, in benchmark forward prediction tasks. We test our architecture choices with ablation studies.

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 order to build artificial intelligence systems that can perceive and reason with human behavior in the real world, we must first design models that conduct complex spatio-temporal reasoning over motion sequences. Moving towards this goal, we propose the HumanMotionQA task to evaluate complex, multi-step reasoning abilities of models on long-form human motion sequences. We generate a dataset of question-answer pairs that require detecting motor cues in small portions of motion sequences, reasoning temporally about when events occur, and querying specific motion attributes. In addition, we propose NSPose, a neuro-symbolic method for this task that uses symbolic reasoning and a modular design to ground motion through learning motion concepts, attribute neural operators, and temporal relations. We demonstrate the suitability of NSPose for the HumanMotionQA task, outperforming all baseline methods.

Hybrid data combining both tabular and textual content (e.g., financial reports) are quite pervasive in the real world. However, Question Answering (QA) over such hybrid data is largely neglected in existing research. In this work, we extract samples from real financial reports to build a new large-scale QA dataset containing both Tabular And Textual data, named TAT-QA, where numerical reasoning is usually required to infer the answer, such as addition, subtraction, multiplication, division, counting, comparison/sorting, and the compositions. We further propose a novel QA model termed TAGOP, which is capable of reasoning over both tables and text. It adopts sequence tagging to extract relevant cells from the table along with relevant spans from the text to infer their semantics, and then applies symbolic reasoning over them with a set of aggregation operators to arrive at the final answer. TAGOPachieves 58.0% inF1, which is an 11.1% absolute increase over the previous best baseline model, according to our experiments on TAT-QA. But this result still lags far behind performance of expert human, i.e.90.8% in F1. It is demonstrated that our TAT-QA is very challenging and can serve as a benchmark for training and testing powerful QA models that address hybrid form data.

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.

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.

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

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.

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.

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

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.

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.

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.

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.

Hyperdimensional computing (HDC) is a biologically-inspired framework which represents symbols with high-dimensional vectors, and uses vector operations to manipulate them. The ensemble of a particular vector space and a prescribed set of vector operations (including one addition-like for "bundling" and one outer-product-like for "binding") form a *vector symbolic architecture* (VSA). While VSAs have been employed in numerous applications and have been studied empirically, many theoretical questions about VSAs remain open. We analyze the *representation capacities* of four common VSAs: MAP-I, MAP-B, and two VSAs based on sparse binary vectors. "Representation capacity' here refers to bounds on the dimensions of the VSA vectors required to perform certain symbolic tasks, such as testing for set membership i in S and estimating set intersection sizes |X cap Y| for two sets of symbols X and Y, to a given degree of accuracy. We also analyze the ability of a novel variant of a Hopfield network (a simple model of associative memory) to perform some of the same tasks that are typically asked of VSAs. In addition to providing new bounds on VSA capacities, our analyses establish and leverage connections between VSAs, "sketching" (dimensionality reduction) algorithms, and Bloom filters.

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.

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.

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

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.

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.

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.

How can we perform computations over natural language representations to solve tasks that require symbolic and numeric reasoning? We propose natural language embedded programs (NLEP) as a unifying framework for addressing math/symbolic reasoning, natural language understanding, and instruction following tasks. Our approach prompts a language model to generate full Python programs that define functions over data structures which contain natural language representations of structured knowledge. A Python interpreter then executes the generated code and prints the output. Despite using a task-general prompt, we find that this approach can improve upon strong baselines across a range of different tasks including math and symbolic reasoning, text classification, question answering, and instruction following. We further find the generated programs are often interpretable and enable post-hoc verification of the intermediate reasoning steps.

Loop invariants are fundamental to reasoning about programs with loops. They establish properties about a given loop's behavior. When they additionally are inductive, they become useful for the task of formal verification that seeks to establish strong mathematical guarantees about program's runtime behavior. The inductiveness ensures that the invariants can be checked locally without consulting the entire program, thus are indispensable artifacts in a formal proof of correctness. Finding inductive loop invariants is an undecidable problem, and despite a long history of research towards practical solutions, it remains far from a solved problem. This paper investigates the capabilities of the Large Language Models (LLMs) in offering a new solution towards this old, yet important problem. To that end, we first curate a dataset of verification problems on programs with loops. Next, we design a prompt for exploiting LLMs, obtaining inductive loop invariants, that are checked for correctness using sound symbolic tools. Finally, we explore the effectiveness of using an efficient combination of a symbolic tool and an LLM on our dataset and compare it against a purely symbolic baseline. Our results demonstrate that LLMs can help improve the state-of-the-art in automated program verification.

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.

The classical development of neural networks has primarily focused on learning mappings between finite dimensional Euclidean spaces or finite sets. We propose a generalization of neural networks to learn operators, termed neural operators, that map between infinite dimensional function spaces. We formulate the neural operator as a composition of linear integral operators and nonlinear activation functions. We prove a universal approximation theorem for our proposed neural operator, showing that it can approximate any given nonlinear continuous operator. The proposed neural operators are also discretization-invariant, i.e., they share the same model parameters among different discretization of the underlying function spaces. Furthermore, we introduce four classes of efficient parameterization, viz., graph neural operators, multi-pole graph neural operators, low-rank neural operators, and Fourier neural operators. An important application for neural operators is learning surrogate maps for the solution operators of partial differential equations (PDEs). We consider standard PDEs such as the Burgers, Darcy subsurface flow, and the Navier-Stokes equations, and show that the proposed neural operators have superior performance compared to existing machine learning based methodologies, while being several orders of magnitude faster than conventional PDE solvers.

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.

Despite the tremendous success, existing machine learning models still fall short of human-like systematic generalization -- learning compositional rules from limited data and applying them to unseen combinations in various domains. We propose Neural-Symbolic Recursive Machine (NSR) to tackle this deficiency. The core representation of NSR is a Grounded Symbol System (GSS) with combinatorial syntax and semantics, which entirely emerges from training data. Akin to the neuroscience studies suggesting separate brain systems for perceptual, syntactic, and semantic processing, NSR implements analogous separate modules of neural perception, syntactic parsing, and semantic reasoning, which are jointly learned by a deduction-abduction algorithm. We prove that NSR is expressive enough to model various sequence-to-sequence tasks. Superior systematic generalization is achieved via the inductive biases of equivariance and recursiveness embedded in NSR. In experiments, NSR achieves state-of-the-art performance in three benchmarks from different domains: SCAN for semantic parsing, PCFG for string manipulation, and HINT for arithmetic reasoning. Specifically, NSR achieves 100% generalization accuracy on SCAN and PCFG and outperforms state-of-the-art models on HINT by about 23%. Our NSR demonstrates stronger generalization than pure neural networks due to its symbolic representation and inductive biases. NSR also demonstrates better transferability than existing neural-symbolic approaches due to less domain-specific knowledge required.

Neural networks adapt very well to distributed and continuous representations, but struggle to generalize from small amounts of data. Symbolic systems commonly achieve data efficient generalization by exploiting modularity to benefit from local and discrete features of a representation. These features allow symbolic programs to be improved one module at a time and to experience combinatorial growth in the values they can successfully process. However, it is difficult to design a component that can be used to form symbolic abstractions and which is adequately overparametrized to learn arbitrary high-dimensional transformations. I present Graph-based Symbolically Synthesized Neural Networks (G-SSNNs), a class of neural modules that operate on representations modified with synthesized symbolic programs to include a fixed set of local and discrete features. I demonstrate that the choice of injected features within a G-SSNN module modulates the data efficiency and generalization of baseline neural models, creating predictable patterns of both heightened and curtailed generalization. By training G-SSNNs, we also derive information about desirable semantics of symbolic programs without manual engineering. This information is compact and amenable to abstraction, but can also be flexibly recontextualized for other high-dimensional settings. In future work, I will investigate data efficient generalization and the transferability of learned symbolic representations in more complex G-SSNN designs based on more complex classes of symbolic programs. Experimental code and data are available at https://github.com/shlomenu/symbolically_synthesized_networks .

In this paper, we investigate the behavior of gradient descent algorithms in physics-informed machine learning methods like PINNs, which minimize residuals connected to partial differential equations (PDEs). Our key result is that the difficulty in training these models is closely related to the conditioning of a specific differential operator. This operator, in turn, is associated to the Hermitian square of the differential operator of the underlying PDE. If this operator is ill-conditioned, it results in slow or infeasible training. Therefore, preconditioning this operator is crucial. We employ both rigorous mathematical analysis and empirical evaluations to investigate various strategies, explaining how they better condition this critical operator, and consequently improve training.

The semantic capabilities of large language models (LLMs) have the potential to enable rich analytics and reasoning over vast knowledge corpora. Unfortunately, existing systems either empirically optimize expensive LLM-powered operations with no performance guarantees, or serve a limited set of row-wise LLM operations, providing limited robustness, expressiveness and usability. We introduce semantic operators, the first formalism for declarative and general-purpose AI-based transformations based on natural language specifications (e.g., filtering, sorting, joining or aggregating records using natural language criteria). Each operator opens a rich space for execution plans, similar to relational operators. Our model specifies the expected behavior of each operator with a high-quality gold algorithm, and we develop an optimization framework that reduces cost, while providing accuracy guarantees with respect to a gold algorithm. Using this approach, we propose several novel optimizations to accelerate semantic filtering, joining, group-by and top-k operations by up to 1,000times. We implement semantic operators in the LOTUS system and demonstrate LOTUS' effectiveness on real, bulk-semantic processing applications, including fact-checking, biomedical multi-label classification, search, and topic analysis. We show that the semantic operator model is expressive, capturing state-of-the-art AI pipelines in a few operator calls, and making it easy to express new pipelines that match or exceed quality of recent LLM-based analytic systems by up to 170%, while offering accuracy guarantees. Overall, LOTUS programs match or exceed the accuracy of state-of-the-art AI pipelines for each task while running up to 3.6times faster than the highest-quality baselines. LOTUS is publicly available at https://github.com/lotus-data/lotus.

In this paper, we construct a mixture of neural operators (MoNOs) between function spaces whose complexity is distributed over a network of expert neural operators (NOs), with each NO satisfying parameter scaling restrictions. Our main result is a distributed universal approximation theorem guaranteeing that any Lipschitz non-linear operator between L^2([0,1]^d) spaces can be approximated uniformly over the Sobolev unit ball therein, to any given varepsilon>0 accuracy, by an MoNO while satisfying the constraint that: each expert NO has a depth, width, and rank of O(varepsilon^{-1}). Naturally, our result implies that the required number of experts must be large, however, each NO is guaranteed to be small enough to be loadable into the active memory of most computers for reasonable accuracies varepsilon. During our analysis, we also obtain new quantitative expression rates for classical NOs approximating uniformly continuous non-linear operators uniformly on compact subsets of L^2([0,1]^d).

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.

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.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

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".

Automata learning is a popular technique used to automatically construct an automaton model from queries. Much research went into devising ad hoc adaptations of algorithms for different types of automata. The CALF project seeks to unify these using category theory in order to ease correctness proofs and guide the design of new algorithms. In this paper, we extend CALF to cover learning of algebraic structures that may not have a coalgebraic presentation. Furthermore, we provide a detailed algorithmic account of an abstract version of the popular L* algorithm, which was missing from CALF. We instantiate the abstract theory to a large class of Set functors, by which we recover for the first time practical tree automata learning algorithms from an abstract framework and at the same time obtain new algorithms to learn algebras of quotiented polynomial functors.

Assessing the capabilities of large language models (LLMs) is often challenging, in part, because it is hard to find tasks to which they have not been exposed during training. We take one step to address this challenge by turning to a new task: focusing on symbolic graphics programs, which are a popular representation for graphics content that procedurally generates visual data. LLMs have shown exciting promise towards program synthesis, but do they understand symbolic graphics programs? Unlike conventional programs, symbolic graphics programs can be translated to graphics content. Here, we characterize an LLM's understanding of symbolic programs in terms of their ability to answer questions related to the graphics content. This task is challenging as the questions are difficult to answer from the symbolic programs alone -- yet, they would be easy to answer from the corresponding graphics content as we verify through a human experiment. To understand symbolic programs, LLMs may need to possess the ability to imagine how the corresponding graphics content would look without directly accessing the rendered visual content. We use this task to evaluate LLMs by creating a large benchmark for the semantic understanding of symbolic graphics programs. This benchmark is built via program-graphics correspondence, hence requiring minimal human efforts. We evaluate current LLMs on our benchmark to elucidate a preliminary assessment of their ability to reason about visual scenes from programs. We find that this task distinguishes existing LLMs and models considered good at reasoning perform better. Lastly, we introduce Symbolic Instruction Tuning (SIT) to improve this ability. Specifically, we query GPT4-o with questions and images generated by symbolic programs. Such data are then used to finetune an LLM. We also find that SIT data can improve the general instruction following ability of LLMs.

Representation learning has become an invaluable approach for learning from symbolic data such as text and graphs. However, while complex symbolic datasets often exhibit a latent hierarchical structure, state-of-the-art methods typically learn embeddings in Euclidean vector spaces, which do not account for this property. For this purpose, we introduce a new approach for learning hierarchical representations of symbolic data by embedding them into hyperbolic space -- or more precisely into an n-dimensional Poincar\'e ball. Due to the underlying hyperbolic geometry, this allows us to learn parsimonious representations of symbolic data by simultaneously capturing hierarchy and similarity. We introduce an efficient algorithm to learn the embeddings based on Riemannian optimization and show experimentally that Poincar\'e embeddings outperform Euclidean embeddings significantly on data with latent hierarchies, both in terms of representation capacity and in terms of generalization ability.

In the context of structure-to-structure transformation tasks, learning sequences of discrete symbolic operations poses significant challenges due to their non-differentiability. To facilitate the learning of these symbolic sequences, we introduce a differentiable tree interpreter that compiles high-level symbolic tree operations into subsymbolic matrix operations on tensors. We present a novel Differentiable Tree Machine (DTM) architecture that integrates our interpreter with an external memory and an agent that learns to sequentially select tree operations to execute the target transformation in an end-to-end manner. With respect to out-of-distribution compositional generalization on synthetic semantic parsing and language generation tasks, DTM achieves 100% while existing baselines such as Transformer, Tree Transformer, LSTM, and Tree2Tree LSTM achieve less than 30%. DTM remains highly interpretable in addition to its perfect performance.

Symbolic anchoring is a crucial problem in the field of robotics, as it enables robots to obtain symbolic knowledge from the perceptual information acquired through their sensors. In cognitive-based robots, this process of processing sub-symbolic data from real-world sensors to obtain symbolic knowledge is still an open problem. To address this issue, this paper presents SAILOR, a framework for providing symbolic anchoring in the ROS 2 ecosystem. SAILOR aims to maintain the link between symbolic data and perceptual data in real robots over time, increasing the intelligent behavior of robots. It provides a semantic world modeling approach using two deep learning-based sub-symbolic robotic skills: object recognition and matching function. The object recognition skill allows the robot to recognize and identify objects in its environment, while the matching function enables the robot to decide if new perceptual data corresponds to existing symbolic data. This paper provides a description of the proposed method and the development of the framework, as well as its integration in MERLIN2 (a hybrid cognitive architecture fully functional in robots running ROS 2).

We develop a theory of pseudo-differential operators associated with the gyrator transform on modulation spaces. The gyrator transform is a two-dimensional linear canonical transform which can be viewed as a rotation in the time-frequency plane and is closely related to the fractional Fourier transform. Motivated by the global structure of the gyrator kernel, we work with Shubin global symbol classes on R^4. We first recall basic properties of modulation spaces and establish continuity and invertibility of the gyrator transform on these spaces, using its representation as a metaplectic operator. Then we introduce pseudo-differential operators defined via the gyrator transform and a Shubin symbol, and we prove boundedness results on modulation spaces and on gyrator-based modulation-Sobolev spaces. Our work extends and generalises earlier results of Mahato, Arya and Prasad on Schwartz and Sobolev spaces MahatoGyrator to the more flexible framework of modulation spaces.

Expert problem-solving is driven by powerful languages for thinking about problems and their solutions. Acquiring expertise means learning these languages -- systems of concepts, alongside the skills to use them. We present DreamCoder, a system that learns to solve problems by writing programs. It builds expertise by creating programming languages for expressing domain concepts, together with neural networks to guide the search for programs within these languages. A ``wake-sleep'' learning algorithm alternately extends the language with new symbolic abstractions and trains the neural network on imagined and replayed problems. DreamCoder solves both classic inductive programming tasks and creative tasks such as drawing pictures and building scenes. It rediscovers the basics of modern functional programming, vector algebra and classical physics, including Newton's and Coulomb's laws. Concepts are built compositionally from those learned earlier, yielding multi-layered symbolic representations that are interpretable and transferrable to new tasks, while still growing scalably and flexibly with experience.

A large class of inverse problems for PDEs are only well-defined as mappings from operators to functions. Existing operator learning frameworks map functions to functions and need to be modified to learn inverse maps from data. We propose a novel architecture termed Neural Inverse Operators (NIOs) to solve these PDE inverse problems. Motivated by the underlying mathematical structure, NIO is based on a suitable composition of DeepONets and FNOs to approximate mappings from operators to functions. A variety of experiments are presented to demonstrate that NIOs significantly outperform baselines and solve PDE inverse problems robustly, accurately and are several orders of magnitude faster than existing direct and PDE-constrained optimization methods.

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.

We investigate causal computations taking sequences of inputs to sequences of outputs where the nth output depends on the first n inputs only. We model these in category theory via a construction taking a Cartesian category C to another category St(C) with a novel trace-like operation called "delayed trace", which misses yanking and dinaturality axioms of the usual trace. The delayed trace operation provides a feedback mechanism in St(C) with an implicit guardedness guarantee. When C is equipped with a Cartesian differential operator, we construct a differential operator for St(C) using an abstract version of backpropagation through time, a technique from machine learning based on unrolling of functions. This obtains a swath of properties for backpropagation through time, including a chain rule and Schwartz theorem. Our differential operator is also able to compute the derivative of a stateful network without requiring the network to be unrolled.

While it is widely known that neural networks are universal approximators of continuous functions, a less known and perhaps more powerful result is that a neural network with a single hidden layer can approximate accurately any nonlinear continuous operator. This universal approximation theorem is suggestive of the potential application of neural networks in learning nonlinear operators from data. However, the theorem guarantees only a small approximation error for a sufficient large network, and does not consider the important optimization and generalization errors. To realize this theorem in practice, we propose deep operator networks (DeepONets) to learn operators accurately and efficiently from a relatively small dataset. A DeepONet consists of two sub-networks, one for encoding the input function at a fixed number of sensors x_i, i=1,dots,m (branch net), and another for encoding the locations for the output functions (trunk net). We perform systematic simulations for identifying two types of operators, i.e., dynamic systems and partial differential equations, and demonstrate that DeepONet significantly reduces the generalization error compared to the fully-connected networks. We also derive theoretically the dependence of the approximation error in terms of the number of sensors (where the input function is defined) as well as the input function type, and we verify the theorem with computational results. More importantly, we observe high-order error convergence in our computational tests, namely polynomial rates (from half order to fourth order) and even exponential convergence with respect to the training dataset size.

Large Language Models (LLMs) have greatly propelled the progress in natural language(NL)-centric tasks based on NL interface. However, the NL form is not enough for world knowledge. Current works focus on this question by injecting specific symbolic knowledge into LLM, which ignore two critical challenges: the interrelations between various symbols and the balance between symbolic-centric and NL-centric capabilities. In this work, we tackle these challenges from both a data and framework perspective and introduce Symbol-LLM series models. First, we collect 34 symbolic tasks, covering ~20 different forms, which are unified to capture symbol interrelations. Then, a two-stage tuning framework succeeds in injecting symbolic knowledge without loss of the generality ability. Extensive experiments on both symbol- and NL-centric tasks demonstrate the balanced and superior performances of Symbol-LLM series models.

Fine-tuning language models on tasks with instructions has demonstrated potential in facilitating zero-shot generalization to unseen tasks. In this paper, we introduce a straightforward yet effective method for enhancing instruction tuning by employing symbolic tasks. Compared to crowdsourced human tasks or model-generated tasks, symbolic tasks present a unique advantage as they can be easily generated in vast quantities, theoretically providing an infinite supply of high-quality training instances. To explore the potential of symbolic tasks, we carry out an extensive case study on the representative symbolic task of SQL execution. Empirical results on various benchmarks validate that the integration of SQL execution leads to significant improvements in zero-shot scenarios, particularly in table reasoning. Notably, our 3B model surpasses both the 175B GPT-3 and ChatGPT in zero-shot table reasoning across four benchmarks. Furthermore, experimental results on BBH (27 tasks) and MMLU (57 tasks) reveal that language models can be enhanced through symbolic tasks without compromising their generality. We hope that our paper serves as a catalyst, inspiring increased efforts to incorporate symbolic tasks in instruction tuning.

Progress in AI is hindered by the lack of a programming language with all the requisite features. Libraries like PyTorch and TensorFlow provide automatic differentiation and efficient GPU implementation, but are additions to Python, which was never intended for AI. Their lack of support for automated reasoning and knowledge acquisition has led to a long and costly series of hacky attempts to tack them on. On the other hand, AI languages like LISP an Prolog lack scalability and support for learning. This paper proposes tensor logic, a language that solves these problems by unifying neural and symbolic AI at a fundamental level. The sole construct in tensor logic is the tensor equation, based on the observation that logical rules and Einstein summation are essentially the same operation, and all else can be reduced to them. I show how to elegantly implement key forms of neural, symbolic and statistical AI in tensor logic, including transformers, formal reasoning, kernel machines and graphical models. Most importantly, tensor logic makes new directions possible, such as sound reasoning in embedding space. This combines the scalability and learnability of neural networks with the reliability and transparency of symbolic reasoning, and is potentially a basis for the wider adoption of AI.

We propose utilizing background operators for mathematical reasoning in large language models (LLMs). To achieve this, we define a set of fundamental mathematical predicates as the basic building blocks. For each mathematical problem, we develop a Prolog solution that includes problem-specific predicates and intermediate predicates derived from these background operators, ensuring that each solution adheres to the defined operator set. We introduce the MATH-Prolog corpus, which is derived from the counting and probability categories of the MATH corpus. For efficient data augmentation, we apply K-fold cross-validated self-training. This method incrementally generates new Prolog solutions for each fold, incorporating those verified as correct into the training set throughout the model training process. Our experimental results demonstrate that 5-fold crossvalidated self-training effectively identifies new, accurate Prolog solutions, achieving an accuracy of 84.6% on the cross-validated set, and 84.8% on the test set during fine-tuning the Meta-Llama-3.1-8B-Instruct model. This approach successfully uncovers new solutions with fully computable inference steps for previously unseen problems. Additionally, incorporating the background mathematical predicates into the prompt enhances solution coverage.

Many recent studies have found evidence for emergent reasoning capabilities in large language models (LLMs), but debate persists concerning the robustness of these capabilities, and the extent to which they depend on structured reasoning mechanisms. To shed light on these issues, we study the internal mechanisms that support abstract reasoning in LLMs. We identify an emergent symbolic architecture that implements abstract reasoning via a series of three computations. In early layers, symbol abstraction heads convert input tokens to abstract variables based on the relations between those tokens. In intermediate layers, symbolic induction heads perform sequence induction over these abstract variables. Finally, in later layers, retrieval heads predict the next token by retrieving the value associated with the predicted abstract variable. These results point toward a resolution of the longstanding debate between symbolic and neural network approaches, suggesting that emergent reasoning in neural networks depends on the emergence of symbolic mechanisms.

Vector Symbolic Architectures (VSAs) have emerged as a novel framework for enabling interpretable machine learning algorithms equipped with the ability to reason and explain their decision processes. The basic idea is to represent discrete information through high dimensional random vectors. Complex data structures can be built up with operations over vectors such as the "binding" operation involving element-wise vector multiplication, which associates data together. The reverse task of decomposing the associated elements is a combinatorially hard task, with an exponentially large search space. The main algorithm for performing this search is the resonator network, inspired by Hopfield network-based memory search operations. In this work, we introduce a new variant of the resonator network, based on self-attention based update rules in the iterative search problem. This update rule, based on the Hopfield network with log-sum-exp energy function and norm-bounded states, is shown to substantially improve the performance and rate of convergence. As a result, our algorithm enables a larger capacity for associative memory, enabling applications in many tasks like perception based pattern recognition, scene decomposition, and object reasoning. We substantiate our algorithm with a thorough evaluation and comparisons to baselines.

The latest Deep Learning (DL) models for detection and classification have achieved an unprecedented performance over classical machine learning algorithms. However, DL models are black-box methods hard to debug, interpret, and certify. DL alone cannot provide explanations that can be validated by a non technical audience. In contrast, symbolic AI systems that convert concepts into rules or symbols -- such as knowledge graphs -- are easier to explain. However, they present lower generalisation and scaling capabilities. A very important challenge is to fuse DL representations with expert knowledge. One way to address this challenge, as well as the performance-explainability trade-off is by leveraging the best of both streams without obviating domain expert knowledge. We tackle such problem by considering the symbolic knowledge is expressed in form of a domain expert knowledge graph. We present the eXplainable Neural-symbolic learning (X-NeSyL) methodology, designed to learn both symbolic and deep representations, together with an explainability metric to assess the level of alignment of machine and human expert explanations. The ultimate objective is to fuse DL representations with expert domain knowledge during the learning process to serve as a sound basis for explainability. X-NeSyL methodology involves the concrete use of two notions of explanation at inference and training time respectively: 1) EXPLANet: Expert-aligned eXplainable Part-based cLAssifier NETwork Architecture, a compositional CNN that makes use of symbolic representations, and 2) SHAP-Backprop, an explainable AI-informed training procedure that guides the DL process to align with such symbolic representations in form of knowledge graphs. We showcase X-NeSyL methodology using MonuMAI dataset for monument facade image classification, and demonstrate that our approach improves explainability and performance.

Modern neural networks rely on generic activation functions (ReLU, GELU, SiLU) that ignore the mathematical structure inherent in scientific data. We propose Neuro-Symbolic Activation Discovery, a framework that uses Genetic Programming to extract interpretable mathematical formulas from data and inject them as custom activation functions. Our key contribution is the discovery of a Geometric Transfer phenomenon: activation functions learned from particle physics data successfully generalize to ecological classification, outperforming standard activations (ReLU, GELU, SiLU) in both accuracy and parameter efficiency. On the Forest Cover dataset, our Hybrid Transfer model achieves 82.4% accuracy with only 5,825 parameters, compared to 83.4% accuracy requiring 31,801 parameters for a conventional heavy network -- a 5.5x parameter reduction with only 1% accuracy loss. We introduce a Parameter Efficiency Score (E_{param} = AUC / log_{10}(Params)) and demonstrate that lightweight hybrid architectures consistently achieve 18-21% higher efficiency than over-parameterized baselines. Crucially, we establish boundary conditions: while Physics to Ecology transfer succeeds (both involve continuous Euclidean measurements), Physics to Text transfer fails (discrete word frequencies require different mathematical structures). Our work opens pathways toward domain-specific activation libraries for efficient scientific machine learning.

Neuro-symbolic learning was proposed to address challenges with training neural networks for complex reasoning tasks with the added benefits of interpretability, reliability, and efficiency. Neuro-symbolic learning methods traditionally train neural models in conjunction with symbolic programs, but they face significant challenges that limit them to simplistic problems. On the other hand, purely-neural foundation models now reach state-of-the-art performance through prompting rather than training, but they are often unreliable and lack interpretability. Supplementing foundation models with symbolic programs, which we call neuro-symbolic prompting, provides a way to use these models for complex reasoning tasks. Doing so raises the question: What role does specialized model training as part of neuro-symbolic learning have in the age of foundation models? To explore this question, we highlight three pitfalls of traditional neuro-symbolic learning with respect to the compute, data, and programs leading to generalization problems. This position paper argues that foundation models enable generalizable neuro-symbolic solutions, offering a path towards achieving the original goals of neuro-symbolic learning without the downsides of training from scratch.

Mathematical symbols and descriptions appear in various forms across document section boundaries without explicit markup. In this paper, we present a new large-scale dataset that emphasizes extracting symbols and descriptions in scientific documents. Symlink annotates scientific papers of 5 different domains (i.e., computer science, biology, physics, mathematics, and economics). Our experiments on Symlink demonstrate the challenges of the symbol-description linking task for existing models and call for further research effort in this area. We will publicly release Symlink to facilitate future research.

Maintaining legacy software requires many software and systems engineering hours. Assembly code programs, which demand low-level control over the computer machine state and have no variable names, are particularly difficult for humans to analyze. Existing conventional program translators guarantee correctness, but are hand-engineered for the source and target programming languages in question. Learned transpilation, i.e. automatic translation of code, offers an alternative to manual re-writing and engineering efforts. Automated symbolic program translation approaches guarantee correctness but struggle to scale to longer programs due to the exponentially large search space. Their rigid rule-based systems also limit their expressivity, so they can only reason about a reduced space of programs. Probabilistic neural language models (LMs) produce plausible outputs for every input, but do so at the cost of guaranteed correctness. In this work, we leverage the strengths of LMs and symbolic solvers in a neurosymbolic approach to learned transpilation for assembly code. Assembly code is an appropriate setting for a neurosymbolic approach, since assembly code can be divided into shorter non-branching basic blocks amenable to the use of symbolic methods. Guess & Sketch extracts alignment and confidence information from features of the LM then passes it to a symbolic solver to resolve semantic equivalence of the transpilation input and output. We test Guess & Sketch on three different test sets of assembly transpilation tasks, varying in difficulty, and show that it successfully transpiles 57.6% more examples than GPT-4 and 39.6% more examples than an engineered transpiler. We also share a training and evaluation dataset for this task.

This thesis introduces quantum natural language processing (QNLP) models based on a simple yet powerful analogy between computational linguistics and quantum mechanics: grammar as entanglement. The grammatical structure of text and sentences connects the meaning of words in the same way that entanglement structure connects the states of quantum systems. Category theory allows to make this language-to-qubit analogy formal: it is a monoidal functor from grammar to vector spaces. We turn this abstract analogy into a concrete algorithm that translates the grammatical structure onto the architecture of parameterised quantum circuits. We then use a hybrid classical-quantum algorithm to train the model so that evaluating the circuits computes the meaning of sentences in data-driven tasks. The implementation of QNLP models motivated the development of DisCoPy (Distributional Compositional Python), the toolkit for applied category theory of which the first chapter gives a comprehensive overview. String diagrams are the core data structure of DisCoPy, they allow to reason about computation at a high level of abstraction. We show how they can encode both grammatical structures and quantum circuits, but also logical formulae, neural networks or arbitrary Python code. Monoidal functors allow to translate these abstract diagrams into concrete computation, interfacing with optimised task-specific libraries. The second chapter uses DisCopy to implement QNLP models as parameterised functors from grammar to quantum circuits. It gives a first proof-of-concept for the more general concept of functorial learning: generalising machine learning from functions to functors by learning from diagram-like data. In order to learn optimal functor parameters via gradient descent, we introduce the notion of diagrammatic differentiation: a graphical calculus for computing the gradients of parameterised diagrams.

A sequence of operators T_n from a Hilbert space {mathfrak H} to Hilbert spaces {mathfrak K}_n which is nondecreasing in the sense of contractive domination is shown to have a limit which is still a linear operator T from {mathfrak H} to a Hilbert space {mathfrak K}. Moreover, the closability or closedness of T_n is preserved in the limit. The closures converge likewise and the connection between the limits is investigated. There is no similar way of dealing directly with linear relations. However, the sequence of closures is still nondecreasing and then the convergence is governed by the monotonicity principle. There are some related results for nonincreasing sequences.

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.

Convolution is a broadly useful operation with applications including signal processing, machine learning, probability, optics, polynomial multiplication, and efficient parsing. Usually, however, this operation is understood and implemented in more specialized forms, hiding commonalities and limiting usefulness. This paper formulates convolution in the common algebraic framework of semirings and semimodules and populates that framework with various representation types. One of those types is the grand abstract template and itself generalizes to the free semimodule monad. Other representations serve varied uses and performance trade-offs, with implementations calculated from simple and regular specifications. Of particular interest is Brzozowski's method for regular expression matching. Uncovering the method's essence frees it from syntactic manipulations, while generalizing from boolean to weighted membership (such as multisets and probability distributions) and from sets to n-ary relations. The classic trie data structure then provides an elegant and efficient alternative to syntax. Pleasantly, polynomial arithmetic requires no additional implementation effort, works correctly with a variety of representations, and handles multivariate polynomials and power series with ease. Image convolution also falls out as a special case.

We introduce Geometric Neural Operators (GNPs) for accounting for geometric contributions in data-driven deep learning of operators. We show how GNPs can be used (i) to estimate geometric properties, such as the metric and curvatures, (ii) to approximate Partial Differential Equations (PDEs) on manifolds, (iii) learn solution maps for Laplace-Beltrami (LB) operators, and (iv) to solve Bayesian inverse problems for identifying manifold shapes. The methods allow for handling geometries of general shape including point-cloud representations. The developed GNPs provide approaches for incorporating the roles of geometry in data-driven learning of operators.

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.

In this work, we introduce Boolformer, the first Transformer architecture trained to perform end-to-end symbolic regression of Boolean functions. First, we show that it can predict compact formulas for complex functions which were not seen during training, when provided a clean truth table. Then, we demonstrate its ability to find approximate expressions when provided incomplete and noisy observations. We evaluate the Boolformer on a broad set of real-world binary classification datasets, demonstrating its potential as an interpretable alternative to classic machine learning methods. Finally, we apply it to the widespread task of modelling the dynamics of gene regulatory networks. Using a recent benchmark, we show that Boolformer is competitive with state-of-the art genetic algorithms with a speedup of several orders of magnitude. Our code and models are available publicly.

The advancement of machine learning and symbolic approaches have underscored their strengths and weaknesses in Natural Language Processing (NLP). While machine learning approaches are powerful in identifying patterns in data, they often fall short in learning commonsense and the factual knowledge required for the NLP tasks. Meanwhile, the symbolic methods excel in representing knowledge-rich data. However, they struggle to adapt dynamic data and generalize the knowledge. Bridging these two paradigms through hybrid approaches enables the alleviation of weaknesses in both while preserving their strengths. Recent studies extol the virtues of this union, showcasing promising results in a wide range of NLP tasks. In this paper, we present an overview of hybrid approaches used for NLP. Specifically, we delve into the state-of-the-art hybrid approaches used for a broad spectrum of NLP tasks requiring natural language understanding, generation, and reasoning. Furthermore, we discuss the existing resources available for hybrid approaches for NLP along with the challenges and future directions, offering a roadmap for future research avenues.

In 2011, einsum was introduced to NumPy as a practical and convenient notation for tensor expressions in machine learning, quantum circuit simulation, and other fields. It has since been implemented in additional Python frameworks such as PyTorch and TensorFlow, as well as in other programming languages such as Julia. Despite its practical success, the einsum notation still lacks a solid theoretical basis, and is not unified across the different frameworks, limiting opportunities for formal reasoning and systematic optimization. In this work, we discuss the terminology of tensor expressions and provide a formal definition of the einsum language. Based on this definition, we formalize and prove important equivalence rules for tensor expressions and highlight their relevance in practical applications.

Several adaptations of Transformers models have been developed in various domains since its breakthrough in Natural Language Processing (NLP). This trend has spread into the field of Music Information Retrieval (MIR), including studies processing music data. However, the practice of leveraging NLP tools for symbolic music data is not novel in MIR. Music has been frequently compared to language, as they share several similarities, including sequential representations of text and music. These analogies are also reflected through similar tasks in MIR and NLP. This survey reviews NLP methods applied to symbolic music generation and information retrieval studies following two axes. We first propose an overview of representations of symbolic music adapted from natural language sequential representations. Such representations are designed by considering the specificities of symbolic music. These representations are then processed by models. Such models, possibly originally developed for text and adapted for symbolic music, are trained on various tasks. We describe these models, in particular deep learning models, through different prisms, highlighting music-specialized mechanisms. We finally present a discussion surrounding the effective use of NLP tools for symbolic music data. This includes technical issues regarding NLP methods and fundamental differences between text and music, which may open several doors for further research into more effectively adapting NLP tools to symbolic MIR.

We extend JAX with the capability to automatically differentiate higher-order functions (functionals and operators). By representing functions as a generalization of arrays, we seamlessly use JAX's existing primitive system to implement higher-order functions. We present a set of primitive operators that serve as foundational building blocks for constructing several key types of functionals. For every introduced primitive operator, we derive and implement both linearization and transposition rules, aligning with JAX's internal protocols for forward and reverse mode automatic differentiation. This enhancement allows for functional differentiation in the same syntax traditionally use for functions. The resulting functional gradients are themselves functions ready to be invoked in python. We showcase this tool's efficacy and simplicity through applications where functional derivatives are indispensable. The source code of this work is released at https://github.com/sail-sg/autofd .

This report overviews our ongoing work in enriching chain-of-thoughts datasets requiring arithmetical reasoning with the integration of non-parametric components, such as a calculator. We conduct an analysis of prominent relevant datasets such as GSM8K, Ape210K, AQuA-RAT, and MathQA and propose a machine-processable HTML-like format specifically tailored for working with semi-structured chains. By converting the datasets into this unified format, we enable the effective integration of large language models and symbolic systems, empowering them to tackle arithmetical reasoning tasks more efficiently.

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.

Lara is a key-value algebra that aims at unifying linear and relational algebra with three types of operation abstraction. The study of Lara's expressive ability reports that it can represent relational algebra and most linear algebra operations. However, several essential computations, such as matrix inversion and determinant, cannot be expressed in Lara. Lara cannot represent global and iterative computation, either. This article proposes IterLara, extending Lara with iterative operators, to provide an algebraic model that unifies operations in general-purpose computing, like big data, AI, scientific computing, and database. We study the expressive ability of Lara and IterLara and prove that IterLara with aggregation functions can represent matrix inversion, determinant. Besides, we demonstrate that IterLara with no limitation of function utility is Turing complete. We also propose the Operation Count (OP) as a metric of computation amount for IterLara and ensure that the OP metric is in accordance with the existing computation metrics.

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 discuss how to define a kernel for Signal Temporal Logic (STL) formulae. Such a kernel allows us to embed the space of formulae into a Hilbert space, and opens up the use of kernel-based machine learning algorithms in the context of STL. We show an application of this idea to a regression problem in formula space for probabilistic models.

A major challenge of AI + Science lies in their inherent incompatibility: today's AI is primarily based on connectionism, while science depends on symbolism. To bridge the two worlds, we propose a framework to seamlessly synergize Kolmogorov-Arnold Networks (KANs) and science. The framework highlights KANs' usage for three aspects of scientific discovery: identifying relevant features, revealing modular structures, and discovering symbolic formulas. The synergy is bidirectional: science to KAN (incorporating scientific knowledge into KANs), and KAN to science (extracting scientific insights from KANs). We highlight major new functionalities in the pykan package: (1) MultKAN: KANs with multiplication nodes. (2) kanpiler: a KAN compiler that compiles symbolic formulas into KANs. (3) tree converter: convert KANs (or any neural networks) to tree graphs. Based on these tools, we demonstrate KANs' capability to discover various types of physical laws, including conserved quantities, Lagrangians, symmetries, and constitutive laws.

This paper investigates robot manipulation based on human instruction with ambiguous requests. The intent is to compensate for imperfect natural language via visual observations. Early symbolic methods, based on manually defined symbols, built modular framework consist of semantic parsing and task planning for producing sequences of actions from natural language requests. Modern connectionist methods employ deep neural networks to automatically learn visual and linguistic features and map to a sequence of low-level actions, in an endto-end fashion. These two approaches are blended to create a hybrid, modular framework: it formulates instruction following as symbolic goal learning via deep neural networks followed by task planning via symbolic planners. Connectionist and symbolic modules are bridged with Planning Domain Definition Language. The vision-and-language learning network predicts its goal representation, which is sent to a planner for producing a task-completing action sequence. For improving the flexibility of natural language, we further incorporate implicit human intents with explicit human instructions. To learn generic features for vision and language, we propose to separately pretrain vision and language encoders on scene graph parsing and semantic textual similarity tasks. Benchmarking evaluates the impacts of different components of, or options for, the vision-and-language learning model and shows the effectiveness of pretraining strategies. Manipulation experiments conducted in the simulator AI2THOR show the robustness of the framework to novel scenarios.

The coronavirus disease (COVID-19) has resulted in a pandemic crippling the a breadth of services critical to daily life. Segmentation of lung infections in computerized tomography (CT) slices could be be used to improve diagnosis and understanding of COVID-19 in patients. Deep learning systems lack interpretability because of their black box nature. Inspired by human communication of complex ideas through language, we propose a symbolic framework based on emergent languages for the segmentation of COVID-19 infections in CT scans of lungs. We model the cooperation between two artificial agents - a Sender and a Receiver. These agents synergistically cooperate using emergent symbolic language to solve the task of semantic segmentation. Our game theoretic approach is to model the cooperation between agents unlike Generative Adversarial Networks (GANs). The Sender retrieves information from one of the higher layers of the deep network and generates a symbolic sentence sampled from a categorical distribution of vocabularies. The Receiver ingests the stream of symbols and cogenerates the segmentation mask. A private emergent language is developed that forms the communication channel used to describe the task of segmentation of COVID infections. We augment existing state of the art semantic segmentation architectures with our symbolic generator to form symbolic segmentation models. Our symbolic segmentation framework achieves state of the art performance for segmentation of lung infections caused by COVID-19. Our results show direct interpretation of symbolic sentences to discriminate between normal and infected regions, infection morphology and image characteristics. We show state of the art results for segmentation of COVID-19 lung infections in CT.

We enhance the calculus of string diagrams for monoidal categories with hierarchical features in order to capture closed monoidal (and cartesian closed) structure. Using this new syntax we formulate an automatic differentiation algorithm for (applied) simply typed lambda calculus in the style of [Pearlmutter and Siskind 2008] and we prove for the first time its soundness. To give an efficient yet principled implementation of the AD algorithm we define a sound and complete representation of hierarchical string diagrams as a class of hierarchical hypergraphs we call hypernets.

Large language models (LLMs) have scaled up to unlock a wide range of complex reasoning tasks with the aid of various prompting methods. However, current prompting methods generate natural language intermediate steps to help reasoning, which can cause imperfect task reduction and confusion. To mitigate such limitations, we explore code prompting, a neural symbolic prompting method with both zero-shot and few-shot versions which triggers code as intermediate steps. We conduct experiments on 7 widely-used benchmarks involving symbolic reasoning and arithmetic reasoning. Code prompting generally outperforms chain-of-thought (CoT) prompting. To further understand the performance and limitations of code prompting, we perform extensive ablation studies and error analyses, and identify several exclusive advantages of using symbolic promptings compared to natural language. We also consider the ensemble of code prompting and CoT prompting to combine the strengths of both. Finally, we show through experiments how code annotations and their locations affect code prompting.

The reverse derivative is a fundamental operation in machine learning and automatic differentiation. This paper gives a direct axiomatization of a category with a reverse derivative operation, in a similar style to that given by Cartesian differential categories for a forward derivative. Intriguingly, a category with a reverse derivative also has a forward derivative, but the converse is not true. In fact, we show explicitly what a forward derivative is missing: a reverse derivative is equivalent to a forward derivative with a dagger structure on its subcategory of linear maps. Furthermore, we show that these linear maps form an additively enriched category with dagger biproducts.

Optimizing Register Transfer Level (RTL) code is crucial for improving the power, performance, and area (PPA) of digital circuits in the early stages of synthesis. Manual rewriting, guided by synthesis feedback, can yield high-quality results but is time-consuming and error-prone. Most existing compiler-based approaches have difficulty handling complex design constraints. Large Language Model (LLM)-based methods have emerged as a promising alternative to address these challenges. However, LLM-based approaches often face difficulties in ensuring alignment between the generated code and the provided prompts. This paper presents SymRTLO, a novel neuron-symbolic RTL optimization framework that seamlessly integrates LLM-based code rewriting with symbolic reasoning techniques. Our method incorporates a retrieval-augmented generation (RAG) system of optimization rules and Abstract Syntax Tree (AST)-based templates, enabling LLM-based rewriting that maintains syntactic correctness while minimizing undesired circuit behaviors. A symbolic module is proposed for analyzing and optimizing finite state machine (FSM) logic, allowing fine-grained state merging and partial specification handling beyond the scope of pattern-based compilers. Furthermore, a fast verification pipeline, combining formal equivalence checks with test-driven validation, further reduces the complexity of verification. Experiments on the RTL-Rewriter benchmark with Synopsys Design Compiler and Yosys show that SymRTLO improves power, performance, and area (PPA) by up to 43.9%, 62.5%, and 51.1%, respectively, compared to the state-of-the-art methods.

We present semantic correctness proofs of Automatic Differentiation (AD). We consider a forward-mode AD method on a higher order language with algebraic data types, and we characterise it as the unique structure preserving macro given a choice of derivatives for basic operations. We describe a rich semantics for differentiable programming, based on diffeological spaces. We show that it interprets our language, and we phrase what it means for the AD method to be correct with respect to this semantics. We show that our characterisation of AD gives rise to an elegant semantic proof of its correctness based on a gluing construction on diffeological spaces. We explain how this is, in essence, a logical relations argument. Finally, we sketch how the analysis extends to other AD methods by considering a continuation-based method.

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.

Understanding and creating mathematics using natural mathematical language - the mixture of symbolic and natural language used by humans - is a challenging and important problem for driving progress in machine learning. As a step in this direction, we develop NaturalProofs, a multi-domain corpus of mathematical statements and their proofs, written in natural mathematical language. NaturalProofs unifies broad coverage, deep coverage, and low-resource mathematical sources, allowing for evaluating both in-distribution and zero-shot generalization. Using NaturalProofs, we benchmark strong neural methods on mathematical reference retrieval and generation tasks which test a system's ability to determine key results that appear in a proof. Large-scale sequence models show promise compared to classical information retrieval methods, yet their performance and out-of-domain generalization leave substantial room for improvement. NaturalProofs opens many avenues for research on challenging mathematical tasks.

In this work, we propose marginalized operators, a new class of off-policy evaluation operators for reinforcement learning. Marginalized operators strictly generalize generic multi-step operators, such as Retrace, as special cases. Marginalized operators also suggest a form of sample-based estimates with potential variance reduction, compared to sample-based estimates of the original multi-step operators. We show that the estimates for marginalized operators can be computed in a scalable way, which also generalizes prior results on marginalized importance sampling as special cases. Finally, we empirically demonstrate that marginalized operators provide performance gains to off-policy evaluation and downstream policy optimization algorithms.

We propose a fully spectral, neuro\-symbolic reasoning architecture that leverages Graph Signal Processing (GSP) as the primary computational backbone for integrating symbolic logic and neural inference. Unlike conventional reasoning models that treat spectral graph methods as peripheral components, our approach formulates the entire reasoning pipeline in the graph spectral domain. Logical entities and relationships are encoded as graph signals, processed via learnable spectral filters that control multi-scale information propagation, and mapped into symbolic predicates for rule-based inference. We present a complete mathematical framework for spectral reasoning, including graph Fourier transforms, band-selective attention, and spectral rule grounding. Experiments on benchmark reasoning datasets (ProofWriter, EntailmentBank, bAbI, CLUTRR, and ARC-Challenge) demonstrate improvements in logical consistency, interpretability, and computational efficiency over state\-of\-the\-art neuro\-symbolic models. Our results suggest that GSP provides a mathematically grounded and computationally efficient substrate for robust and interpretable reasoning systems.

We introduce a large-scale dataset of math word problems and an interpretable neural math problem solver that learns to map problems to operation programs. Due to annotation challenges, current datasets in this domain have been either relatively small in scale or did not offer precise operational annotations over diverse problem types. We introduce a new representation language to model precise operation programs corresponding to each math problem that aim to improve both the performance and the interpretability of the learned models. Using this representation language, our new dataset, MathQA, significantly enhances the AQuA dataset with fully-specified operational programs. We additionally introduce a neural sequence-to-program model enhanced with automatic problem categorization. Our experiments show improvements over competitive baselines in our MathQA as well as the AQuA dataset. The results are still significantly lower than human performance indicating that the dataset poses new challenges for future research. Our dataset is available at: https://math-qa.github.io/math-QA/

Tokenization is the first - and often underappreciated - layer of computation in language models. While Chain-of-Thought (CoT) prompting enables transformer models to approximate recurrent computation by externalizing intermediate steps, we show that the success of such reasoning is fundamentally bounded by the structure of tokenized inputs. This work presents a theoretical and empirical investigation into how tokenization schemes, particularly subword-based methods like byte-pair encoding (BPE), impede symbolic computation by merging or obscuring atomic reasoning units. We introduce the notion of Token Awareness to formalize how poor token granularity disrupts logical alignment and prevents models from generalizing symbolic procedures. Through systematic evaluation on arithmetic and symbolic tasks, we demonstrate that token structure dramatically affect reasoning performance, causing failure even with CoT, while atomically-aligned formats unlock strong generalization, allowing small models (e.g., GPT-4o-mini) to outperform larger systems (e.g., o1) in structured reasoning. Our findings reveal that symbolic reasoning ability in LLMs is not purely architectural, but deeply conditioned on token-level representations.

We frame the problem of unifying representations in neural models as one of sparse model recovery and introduce a framework that extends sparse autoencoders (SAEs) to lifted spaces and infinite-dimensional function spaces, enabling mechanistic interpretability of large neural operators (NO). While the Platonic Representation Hypothesis suggests that neural networks converge to similar representations across architectures, the representational properties of neural operators remain underexplored despite their growing importance in scientific computing. We compare the inference and training dynamics of SAEs, lifted-SAE, and SAE neural operators. We highlight how lifting and operator modules introduce beneficial inductive biases, enabling faster recovery, improved recovery of smooth concepts, and robust inference across varying resolutions, a property unique to neural operators.

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 introduce Explanatory Learning (EL), a framework to let machines use existing knowledge buried in symbolic sequences -- e.g. explanations written in hieroglyphic -- by autonomously learning to interpret them. In EL, the burden of interpreting symbols is not left to humans or rigid human-coded compilers, as done in Program Synthesis. Rather, EL calls for a learned interpreter, built upon a limited collection of symbolic sequences paired with observations of several phenomena. This interpreter can be used to make predictions on a novel phenomenon given its explanation, and even to find that explanation using only a handful of observations, like human scientists do. We formulate the EL problem as a simple binary classification task, so that common end-to-end approaches aligned with the dominant empiricist view of machine learning could, in principle, solve it. To these models, we oppose Critical Rationalist Networks (CRNs), which instead embrace a rationalist view on the acquisition of knowledge. CRNs express several desired properties by construction, they are truly explainable, can adjust their processing at test-time for harder inferences, and can offer strong confidence guarantees on their predictions. As a final contribution, we introduce Odeen, a basic EL environment that simulates a small flatland-style universe full of phenomena to explain. Using Odeen as a testbed, we show how CRNs outperform empiricist end-to-end approaches of similar size and architecture (Transformers) in discovering explanations for novel phenomena.

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current formulations of such networks only the parameters of the neural modules and/or the order of their execution is learned. In this work, we further expand this approach and also learn the underlying internal structure of modules in terms of the ordering and combination of simple and elementary arithmetic operators. Our results show that one is indeed able to simultaneously learn both internal module structure and module sequencing without extra supervisory signals for module execution sequencing. With this approach, we report performance comparable to models using hand-designed modules.

Physics is based on probabilities as fundamental entities of a mathematical description. Expectation values of observables are computed according to the classical statistical rule. The overall probability distribution for one world covers all times. The quantum formalism arises once one focuses on the evolution of the time-local probabilistic information. Wave functions or the density matrix allow the formulation of a general linear evolution law for classical statistics. The quantum formalism for classical statistics is a powerful tool which allows us to implement for generalized Ising models the momentum observable with the associated Fourier representation. The association of operators to observables permits the computation of expectation values in terms of the density matrix by the usual quantum rule. We show that probabilistic cellular automata are quantum systems in a formulation with discrete time steps and real wave functions. With a complex structure the evolution operator for automata can be expressed in terms of a Hamiltonian involving fermionic creation and annihilation operators. The time-local probabilistic information amounts to a subsystem of the overall probabilistic system which is correlated with its environment consisting of the past and future. Such subsystems typically involve probabilistic observables for which only a probability distribution for their possible measurement values is available. Incomplete statistics does not permit to compute classical correlation functions for arbitrary subsystem-observables. Bell's inequalities are not generally applicable.

DisCoPy is a Python toolkit for computing with monoidal categories. It comes with two flexible data structures for string diagrams: the first one for planar monoidal categories based on lists of layers, the second one for symmetric monoidal categories based on cospans of hypergraphs. Algorithms for functor application then allow to translate string diagrams into code for numerical computation, be it differentiable, probabilistic or quantum. This report gives an overview of the library and the new developments released in its version 1.0. In particular, we showcase the implementation of diagram equality for a large fragment of the hierarchy of graphical languages for monoidal categories, as well as a new syntax for defining string diagrams as Python functions.

We present an elementary, self-contained proof of Grothendieck's inequality that unifies the real and complex cases and yields both the Krivine and Haagerup bounds, the current best-known explicit bounds for the real and complex Grothendieck constants respectively. This article is intended to be pedagogical, combining and streamlining known ideas of Lindenstrauss--Pe{\l}czy\'nski, Krivine, and Haagerup into a proof that need only univariate calculus, basic complex variables, and a modicum of linear algebra as prerequisites.

Vector Symbolic Architectures (VSAs) give a way to represent a complex object as a single fixed-length vector, so that similar objects have similar vector representations. These vector representations then become easy to use for machine learning or nearest-neighbor search. We review a previously proposed VSA method, MBAT (Matrix Binding of Additive Terms), which uses multiplication by random matrices for binding related terms. However, multiplying by such matrices introduces instabilities which can harm performance. Making the random matrices be orthogonal matrices provably fixes this problem. With respect to larger scale applications, we see how to apply MBAT vector representations for any data expressed in JSON. JSON is used in numerous programming languages to express complex data, but its native format appears highly unsuited for machine learning. Expressing JSON as a fixed-length vector makes it readily usable for machine learning and nearest-neighbor search. Creating such JSON vectors also shows that a VSA needs to employ binding operations that are non-commutative. VSAs are now ready to try with full-scale practical applications, including healthcare, pharmaceuticals, and genomics. Keywords: MBAT (Matrix Binding of Additive Terms), VSA (Vector Symbolic Architecture), HDC (Hyperdimensional Computing), Distributed Representations, Binding, Orthogonal Matrices, Recurrent Connections, Machine Learning, Search, JSON, VSA Applications

Large Language Models (LLMs) have shown human-like reasoning abilities but still struggle with complex logical problems. This paper introduces a novel framework, Logic-LM, which integrates LLMs with symbolic solvers to improve logical problem-solving. Our method first utilizes LLMs to translate a natural language problem into a symbolic formulation. Afterward, a deterministic symbolic solver performs inference on the formulated problem. We also introduce a self-refinement module, which utilizes the symbolic solver's error messages to revise symbolic formalizations. We demonstrate Logic-LM's effectiveness on five logical reasoning datasets: ProofWriter, PrOntoQA, FOLIO, LogicalDeduction, and AR-LSAT. On average, Logic-LM achieves a significant performance boost of 39.2% over using LLM alone with standard prompting and 18.4% over LLM with chain-of-thought prompting. Our findings suggest that Logic-LM, by combining LLMs with symbolic logic, offers a promising avenue for faithful logical reasoning. Code and data are publicly available at https://github.com/teacherpeterpan/Logic-LLM.

We propose the Neuro-Symbolic Concept Learner (NS-CL), a model that learns visual concepts, words, and semantic parsing of sentences without explicit supervision on any of them; instead, our model learns by simply looking at images and reading paired questions and answers. Our model builds an object-based scene representation and translates sentences into executable, symbolic programs. To bridge the learning of two modules, we use a neuro-symbolic reasoning module that executes these programs on the latent scene representation. Analogical to human concept learning, the perception module learns visual concepts based on the language description of the object being referred to. Meanwhile, the learned visual concepts facilitate learning new words and parsing new sentences. We use curriculum learning to guide the searching over the large compositional space of images and language. Extensive experiments demonstrate the accuracy and efficiency of our model on learning visual concepts, word representations, and semantic parsing of sentences. Further, our method allows easy generalization to new object attributes, compositions, language concepts, scenes and questions, and even new program domains. It also empowers applications including visual question answering and bidirectional image-text retrieval.

Conversion of spoken mathematical expressions is a challenging task that involves transcribing speech into a strictly structured symbolic representation while addressing the ambiguity inherent in the pronunciation of equations. Although significant progress has been achieved in automatic speech recognition (ASR) and language models (LM), the problem of converting spoken mathematics into LaTeX remains underexplored. This task directly applies to educational and research domains, such as lecture transcription or note creation. Based on ASR post-correction, prior work requires 2 transcriptions, focuses only on isolated equations, has a limited test set, and provides neither training data nor multilingual coverage. To address these issues, we present the first fully open-source large-scale dataset, comprising over 66,000 human-annotated audio samples of mathematical equations and sentences in both English and Russian, drawn from diverse scientific domains. In addition to the ASR post-correction models and few-shot prompting, we apply audio language models, demonstrating comparable character error rate (CER) results on the MathSpeech benchmark (28% vs. 30%) for the equations conversion. In contrast, on the proposed S2L-equations benchmark, our models outperform the MathSpeech model by a substantial margin of more than 40 percentage points, even after accounting for LaTeX formatting artifacts (27% vs. 64%). We establish the first benchmark for mathematical sentence recognition (S2L-sentences) and achieve an equation CER of 40%. This work lays the groundwork for future advances in multimodal AI, with a particular focus on mathematical content recognition.

Learning partial differential equations' (PDEs) solution operators is an essential problem in machine learning. However, there are several challenges for learning operators in practical applications like the irregular mesh, multiple input functions, and complexity of the PDEs' solution. To address these challenges, we propose a general neural operator transformer (GNOT), a scalable and effective transformer-based framework for learning operators. By designing a novel heterogeneous normalized attention layer, our model is highly flexible to handle multiple input functions and irregular meshes. Besides, we introduce a geometric gating mechanism which could be viewed as a soft domain decomposition to solve the multi-scale problems. The large model capacity of the transformer architecture grants our model the possibility to scale to large datasets and practical problems. We conduct extensive experiments on multiple challenging datasets from different domains and achieve a remarkable improvement compared with alternative methods. Our code and data are publicly available at https://github.com/thu-ml/GNOT.

We propose a new bound for generalization of neural networks using Koopman operators. Whereas most of existing works focus on low-rank weight matrices, we focus on full-rank weight matrices. Our bound is tighter than existing norm-based bounds when the condition numbers of weight matrices are small. Especially, it is completely independent of the width of the network if the weight matrices are orthogonal. Our bound does not contradict to the existing bounds but is a complement to the existing bounds. As supported by several existing empirical results, low-rankness is not the only reason for generalization. Furthermore, our bound can be combined with the existing bounds to obtain a tighter bound. Our result sheds new light on understanding generalization of neural networks with full-rank weight matrices, and it provides a connection between operator-theoretic analysis and generalization of neural networks.

Automatic program repair seeks to generate correct code from buggy programs, with most approaches searching the correct program in a discrete, symbolic space of source code tokens. This symbolic search is fundamentally limited by its inability to directly reason about program behavior. We introduce Gradient-Based Program Repair (GBPR), a new paradigm that reframes program repair as continuous optimization in a differentiable numerical program space. Our core insight is to compile symbolic programs into differentiable numerical representations, enabling search in the numerical program space directly guided by program behavior. To evaluate GBPR, we present RaspBugs, a new benchmark of 1,466 buggy symbolic RASP programs and their respective numerical representations. Our experiments demonstrate that GBPR can effectively repair buggy symbolic programs by gradient-based optimization in the numerical program space, with convincing repair trajectories. To our knowledge, we are the first to state program repair as continuous optimization in a numerical program space. Our work establishes a new direction for program repair research, bridging two rich worlds: continuous optimization and program behavior.

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.

Embedding words in high-dimensional vector spaces has proven valuable in many natural language applications. In this work, we investigate whether similarly-trained embeddings of integers can capture concepts that are useful for mathematical applications. We probe the integer embeddings for mathematical knowledge, apply them to a set of numerical reasoning tasks, and show that by learning the representations from mathematical sequence data, we can substantially improve over number embeddings learned from English text corpora.

Neural operators have proven to be a promising approach for modeling spatiotemporal systems in the physical sciences. However, training these models for large systems can be quite challenging as they incur significant computational and memory expense -- these systems are often forced to rely on autoregressive time-stepping of the neural network to predict future temporal states. While this is effective in managing costs, it can lead to uncontrolled error growth over time and eventual instability. We analyze the sources of this autoregressive error growth using prototypical neural operator models for physical systems and explore ways to mitigate it. We introduce architectural and application-specific improvements that allow for careful control of instability-inducing operations within these models without inflating the compute/memory expense. We present results on several scientific systems that include Navier-Stokes fluid flow, rotating shallow water, and a high-resolution global weather forecasting system. We demonstrate that applying our design principles to neural operators leads to significantly lower errors for long-term forecasts as well as longer time horizons without qualitative signs of divergence compared to the original models for these systems. We open-source our https://github.com/mikemccabe210/stabilizing_neural_operators{code} for reproducibility.

Lion (Evolved Sign Momentum), a new optimizer discovered through program search, has shown promising results in training large AI models. It performs comparably or favorably to AdamW but with greater memory efficiency. As we can expect from the results of a random search program, Lion incorporates elements from several existing algorithms, including signed momentum, decoupled weight decay, Polak, and Nesterov momentum, but does not fit into any existing category of theoretically grounded optimizers. Thus, even though Lion appears to perform well as a general-purpose optimizer for a wide range of tasks, its theoretical basis remains uncertain. This lack of theoretical clarity limits opportunities to further enhance and expand Lion's efficacy. This work aims to demystify Lion. Based on both continuous-time and discrete-time analysis, we demonstrate that Lion is a theoretically novel and principled approach for minimizing a general loss function f(x) while enforcing a bound constraint |x|_infty leq 1/lambda. Lion achieves this through the incorporation of decoupled weight decay, where lambda represents the weight decay coefficient. Our analysis is made possible by the development of a new Lyapunov function for the Lion updates. It applies to a broader family of Lion-kappa algorithms, where the sign(cdot) operator in Lion is replaced by the subgradient of a convex function kappa, leading to the solution of a general composite optimization problem of min_x f(x) + kappa^*(x). Our findings provide valuable insights into the dynamics of Lion and pave the way for further improvements and extensions of Lion-related algorithms.

Humans interact with the environment using a combination of perception - transforming sensory inputs from their environment into symbols, and cognition - mapping symbols to knowledge about the environment for supporting abstraction, reasoning by analogy, and long-term planning. Human perception-inspired machine perception, in the context of AI, refers to large-scale pattern recognition from raw data using neural networks trained using self-supervised learning objectives such as next-word prediction or object recognition. On the other hand, machine cognition encompasses more complex computations, such as using knowledge of the environment to guide reasoning, analogy, and long-term planning. Humans can also control and explain their cognitive functions. This seems to require the retention of symbolic mappings from perception outputs to knowledge about their environment. For example, humans can follow and explain the guidelines and safety constraints driving their decision-making in safety-critical applications such as healthcare, criminal justice, and autonomous driving. This article introduces the rapidly emerging paradigm of Neurosymbolic AI combines neural networks and knowledge-guided symbolic approaches to create more capable and flexible AI systems. These systems have immense potential to advance both algorithm-level (e.g., abstraction, analogy, reasoning) and application-level (e.g., explainable and safety-constrained decision-making) capabilities of AI systems.

Large language models (LLMs) have recently demonstrated an impressive ability to perform arithmetic and symbolic reasoning tasks, when provided with a few examples at test time ("few-shot prompting"). Much of this success can be attributed to prompting methods such as "chain-of-thought'', which employ LLMs for both understanding the problem description by decomposing it into steps, as well as solving each step of the problem. While LLMs seem to be adept at this sort of step-by-step decomposition, LLMs often make logical and arithmetic mistakes in the solution part, even when the problem is decomposed correctly. In this paper, we present Program-Aided Language models (PAL): a novel approach that uses the LLM to read natural language problems and generate programs as the intermediate reasoning steps, but offloads the solution step to a runtime such as a Python interpreter. With PAL, decomposing the natural language problem into runnable steps remains the only learning task for the LLM, while solving is delegated to the interpreter. We demonstrate this synergy between a neural LLM and a symbolic interpreter across 13 mathematical, symbolic, and algorithmic reasoning tasks from BIG-Bench Hard and other benchmarks. In all these natural language reasoning tasks, generating code using an LLM and reasoning using a Python interpreter leads to more accurate results than much larger models. For example, PAL using Codex achieves state-of-the-art few-shot accuracy on the GSM8K benchmark of math word problems, surpassing PaLM-540B which uses chain-of-thought by absolute 15% top-1. Our code and data are publicly available at http://reasonwithpal.com/ .

Modern Question Answering (QA) and Reasoning approaches based on Large Language Models (LLMs) commonly use prompting techniques, such as Chain-of-Thought (CoT), assuming the resulting generation will have a more granular exploration and reasoning over the question space and scope. However, such methods struggle with generating outputs that are faithful to the intermediate chain of reasoning produced by the model. On the other end of the spectrum, neuro-symbolic methods such as Faithful CoT (F-CoT) propose to combine LLMs with external symbolic solvers. While such approaches boast a high degree of faithfulness, they usually require a model trained for code generation and struggle with tasks that are ambiguous or hard to formalise strictly. We introduce Faithful Logic-Aided Reasoning and Exploration (\ours), a novel interpretable approach for traversing the problem space using task decompositions. We use the LLM to plan a solution, soft-formalise the query into facts and predicates using a logic programming code and simulate that code execution using an exhaustive multi-hop search over the defined space. Our method allows us to compute the faithfulness of the reasoning process w.r.t. the generated code and analyse the steps of the multi-hop search without relying on external solvers. Our methods achieve SOTA results on 7 out of 9 diverse reasoning benchmarks. We also show that model faithfulness positively correlates with overall performance and further demonstrate that {\ours} allows pinpointing the decisive factors sufficient for and leading to the correct answer with optimal reasoning during the multi-hop search.

We introduce CLEVR-Math, a multi-modal math word problems dataset consisting of simple math word problems involving addition/subtraction, represented partly by a textual description and partly by an image illustrating the scenario. The text describes actions performed on the scene that is depicted in the image. Since the question posed may not be about the scene in the image, but about the state of the scene before or after the actions are applied, the solver envision or imagine the state changes due to these actions. Solving these word problems requires a combination of language, visual and mathematical reasoning. We apply state-of-the-art neural and neuro-symbolic models for visual question answering on CLEVR-Math and empirically evaluate their performances. Our results show how neither method generalise to chains of operations. We discuss the limitations of the two in addressing the task of multi-modal word problem solving.

We introduce MathSticks, a benchmark for Visual Symbolic Compositional Reasoning (VSCR), which unifies visual perception, symbolic manipulation, and arithmetic consistency. Each task presents an incorrect matchstick equation that must be corrected by moving one or two sticks under strict conservation rules. The benchmark includes both text-guided and purely visual settings, systematically covering digit scale, move complexity, solution multiplicity, and operator variation, with 1.4M generated instances and a curated test set. Evaluations of 14 vision--language models reveal substantial limitations: closed-source models succeed only on simple cases, open-source models fail in the visual regime, while humans exceed 90\% accuracy. These findings establish MathSticks as a rigorous testbed for advancing compositional reasoning across vision and symbols. Our code and dataset are publicly available at https://github.com/Yuheng2000/MathSticks.