Daily Papers

Rapid progress in multimodal large language models (MLLMs) highlights the need to introduce challenging yet realistic benchmarks to the academic community, while existing benchmarks primarily focus on understanding simple natural images and short context. In this paper, we present MULTI as a cutting-edge benchmark for evaluating MLLMs on understanding complex tables and images, and reasoning with long context. MULTI provides multimodal inputs and requires responses that are either precise or open-ended, reflecting real-life examination styles. MULTI includes over 18,000 questions and challenges MLLMs with a variety of tasks, ranging from formula derivation to image detail analysis and cross-modality reasoning. We also introduce MULTI-Elite, a 500-question selected hard subset, and MULTI-Extend, with more than 4,500 external knowledge context pieces. Our evaluation indicates significant potential for MLLM advancement, with GPT-4V achieving a 63.7% accuracy rate on MULTI, in contrast to other MLLMs scoring between 28.5% and 55.3%. MULTI serves not only as a robust evaluation platform but also paves the way for the development of expert-level AI.

Humans can directly imagine and manipulate visual images in their minds, a capability known as spatial visualization. While multi-modal Large Language Models (MLLMs) support imagination-based reasoning, spatial visualization remains insufficiently evaluated, typically embedded within broader mathematical and logical assessments. Existing evaluations often rely on IQ tests or math competitions that may overlap with training data, compromising assessment reliability. To this end, we introduce SpatialViz-Bench, a comprehensive multi-modal benchmark for spatial visualization with 12 tasks across 4 sub-abilities, comprising 1,180 automatically generated problems. Our evaluation of 33 state-of-the-art MLLMs not only reveals wide performance variations and demonstrates the benchmark's strong discriminative power, but also uncovers counter-intuitive findings: models exhibit unexpected behaviors by showing difficulty perception that misaligns with human intuition, displaying dramatic 2D-to-3D performance cliffs, and defaulting to formula derivation despite spatial tasks requiring visualization alone. SpatialVizBench empirically demonstrates that state-of-the-art MLLMs continue to exhibit deficiencies in spatial visualization tasks, thereby addressing a significant lacuna in the field. The benchmark is publicly available.

This paper studies the problem of solving complex chemistry problems with large language models (LLMs). Despite the extensive general knowledge in LLMs (such as GPT-4), they struggle with chemistry reasoning that requires faithful grounded reasoning with diverse chemical knowledge and an integrative understanding of chemical interactions. We propose InstructChem, a new structured reasoning approach that substantially boosts the LLMs' chemical reasoning capabilities. InstructChem explicitly decomposes the reasoning into three critical phrases, including chemical formulae generation by LLMs that offers the basis for subsequent grounded reasoning, step-by-step reasoning that makes multi-step derivations with the identified formulae for a preliminary answer, and iterative review-and-refinement that steers LLMs to progressively revise the previous phases for increasing confidence, leading to the final high-confidence answer. We conduct extensive experiments on four different chemistry challenges, including quantum chemistry, quantum mechanics, physical chemistry, and chemistry kinetics. Our approach significantly enhances GPT-4 on chemistry reasoning, yielding an 8% average absolute improvement and a 30% peak improvement. We further use the generated reasoning by GPT-4 to fine-tune smaller LMs (e.g., Vicuna) and observe strong improvement of the smaller LMs. This validates our approach and enables LLMs to generate high-quality reasoning.

Mathematical formulas are a fundamental and widely used component in various scientific fields, serving as a universal language for expressing complex concepts and relationships. While state-of-the-art transformer models excel in processing and understanding natural language, they encounter challenges with mathematical notation, which involves a complex structure and diverse representations. This study focuses on the development of specialized training datasets to enhance the encoding of mathematical content. We introduce Math Mutator (MAMUT), a framework capable of generating equivalent and falsified versions of a given mathematical formula in LaTeX notation, effectively capturing the mathematical variety in notation of the same concept. Based on MAMUT, we have generated four large mathematical datasets containing diverse notation, which can be used to train language models with enhanced mathematical embeddings.

Ongoing efforts that span over decades show a rise of AI methods for accelerating scientific discovery, yet accelerating discovery in mathematics remains a persistent challenge for AI. Specifically, AI methods were not effective in creation of formulas for mathematical constants because each such formula must be correct for infinite digits of precision, with "near-true" formulas providing no insight toward the correct ones. Consequently, formula discovery lacks a clear distance metric needed to guide automated discovery in this realm. In this work, we propose a systematic methodology for categorization, characterization, and pattern identification of such formulas. The key to our methodology is introducing metrics based on the convergence dynamics of the formulas, rather than on the numerical value of the formula. These metrics enable the first automated clustering of mathematical formulas. We demonstrate this methodology on Polynomial Continued Fraction formulas, which are ubiquitous in their intrinsic connections to mathematical constants, and generalize many mathematical functions and structures. We test our methodology on a set of 1,768,900 such formulas, identifying many known formulas for mathematical constants, and discover previously unknown formulas for pi, ln(2), Gauss', and Lemniscate's constants. The uncovered patterns enable a direct generalization of individual formulas to infinite families, unveiling rich mathematical structures. This success paves the way towards a generative model that creates formulas fulfilling specified mathematical properties, accelerating the rate of discovery of useful formulas.

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.

Formula recognition is an important task in document intelligence. It involves converting mathematical expressions from document images into structured symbolic formats that computers can easily work with. LaTeX is the most common format used for this purpose. In this work, we present PP-FormulaNet, a state-of-the-art formula recognition model that excels in both accuracy and efficiency. To meet the diverse needs of applications, we have developed two specialized models: PP-FormulaNet-L, tailored for high-accuracy scenarios, and PP-FormulaNet-S, optimized for high-efficiency contexts. Our extensive evaluations reveal that PP-FormulaNet-L attains accuracy levels that surpass those of prominent models such as UniMERNet by a significant 6%. Conversely, PP-FormulaNet-S operates at speeds that are over 16 times faster. These advancements facilitate seamless integration of PP-FormulaNet into a broad spectrum of document processing environments that involve intricate mathematical formulas. Furthermore, we introduce a Formula Mining System, which is capable of extracting a vast amount of high-quality formula data. This system further enhances the robustness and applicability of our formula recognition model. Code and models are publicly available at PaddleOCR(https://github.com/PaddlePaddle/PaddleOCR) and PaddleX(https://github.com/PaddlePaddle/PaddleX).

Spreadsheets are widely recognized as the most popular end-user programming tools, which blend the power of formula-based computation, with an intuitive table-based interface. Today, spreadsheets are used by billions of users to manipulate tables, most of whom are neither database experts nor professional programmers. Despite the success of spreadsheets, authoring complex formulas remains challenging, as non-technical users need to look up and understand non-trivial formula syntax. To address this pain point, we leverage the observation that there is often an abundance of similar-looking spreadsheets in the same organization, which not only have similar data, but also share similar computation logic encoded as formulas. We develop an Auto-Formula system that can accurately predict formulas that users want to author in a target spreadsheet cell, by learning and adapting formulas that already exist in similar spreadsheets, using contrastive-learning techniques inspired by "similar-face recognition" from compute vision. Extensive evaluations on over 2K test formulas extracted from real enterprise spreadsheets show the effectiveness of Auto-Formula over alternatives. Our benchmark data is available at https://github.com/microsoft/Auto-Formula to facilitate future research.

We consider in this work quantities that can be obtained as limits of powers of parametrized matrices, for instance the inverse matrix or the logarithm of the determinant. Under the assumption of affine dependence in the parameters, we use the Empirical Interpolation Method (EIM) to derive an approximation for powers of these matrices, from which we derive a nonintrusive approximation for the aforementioned limits. We derive upper bounds of the error made by the obtained formula. Finally, numerical comparisons with classical intrusive and nonintrusive approximation techniques are provided: in the considered test-cases, our algorithm performs well compared to the nonintrusive ones.

This paper studies a machine learning regression problem as a multivariate approximation problem using the framework of the theory of random functions. An ab initio derivation of a regression method is proposed, starting from postulates of indifference. It is shown that if a probability measure on an infinite-dimensional function space possesses natural symmetries (invariance under translation, rotation, scaling, and Gaussianity), then the entire solution scheme, including the kernel form, the type of regularization, and the noise parameterization, follows analytically from these postulates. The resulting kernel coincides with a generalized polyharmonic spline; however, unlike existing approaches, it is not chosen empirically but arises as a consequence of the indifference principle. This result provides a theoretical foundation for a broad class of smoothing and interpolation methods, demonstrating their optimality in the absence of a priori information.

The polarization of an X-ray beam that produces electrons with velocity components perpendicular to the beam generates an azimuthal distribution of the ejected electrons. We present methods for simulating and for analyzing the angular dependence of electron detections which enable us to derive simple analytical expressions for useful statistical properties of observable data. The derivations are verified by simulations. While we confirm the results of previous work on this topic, we provide an extension needed for analytical treatment of the full range of possible polarization amplitudes.

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.

Studies of density matrices for random quantum states lead naturally to the fixed trace Laguerre ensemble in random matrix theory. Previous studies have uncovered explicit rational function formulas for moments of purity statistic (trace of the squared density matrix), and also a third order linear differential equation satisfied by the eigenvalue density. We further probe the origin of these results from the viewpoint of integrability, which is taken here to mean wider classes of recursions and differential equations, and give extensions. Prominent in our study are first order linear matrix differential equations. One application given is to the derivation of the third order scalar equation for the density. Another is to obtain the explicit rational function formula for the variance of the purity statistic in the β generalised fixed trace Laguerre ensemble. In the original case (β= 2), the purity cumulants are expressed in terms of the large argument expansion of a particular σ-Painlevé IV transcendent. In a different but related direction, the exact computation of the two-point correlation for the fixed determinant circular unitary ensemble SU(N) is given the Appendix.

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

Correctly parsing mathematical formulas from PDFs is critical for training large language models and building scientific knowledge bases from academic literature, yet existing benchmarks either exclude formulas entirely or lack semantically-aware evaluation metrics. We introduce a novel benchmarking framework centered on synthetically generated PDFs with precise LaTeX ground truth, enabling systematic control over layout, formulas, and content characteristics. A key methodological contribution is pioneering LLM-as-a-judge for semantic formula assessment, combined with a robust two-stage matching pipeline that handles parser output inconsistencies. Through human validation on 250 formula pairs (750 ratings from 30 evaluators), we demonstrate that LLM-based evaluation achieves substantially higher correlation with human judgment (Pearson r=0.78) compared to CDM (r=0.34) and text similarity (r~0). Evaluating 20+ contemporary PDF parsers (including specialized OCR models, vision-language models, and rule-based approaches) across 100 synthetic documents with 2,000+ formulas reveals significant performance disparities. Our findings provide crucial insights for practitioners selecting parsers for downstream applications and establish a robust, scalable methodology that enables reproducible evaluation of PDF formula extraction quality. Code and benchmark data: https://github.com/phorn1/pdf-parse-bench

Formula recognition presents significant challenges due to the complicated structure and varied notation of mathematical expressions. Despite continuous advancements in formula recognition models, the evaluation metrics employed by these models, such as BLEU and Edit Distance, still exhibit notable limitations. They overlook the fact that the same formula has diverse representations and is highly sensitive to the distribution of training data, thereby causing the unfairness in formula recognition evaluation. To this end, we propose a Character Detection Matching (CDM) metric, ensuring the evaluation objectivity by designing a image-level rather than LaTex-level metric score. Specifically, CDM renders both the model-predicted LaTeX and the ground-truth LaTeX formulas into image-formatted formulas, then employs visual feature extraction and localization techniques for precise character-level matching, incorporating spatial position information. Such a spatially-aware and character-matching method offers a more accurate and equitable evaluation compared with previous BLEU and Edit Distance metrics that rely solely on text-based character matching. Experimentally, we evaluated various formula recognition models using CDM, BLEU, and ExpRate metrics. Their results demonstrate that the CDM aligns more closely with human evaluation standards and provides a fairer comparison across different models by eliminating discrepancies caused by diverse formula representations.

The study demonstrates the capabilities of a vector-based approach for calculating stoichiometric coefficients in chemical equations, using black powder as an illustrative example. A method is proposed for selecting and constraining intermediate interactions between reactants, as well as for identifying final products. It is shown that even a small number of components can lead to a large number of final and intermediate products. Through concrete calculations, a correlation is established between the number of possible chemical equations and the number of reactants. A methodology is proposed for computing all possible chemical equations within a reaction system for arbitrary component ratios, enabling the derivation of all feasible chemical reactions. Additionally, a method is developed for calculating the chemical composition for a fixed set of reactants, allowing for the evaluation of the set of products resulting from all possible chemical interactions given a specified initial composition.

Understanding sentences that contain mathematical expressions in text form poses significant challenges. To address this, the importance of converting these expressions into formula images has been highlighted. For instance, the expression ``x equals minus b plus or minus the square root of b squared minus four a c, all over two a'' is more readily comprehensible when displayed as an image x = -b pm sqrt{b^2 - 4ac}{2a}. To develop a text-to-image conversion system, we can break down the process into text-to-LaTeX and LaTeX-to-image conversions, with the latter being managed with by existing various LaTeX engines. However, the former approach has been notably hindered by the severe scarcity of text-to-LaTeX paired data, presenting a significant challenge in the field.In this context, we introduce MathBridge, the first extensive dataset for translating mathematical spoken English into LaTeX, which aims to establish a robust baseline for future research in text-to-LaTeX translation. MathBridge comprises approximately 23 million LaTeX formulas paired with corresponding spoken English expressions. Through comprehensive evaluations, including fine-tuning and testing with data, we discovered that MathBridge significantly enhances pre-trained language models' capabilities for text-to-LaTeX translation. Specifically, for the T5-large model, the sacreBLEU score increased from 4.77 to 46.8, demonstrating substantial enhancement. Our findings indicate the necessity for a new metric specifically for text-to-LaTeX conversion evaluation.

This research enhances linear regression models by integrating a Kalman filter and analysing curve areas to minimize loss. The goal is to develop an optimal linear regression equation using stochastic gradient descent (SGD) for weight updating. Our approach involves a stepwise process, starting with user-defined parameters. The linear regression model is trained using SGD, tracking weights and loss separately and zipping them finally. A Kalman filter is then trained based on weight and loss arrays to predict the next consolidated weights. Predictions result from multiplying input averages with weights, evaluated for loss to form a weight-versus-loss curve. The curve's equation is derived using the two-point formula, and area under the curve is calculated via integration. The linear regression equation with minimum area becomes the optimal curve for prediction. Benefits include avoiding constant weight updates via gradient descent and working with partial datasets, unlike methods needing the entire set. However, computational complexity should be considered. The Kalman filter's accuracy might diminish beyond a certain prediction range.

This paper addresses the problem of formalizing and quantifying the concept of "intensional inheritance" between two concepts. We begin by conceiving the intensional inheritance of W from F as the amount of information the proposition "x is F " provides about the proposition "x is W. To flesh this out, we consider concepts F and W defined by sets of properties left{F_{1}, F_{2}, ldots, F_{n}right} and left{W_{1}, W_{2}, ldots, W_{m}right} with associated degrees left{d_{1}, d_{2}, ldots, d_{n}right} and left{e_{1}, e_{2}, ldots, e_{m}right}, respectively, where the properties may overlap. We then derive formulas for the intensional inheritance using both Shannon information theory and algorithmic information theory, incorporating interaction information among properties. We examine a special case where all properties are mutually exclusive and calculate the intensional inheritance in this case in both frameworks. We also derive expressions for P(W mid F) based on the mutual information formula. Finally we consider the relationship between intensional inheritance and conventional set-theoretic "extensional" inheritance, concluding that in our information-theoretic framework, extensional inheritance emerges as a special case of intensional inheritance.

Formula alpha mining, which generates predictive signals from financial data, is critical for quantitative investment. Although various algorithmic approaches-such as genetic programming, reinforcement learning, and large language models-have significantly expanded the capacity for alpha discovery, systematic evaluation remains a key challenge. Existing evaluation metrics predominantly include backtesting and correlation-based measures. Backtesting is computationally intensive, inherently sequential, and sensitive to specific strategy parameters. Correlation-based metrics, though efficient, assess only predictive ability and overlook other crucial properties such as temporal stability, robustness, diversity, and interpretability. Additionally, the closed-source nature of most existing alpha mining models hinders reproducibility and slows progress in this field. To address these issues, we propose AlphaEval, a unified, parallelizable, and backtest-free evaluation framework for automated alpha mining models. AlphaEval assesses the overall quality of generated alphas along five complementary dimensions: predictive power, stability, robustness to market perturbations, financial logic, and diversity. Extensive experiments across representative alpha mining algorithms demonstrate that AlphaEval achieves evaluation consistency comparable to comprehensive backtesting, while providing more comprehensive insights and higher efficiency. Furthermore, AlphaEval effectively identifies superior alphas compared to traditional single-metric screening approaches. All implementations and evaluation tools are open-sourced to promote reproducibility and community engagement.

Minkowski functionals quantify the morphology of smooth random fields. They are widely used to probe statistical properties of cosmological fields. Analytic formulae for ensemble expectations of Minkowski functionals are well known for Gaussian and mildly non-Gaussian fields. In this paper we extend the formulae to composite fields which are sums of two fields and explicitly derive the expressions for the sum of uncorrelated mildly non-Gaussian and Gaussian fields. These formulae are applicable to observed data which is usually a sum of the true signal and one or more secondary fields that can be either noise, or some residual contaminating signal. Our formulae provide explicit quantification of the effect of the secondary field on the morphology and statistical nature of the true signal. As examples, we apply the formulae to determine how the presence of Gaussian noise can bias the morphological properties and statistical nature of Gaussian and non-Gaussian CMB temperature maps.

Text and formulas constitute the core informational components of many documents. Accurately and efficiently recognizing both is crucial for developing robust and generalizable document parsing systems. Recently, vision-language models (VLMs) have achieved impressive unified recognition of text and formulas. However, they are large-sized and computationally demanding, restricting their usage in many applications. In this paper, we propose UniRec-0.1B, a unified recognition model with only 0.1B parameters. It is capable of performing text and formula recognition at multiple levels, including characters, words, lines, paragraphs, and documents. To implement this task, we first establish UniRec40M, a large-scale dataset comprises 40 million text, formula and their mix samples, enabling the training of a powerful yet lightweight model. Secondly, we identify two challenges when building such a lightweight but unified expert model. They are: structural variability across hierarchies and semantic entanglement between textual and formulaic content. To tackle these, we introduce a hierarchical supervision training that explicitly guides structural comprehension, and a semantic-decoupled tokenizer that separates text and formula representations. Finally, we develop a comprehensive evaluation benchmark covering Chinese and English documents from multiple domains and with multiple levels. Experimental results on this and public benchmarks demonstrate that UniRec-0.1B outperforms both general-purpose VLMs and leading document parsing expert models, while achieving a 2-9times speedup, validating its effectiveness and efficiency. Codebase and Dataset: https://github.com/Topdu/OpenOCR.

This article establishes a complete approximate axiomatization for the real-closed field R expanded with all differentially-defined functions, including special functions such as sin(x), cos(x), e^x, dots. Every true sentence is provable up to some numerical approximation, and the truth of such approximations converge under mild conditions. Such an axiomatization is a fragment of the axiomatization for differential dynamic logic, and is therefore a finite extension of the axiomatization of real-closed fields. Furthermore, the numerical approximations approximate formulas containing special function symbols by FOL_{R} formulas, improving upon earlier decidability results only concerning closed sentences.

In this note, we show that the Local Molecular Field theory of Weeks et. al. can be re-derived as an extremum problem for an approximate Helmholtz free energy. Using the resulting free energy as a classical, fluid density functional yields an implicit solvent method identical in form to the Molecular Density Functional theory of Borgis et. al., but with an explicit formula for the 'ideal' free energy term. This new expression for the ideal free energy term can be computed from all-atom molecular dynamics of a solvent with only short-range interactions. The key hypothesis required to make the theory valid is that all smooth (and hence long-range) energy functions obey Gaussian statistics. This is essentially a random phase approximation for perturbations from a short-range only, 'reference,' fluid. This single hypothesis is enough to prove that the self-consistent LMF procedure minimizes a novel density functional whose 'ideal' free energy is the molecular system under a specific, reference Hamiltonian, as opposed to the non-interacting gas of conventional density functionals. Implementation of this new functional into existing software should be straightforward and robust.

This paper gives three formulas for the pseudoinverse of a matrix product A = CR. The first is sometimes correct, the second is always correct, and the third is almost never correct. But that third randomized pseudoinverse A^+_r may be very useful when A is a very large matrix. 1. A^+ = R^+C^+ when A = CR and C has independent columns and R has independent rows. 2. A^+ = (C^+CR)^+(CRR^+)^+ is always correct. 3. A^+_r = (P^TCR)^+P^TCRQ(CRQ)^+ = A^+ only when rank(P^TA) = rank(AQ) = rank(A) with A = CR.

Code has been shown to be effective in enhancing the mathematical reasoning abilities of large language models due to its precision and accuracy. Previous works involving continued mathematical pretraining often include code that utilizes math-related packages, which are primarily designed for fields such as engineering, machine learning, signal processing, or module testing, rather than being directly focused on mathematical reasoning. In this paper, we introduce a novel method for generating mathematical code accompanied with corresponding reasoning steps for continued pretraining. Our approach begins with the construction of a high-quality mathematical continued pretraining dataset by incorporating math-related web data, code using mathematical packages, math textbooks, and synthetic data. Next, we construct reasoning steps by extracting LaTeX expressions, the conditions needed for the expressions, and the results of the expressions from the previously collected dataset. Based on this extracted information, we generate corresponding code to accurately capture the mathematical reasoning process. Appending the generated code to each reasoning step results in data consisting of paired natural language reasoning steps and their corresponding code. Combining this data with the original dataset results in a 19.2B-token high-performing mathematical pretraining corpus, which we name MathCode-Pile. Training several popular base models with this corpus significantly improves their mathematical abilities, leading to the creation of the MathCoder2 family of models. All of our data processing and training code is open-sourced, ensuring full transparency and easy reproducibility of the entire data collection and training pipeline. The code is released at https://github.com/mathllm/MathCoder2 .

The stellar initial mass function is of great significance for the study of star formation and galactic structure. Observations indicate that the IMF follows a power-law form. This work derived that when the expected number of stars formed from a spherical molecular cloud is much greater than 1, there is a relationship between the slope alpha of the IMF and r^n in the radius-density relation of spherically symmetric gas clouds, given by alpha = 3/(n+3) (Gamma_{IMF} = n/(n+3)). This conclusion is close to the results of numerical simulations and observations, but it is derived from a pure probabilistic model, which may have underlying reasons worth pondering.

The demonstrated code-understanding capability of LLMs raises the question of whether they can be used for automated program verification, a task that often demands high-level abstract reasoning about program properties, which is challenging for verification tools. We propose a general methodology to combine the power of LLMs and automated reasoners for automated program verification. We formally describe this methodology as a set of derivation rules and prove its soundness. We instantiate the calculus as a sound automated verification procedure, which led to practical improvements on a set of synthetic and competition benchmarks.

Solving math word problems requires deductive reasoning over the quantities in the text. Various recent research efforts mostly relied on sequence-to-sequence or sequence-to-tree models to generate mathematical expressions without explicitly performing relational reasoning between quantities in the given context. While empirically effective, such approaches typically do not provide explanations for the generated expressions. In this work, we view the task as a complex relation extraction problem, proposing a novel approach that presents explainable deductive reasoning steps to iteratively construct target expressions, where each step involves a primitive operation over two quantities defining their relation. Through extensive experiments on four benchmark datasets, we show that the proposed model significantly outperforms existing strong baselines. We further demonstrate that the deductive procedure not only presents more explainable steps but also enables us to make more accurate predictions on questions that require more complex reasoning.

Formulas involving fundamental mathematical constants had a great impact on various fields of science and mathematics, for example aiding in proofs of irrationality of constants. However, the discovery of such formulas has historically remained scarce, often perceived as an act of mathematical genius by great mathematicians such as Ramanujan, Euler, and Gauss. Recent efforts to automate the discovery of formulas for mathematical constants, such as the Ramanujan Machine project, relied on exhaustive search. Despite several successful discoveries, exhaustive search remains limited by the space of options that can be covered and by the need for vast amounts of computational resources. Here we propose a fundamentally different method to search for conjectures on mathematical constants: through analysis of integer sequences. We introduce the Enumerated Signed-continued-fraction Massey Approve (ESMA) algorithm, which builds on the Berlekamp-Massey algorithm to identify patterns in integer sequences that represent mathematical constants. The ESMA algorithm found various known formulas for e, e^2, tan(1), and ratios of values of Bessel functions. The algorithm further discovered a large number of new conjectures for these constants, some providing simpler representations and some providing faster numerical convergence than the corresponding simple continued fractions. Along with the algorithm, we present mathematical tools for manipulating continued fractions. These connections enable us to characterize what space of constants can be found by ESMA and quantify its algorithmic advantage in certain scenarios. Altogether, this work continues in the development of augmenting mathematical intuition by computer algorithms, to help reveal mathematical structures and accelerate mathematical research.

In recent decades, a growing number of discoveries in fields of mathematics have been assisted by computer algorithms, primarily for exploring large parameter spaces that humans would take too long to investigate. As computers and algorithms become more powerful, an intriguing possibility arises - the interplay between human intuition and computer algorithms can lead to discoveries of novel mathematical concepts that would otherwise remain elusive. To realize this perspective, we have developed a massively parallel computer algorithm that discovers an unprecedented number of continued fraction formulas for fundamental mathematical constants. The sheer number of formulas discovered by the algorithm unveils a novel mathematical structure that we call the conservative matrix field. Such matrix fields (1) unify thousands of existing formulas, (2) generate infinitely many new formulas, and most importantly, (3) lead to unexpected relations between different mathematical constants, including multiple integer values of the Riemann zeta function. Conservative matrix fields also enable new mathematical proofs of irrationality. In particular, we can use them to generalize the celebrated proof by Ap\'ery for the irrationality of zeta(3). Utilizing thousands of personal computers worldwide, our computer-supported research strategy demonstrates the power of experimental mathematics, highlighting the prospects of large-scale computational approaches to tackle longstanding open problems and discover unexpected connections across diverse fields of science.

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.

In this work, we focus on a fractional differential equation in Riesz form discretized by a polynomial B-spline collocation method. For an arbitrary polynomial degree p, we show that the resulting coefficient matrices possess a Toeplitz-like structure. We investigate their spectral properties via their symbol and we prove that, like for second order differential problems, also in this case the given matrices are ill-conditioned both in the low and high frequencies for large p. More precisely, in the fractional scenario the symbol has a single zero at 0 of order α, with α the fractional derivative order that ranges from 1 to 2, and it presents an exponential decay to zero at π for increasing p that becomes faster as α approaches 1. This translates in a mitigated conditioning in the low frequencies and in a deterioration in the high frequencies when compared to second order problems. Furthermore, the derivation of the symbol reveals another similarity of our problem with a classical diffusion problem. Since the entries of the coefficient matrices are defined as evaluations of fractional derivatives of the B-spline basis at the collocation points, we are able to express the central entries of the coefficient matrix as inner products of two fractional derivatives of cardinal B-splines. Finally, we perform a numerical study of the approximation behavior of polynomial B-spline collocation. This study suggests that, in line with non-fractional diffusion problems, the approximation order for smooth solutions in the fractional case is p+2-α for even p, and p+1-α for odd p.

Epidemiologists often wish to estimate quantities that are easy to communicate and correspond to the results of realistic public health scenarios. Methods from causal inference can answer these questions. We adopt the language of potential outcomes under Rubin's original Bayesian framework and show that the parametric g-formula is easily amenable to a Bayesian approach. We show that the frequentist properties of the Bayesian g-formula suggest it improves the accuracy of estimates of causal effects in small samples or when data may be sparse. We demonstrate our approach to estimate the effect of environmental tobacco smoke on body mass index z-scores among children aged 4-9 years who were enrolled in a longitudinal birth cohort in New York, USA. We give a general algorithm and supply SAS and Stan code that can be adopted to implement our computational approach in both time-fixed and longitudinal data.

Large Language Models (LLMs) demonstrate strong performance on mathematical problems when prompted with Chain-of-Thought (CoT), yet it remains unclear whether this success stems from search, rote procedures, or rule-consistent reasoning. To address this, we propose modeling CoT as a certain rule-based stochastic process over directed acyclic graphs (DAGs), where nodes represent intermediate derivation states and edges encode rule applications. Within this framework, we introduce logical closeness, a metric that quantifies how well a model's CoT trajectory (i.e., the LLM's final output) adheres to the DAG structure, providing evaluation beyond classical PASS@k metrics. Building on this, we introduce the DAG-MATH CoT format and construct a benchmark that guides LLMs to generate CoT trajectories in this format, thereby enabling the evaluation of their reasoning ability under our framework. Across standard mathematical reasoning datasets, our analysis uncovers statistically significant differences in reasoning fidelity among representative LLM families-even when PASS@k is comparable-highlighting gaps between final-answer accuracy and rule-consistent derivation. Our framework provides a balance between free-form CoT and formal proofs systems, offering actionable diagnostics for LLMs reasoning evaluation. Our benchmark and code are available at: https://github.com/YuanheZ/DAG-MATH-Formatted-CoT.

We describe and analyse Levenberg-Marquardt methods for solving systems of nonlinear equations. More specifically, we propose an adaptive formula for the Levenberg-Marquardt parameter and analyse the local convergence of the method under Hölder metric subregularity of the function defining the equation and Hölder continuity of its gradient mapping. Further, we analyse the local convergence of the method under the additional assumption that the Łojasiewicz gradient inequality holds. We finally report encouraging numerical results confirming the theoretical findings for the problem of computing moiety conserved steady states in biochemical reaction networks. This problem can be cast as finding a solution of a system of nonlinear equations, where the associated mapping satisfies the Łojasiewicz gradient inequality assumption.

Automated theorem proving (ATP) has become an appealing domain for exploring the reasoning ability of the recent successful generative language models. However, current ATP benchmarks mainly focus on symbolic inference, but rarely involve the understanding of complex number combination reasoning. In this work, we propose TRIGO, an ATP benchmark that not only requires a model to reduce a trigonometric expression with step-by-step proofs but also evaluates a generative LM's reasoning ability on formulas and its capability to manipulate, group, and factor number terms. We gather trigonometric expressions and their reduced forms from the web, annotate the simplification process manually, and translate it into the Lean formal language system. We then automatically generate additional examples from the annotated samples to expand the dataset. Furthermore, we develop an automatic generator based on Lean-Gym to create dataset splits of varying difficulties and distributions in order to thoroughly analyze the model's generalization ability. Our extensive experiments show our proposed TRIGO poses a new challenge for advanced generative LM's including GPT-4 which is pre-trained on a considerable amount of open-source formal theorem-proving language data, and provide a new tool to study the generative LM's ability on both formal and mathematical reasoning.

Formulating a quantum theory of gravity lies at the heart of fundamental theoretical physics. This collection of lecture notes encompasses a selection of topics that were covered in six mini-courses at the Nordita PhD school "Towards Quantum Gravity". The scope was to provide a coherent picture, from its foundation to forefront research, emphasizing connections between different areas. The lectures begin with perturbative quantum gravity and effective field theory. Subsequently, two ultraviolet-complete approaches are presented: asymptotically safe gravity and string theory. Finally, elements of quantum effects in black hole spacetimes are discussed.

Scientists often infer abstract procedures from specific instances of problems and use the abstractions to generate new, related instances. For example, programs encoding the formal rules and properties of a system have been useful in fields ranging from RL (procedural environments) to physics (simulation engines). These programs can be seen as functions which execute to different outputs based on their parameterizations (e.g., gridworld configuration or initial physical conditions). We introduce the term EFA (Executable Functional Abstraction) to denote such programs for math problems. EFA-like constructs have been shown to be useful for math reasoning as problem generators for stress-testing models. However, prior work has been limited to abstractions for grade-school math (whose simple rules are easy to encode in programs), while generating EFAs for advanced math has thus far required human engineering. We explore the automatic construction of EFAs for advanced math problems. We operationalize the task of automatically constructing EFAs as a program synthesis task, and develop EFAGen, which conditions an LLM on a seed math problem and its step-by-step solution to generate candidate EFA programs that are faithful to the generalized problem and solution class underlying the seed problem. Furthermore, we formalize properties any valid EFA must possess in terms of executable unit tests, and show how the tests can be used as verifiable rewards to train LLMs to become better writers of EFAs. We demonstrate that EFAs constructed by EFAGen behave rationally by remaining faithful to seed problems, produce learnable problem variations, and that EFAGen can infer EFAs across multiple diverse sources of competition-level math problems. Finally, we show downstream uses of model-written EFAs e.g. finding problem variations that are harder or easier for a learner to solve, as well as data generation.

Chain-of-thought (CoT) reasoning has been widely applied in the mathematical reasoning of Large Language Models (LLMs). Recently, the introduction of derivative process supervision on CoT trajectories has sparked discussions on enhancing scaling capabilities during test time, thereby boosting the potential of these models. However, in multimodal mathematical reasoning, the scarcity of high-quality CoT training data has hindered existing models from achieving high-precision CoT reasoning and has limited the realization of reasoning potential during test time. In this work, we propose a three-module synthesis strategy that integrates CoT distillation, trajectory-format rewriting, and format unification. It results in a high-quality CoT reasoning instruction fine-tuning dataset in multimodal mathematics, MMathCoT-1M. We comprehensively validate the state-of-the-art (SOTA) performance of the trained URSA-7B model on multiple multimodal mathematical benchmarks. For test-time scaling, we introduce a data synthesis strategy that automatically generates process annotation datasets, known as DualMath-1.1M, focusing on both interpretation and logic. By further training URSA-7B on DualMath-1.1M, we transition from CoT reasoning capabilities to robust supervision abilities. The trained URSA-RM-7B acts as a verifier, effectively enhancing the performance of URSA-7B at test time. URSA-RM-7B also demonstrates excellent out-of-distribution (OOD) verifying capabilities, showcasing its generalization. Model weights, training data and code will be open-sourced.

A supervised learning algorithm searches over a set of functions A to B parametrised by a space P to find the best approximation to some ideal function fcolon A to B. It does this by taking examples (a,f(a)) in Atimes B, and updating the parameter according to some rule. We define a category where these update rules may be composed, and show that gradient descent---with respect to a fixed step size and an error function satisfying a certain property---defines a monoidal functor from a category of parametrised functions to this category of update rules. This provides a structural perspective on backpropagation, as well as a broad generalisation of neural networks.

The interdiffusion coefficients are estimated either following the Wagner's method expressed with respect to the composition (mol or atomic fraction) normalized variable after considering the molar volume variation or the den Broeder's method expressed with respect to the concentration (composition divided by the molar volume) normalized variable. On the other hand, the relations for estimation of the intrinsic diffusion coefficients of components as established by van Loo and integrated diffusion coefficients in a phase with narrow homogeneity range as established by Wagner are currently available with respect to the composition normalized variable only. In this study, we have first derived the relation proposed by den Broeder following the line of treatment proposed by Wagner. Further, the relations for estimation of the intrinsic diffusion coefficients of the components and integrated interdiffusion coefficient are established with respect to the concentration normalized variable, which were not available earlier. The veracity of these methods is examined based on the estimation of data in Ni-Pd, Ni-Al and Cu-Sn systems. Our analysis indicates that both the approaches are logically correct and there is small difference in the estimated data in these systems although a higher difference could be found in other systems. The integrated interdiffusion coefficients with respect to the concentration (or concentration normalized variable) can only be estimated considering the ideal molar volume variation. This might be drawback in certain practical systems.

Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines. However, discovering such insightful equations from data presents significant challenges due to the necessity of navigating extremely high-dimensional combinatorial and nonlinear hypothesis spaces. Traditional methods of equation discovery largely focus on extracting equations from data alone, often neglecting the rich domain-specific prior knowledge that scientists typically depend on. To bridge this gap, we introduce LLM-SR, a novel approach that leverages the extensive scientific knowledge and robust code generation capabilities of Large Language Models (LLMs) to discover scientific equations from data in an efficient manner. Specifically, LLM-SR treats equations as programs with mathematical operators and combines LLMs' scientific priors with evolutionary search over equation programs. The LLM iteratively proposes new equation skeletons, drawing from its physical understanding, which are then optimized against data to estimate skeleton parameters. We demonstrate LLM-SR's effectiveness across three diverse scientific domains, where it discovers physically accurate equations that provide significantly better fits to in-domain and out-of-domain data compared to the well-established equation discovery baselines

This course, intended for undergraduates familiar with elementary calculus and linear algebra, introduces the extension of differential calculus to functions on more general vector spaces, such as functions that take as input a matrix and return a matrix inverse or factorization, derivatives of ODE solutions, and even stochastic derivatives of random functions. It emphasizes practical computational applications, such as large-scale optimization and machine learning, where derivatives must be re-imagined in order to be propagated through complicated calculations. The class also discusses efficiency concerns leading to "adjoint" or "reverse-mode" differentiation (a.k.a. "backpropagation"), and gives a gentle introduction to modern automatic differentiation (AD) techniques.

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.

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their potential to leverage embedded scientific knowledge for hypothesis generation. However, evaluating the true discovery capabilities of these methods remains challenging, as existing benchmarks often rely on common equations that are susceptible to memorization by LLMs, leading to inflated performance metrics that do not reflect discovery. In this paper, we introduce LLM-SRBench, a comprehensive benchmark with 239 challenging problems across four scientific domains specifically designed to evaluate LLM-based scientific equation discovery methods while preventing trivial memorization. Our benchmark comprises two main categories: LSR-Transform, which transforms common physical models into less common mathematical representations to test reasoning beyond memorized forms, and LSR-Synth, which introduces synthetic, discovery-driven problems requiring data-driven reasoning. Through extensive evaluation of several state-of-the-art methods, using both open and closed LLMs, we find that the best-performing system so far achieves only 31.5% symbolic accuracy. These findings highlight the challenges of scientific equation discovery, positioning LLM-SRBench as a valuable resource for future research.

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.

Geometry problem solving is a well-recognized testbed for evaluating the high-level multi-modal reasoning capability of deep models. In most existing works, two main geometry problems: calculation and proving, are usually treated as two specific tasks, hindering a deep model to unify its reasoning capability on multiple math tasks. However, in essence, these two tasks have similar problem representations and overlapped math knowledge which can improve the understanding and reasoning ability of a deep model on both two tasks. Therefore, we construct a large-scale Unified Geometry problem benchmark, UniGeo, which contains 4,998 calculation problems and 9,543 proving problems. Each proving problem is annotated with a multi-step proof with reasons and mathematical expressions. The proof can be easily reformulated as a proving sequence that shares the same formats with the annotated program sequence for calculation problems. Naturally, we also present a unified multi-task Geometric Transformer framework, Geoformer, to tackle calculation and proving problems simultaneously in the form of sequence generation, which finally shows the reasoning ability can be improved on both two tasks by unifying formulation. Furthermore, we propose a Mathematical Expression Pretraining (MEP) method that aims to predict the mathematical expressions in the problem solution, thus improving the Geoformer model. Experiments on the UniGeo demonstrate that our proposed Geoformer obtains state-of-the-art performance by outperforming task-specific model NGS with over 5.6% and 3.2% accuracies on calculation and proving problems, respectively.

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

Portable Document Format (PDF) files are dominantly used for storing and disseminating scientific research, legal documents, and tax information. LaTeX is a popular application for creating PDF documents. Despite its advantages, LaTeX is not WYSWYG -- what you see is what you get, i.e., the LaTeX source and rendered PDF images look drastically different, especially for formulae and tables. This gap makes it hard to modify or export LaTeX sources for formulae and tables from PDF images, and existing work is still limited. First, prior work generates LaTeX sources in a single iteration and struggles with complex LaTeX formulae. Second, existing work mainly recognizes and extracts LaTeX sources for formulae; and is incapable or ineffective for tables. This paper proposes LATTE, the first iterative refinement framework for LaTeX recognition. Specifically, we propose delta-view as feedback, which compares and pinpoints the differences between a pair of rendered images of the extracted LaTeX source and the expected correct image. Such delta-view feedback enables our fault localization model to localize the faulty parts of the incorrect recognition more accurately and enables our LaTeX refinement model to repair the incorrect extraction more accurately. LATTE improves the LaTeX source extraction accuracy of both LaTeX formulae and tables, outperforming existing techniques as well as GPT-4V by at least 7.07% of exact match, with a success refinement rate of 46.08% (formula) and 25.51% (table).

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 .

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function F capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of F and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

This paper is an attempt to explain all the matrix calculus you need in order to understand the training of deep neural networks. We assume no math knowledge beyond what you learned in calculus 1, and provide links to help you refresh the necessary math where needed. Note that you do not need to understand this material before you start learning to train and use deep learning in practice; rather, this material is for those who are already familiar with the basics of neural networks, and wish to deepen their understanding of the underlying math. Don't worry if you get stuck at some point along the way---just go back and reread the previous section, and try writing down and working through some examples. And if you're still stuck, we're happy to answer your questions in the Theory category at forums.fast.ai. Note: There is a reference section at the end of the paper summarizing all the key matrix calculus rules and terminology discussed here. See related articles at http://explained.ai

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.

In this paper, a mathematical model is developed to describe the evolution of the concentration of compounds through a gas chromatography column. The model couples mass balances and kinetic equations for all components. Both single and multiple-component cases are considered with constant or variable velocity. Non-dimensionalisation indicates the small effect of diffusion. The system where diffusion is neglected is analysed using Laplace transforms. In the multiple-component case, it is demonstrated that the competition between the compounds is negligible and the equations may be decoupled. This reduces the problem to solving a single integral equation to determine the concentration profile for all components (since they are scaled versions of each other). For a given analyte, we then only two parameters need to be fitted to the data. To verify this approach, the full governing equations are also solved numerically using the finite difference method and a global adaptive quadrature method to integrate the Laplace transformation. Comparison with the Laplace solution verifies the high degree of accuracy of the simpler Laplace form. The Laplace solution is then verified against experimental data from BTEX chromatography. This novel method, which involves solving a single equation and fitting parameters in pairs for individual components, is highly efficient. It is significantly faster and simpler than the full numerical solution and avoids the computationally expensive methods that would normally be used to fit all curves at the same time.

We review Bohr's atomic model and its extension by Sommerfeld from a mathematical perspective of wave mechanics. The derivation of quantization rules and energy levels is revisited using semiclassical methods. Sommerfeld-type integrals are evaluated by elementary techniques, and connections with the Schr\"{o}dinger and Dirac equations are established. Historical developments and key transitions from classical to quantum theory are discussed to clarify the structure and significance of the old quantum mechanics.

Mathematical reasoning is an important capability of large language models~(LLMs) for real-world applications. To enhance this capability, existing work either collects large-scale math-related texts for pre-training, or relies on stronger LLMs (\eg GPT-4) to synthesize massive math problems. Both types of work generally lead to large costs in training or synthesis. To reduce the cost, based on open-source available texts, we propose an efficient way that trains a small LLM for math problem synthesis, to efficiently generate sufficient high-quality pre-training data. To achieve it, we create a dataset using GPT-4 to distill its data synthesis capability into the small LLM. Concretely, we craft a set of prompts based on human education stages to guide GPT-4, to synthesize problems covering diverse math knowledge and difficulty levels. Besides, we adopt the gradient-based influence estimation method to select the most valuable math-related texts. The both are fed into GPT-4 for creating the knowledge distillation dataset to train the small LLM. We leverage it to synthesize 6 million math problems for pre-training our JiuZhang3.0 model, which only needs to invoke GPT-4 API 9.3k times and pre-train on 4.6B data. Experimental results have shown that JiuZhang3.0 achieves state-of-the-art performance on several mathematical reasoning datasets, under both natural language reasoning and tool manipulation settings. Our code and data will be publicly released in https://github.com/RUCAIBox/JiuZhang3.0.

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. Throughout, we show how the analysis extends to AD methods for computing higher order derivatives using a Taylor approximation.

We examine the connections between deterministic, complete, and general global optimisation of continuous functions and a general concept of regression from the perspective of constructive type theory via the concept of 'searchability'. We see how the property of convergence of global optimisation is a straightforward consequence of searchability. The abstract setting allows us to generalise searchability and continuity to higher-order functions, so that we can formulate novel convergence criteria for regression, derived from the convergence of global optimisation. All the theory and the motivating examples are fully formalised in the proof assistant Agda.

Autoformalization is the process of automatically translating from natural language mathematics to formal specifications and proofs. A successful autoformalization system could advance the fields of formal verification, program synthesis, and artificial intelligence. While the long-term goal of autoformalization seemed elusive for a long time, we show large language models provide new prospects towards this goal. We make the surprising observation that LLMs can correctly translate a significant portion (25.3%) of mathematical competition problems perfectly to formal specifications in Isabelle/HOL. We demonstrate the usefulness of this process by improving a previously introduced neural theorem prover via training on these autoformalized theorems. Our methodology results in a new state-of-the-art result on the MiniF2F theorem proving benchmark, improving the proof rate from 29.6% to 35.2%.

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.

In order to properly train a machine learning model, data must be properly collected. To guarantee a proper data collection, verifying that the collected data set holds certain properties is a possible solution. For example, guaranteeing that the data set contains samples across the whole input space, or that the data set is balanced w.r.t. different classes. We present a formal approach for verifying a set of arbitrarily stated properties over a data set. The proposed approach relies on the transformation of the data set into a first order logic formula, which can be later verified w.r.t. the different properties also stated in the same logic. A prototype tool, which uses the z3 solver, has been developed; the prototype can take as an input a set of properties stated in a formal language and formally verify a given data set w.r.t. to the given set of properties. Preliminary experimental results show the feasibility and performance of the proposed approach, and furthermore the flexibility for expressing properties of interest.

This paper proposes a reinforcement learning framework that employs Proximal Policy Optimization (PPO) to dynamically optimize the weights of multiple large language model (LLM)-generated formulaic alphas for stock trading strategies. Formulaic alphas are mathematically defined trading signals derived from price, volume, sentiment, and other data. Although recent studies have shown that LLMs can generate diverse and effective alphas, a critical challenge lies in how to adaptively integrate them under varying market conditions. To address this gap, we leverage the deepseek-r1-distill-llama-70b model to generate fifty alphas for five major stocks: Apple, HSBC, Pepsi, Toyota, and Tencent, and then use PPO to adjust their weights in real time. Experimental results demonstrate that the PPO-optimized strategy achieves strong returns and high Sharpe ratios across most stocks, outperforming both an equal-weighted alpha portfolio and traditional benchmarks such as the Nikkei 225, S&P 500, and Hang Seng Index. The findings highlight the importance of reinforcement learning in the allocation of alpha weights and show the potential of combining LLM-generated signals with adaptive optimization for robust financial forecasting and trading.

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.

We present a vector-based method to balance chemical reactions. The algorithm builds candidates in a deterministic way, removes duplicates, and always prints coefficients in the lowest whole-number form. For redox cases, electrons and protons/hydroxide are treated explicitly, so both mass and charge are balanced. We also outline the basic principles of the vector formulation of stoichiometry, interpreting reactions as integer vectors in composition space, this geometric view supports compact visualizations of reagent-product interactions and helps surface distinct reaction families. The method enumerates valid balances for arbitrary user-specified species lists without special-case balancing rules or symbolic tricks, and it provides a clean foundation for developing new algorithmic variants (e.g., alternative objectives or constraints). On representative examples (neutralization, double displacement, decomposition, classical redox, small multicomponent sets) and a negative control, the method produced correct integer balances. When multiple balances exist, we report a canonical one - minimizing the total coefficient sum with a simple tie-breaker - without claiming global optimality beyond the solutions the search enumerates. The procedure applies per reaction and extends to reaction networks via consistent per-reaction application. We do not report runtimes, broader benchmarking and code/data release are planned.

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.

Proof assistants like Lean have revolutionized mathematical proof verification, ensuring high accuracy and reliability. Although large language models (LLMs) show promise in mathematical reasoning, their advancement in formal theorem proving is hindered by a lack of training data. To address this issue, we introduce an approach to generate extensive Lean 4 proof data derived from high-school and undergraduate-level mathematical competition problems. This approach involves translating natural language problems into formal statements, filtering out low-quality statements, and generating proofs to create synthetic data. After fine-tuning the DeepSeekMath 7B model on this synthetic dataset, which comprises 8 million formal statements with proofs, our model achieved whole-proof generation accuracies of 46.3% with 64 samples and 52% cumulatively on the Lean 4 miniF2F test, surpassing the baseline GPT-4 at 23.0% with 64 samples and a tree search reinforcement learning method at 41.0%. Additionally, our model successfully proved 5 out of 148 problems in the Lean 4 Formalized International Mathematical Olympiad (FIMO) benchmark, while GPT-4 failed to prove any. These results demonstrate the potential of leveraging large-scale synthetic data to enhance theorem-proving capabilities in LLMs. Both the synthetic dataset and the model will be made available to facilitate further research in this promising field.

We present a closed formula for the asymptotic density of states for a class of solvable superstring models on curved backgrounds. The result accounts for the effects of the curvature of the target space in a concise way.

Humans prove theorems by relying on substantial high-level reasoning and problem-specific insights. Proof assistants offer a formalism that resembles human mathematical reasoning, representing theorems in higher-order logic and proofs as high-level tactics. However, human experts have to construct proofs manually by entering tactics into the proof assistant. In this paper, we study the problem of using machine learning to automate the interaction with proof assistants. We construct CoqGym, a large-scale dataset and learning environment containing 71K human-written proofs from 123 projects developed with the Coq proof assistant. We develop ASTactic, a deep learning-based model that generates tactics as programs in the form of abstract syntax trees (ASTs). Experiments show that ASTactic trained on CoqGym can generate effective tactics and can be used to prove new theorems not previously provable by automated methods. Code is available at https://github.com/princeton-vl/CoqGym.

We prove the precise inversion of adjunction formula for finite linear group quotients of complete intersection varieties defined by semi-invariant equations. As an application, we prove the semi-continuity of minimal log discrepancies for them. These results extend the results in our first paper, where we prove the same results for complete intersection varieties defined by ``invariant equations".

We derive a simple and model-independent formula for the change in the generalization gap due to a gradient descent update. We then compare the change in the test error for stochastic gradient descent to the change in test error from an equivalent number of gradient descent updates and show explicitly that stochastic gradient descent acts to regularize generalization error by decorrelating nearby updates. These calculations depends on the details of the model only through the mean and covariance of the gradient distribution, which may be readily measured for particular models of interest. We discuss further improvements to these calculations and comment on possible implications for stochastic optimization.

Leveraging mathematical Large Language Models (LLMs) for proof generation is a fundamental topic in LLMs research. We argue that the ability of current LLMs to prove statements largely depends on whether they have encountered the relevant proof process during training. This reliance limits their deeper understanding of mathematical theorems and related concepts. Inspired by the pedagogical method of "proof by counterexamples" commonly used in human mathematics education, our work aims to enhance LLMs' ability to conduct mathematical reasoning and proof through counterexamples. Specifically, we manually create a high-quality, university-level mathematical benchmark, CounterMATH, which requires LLMs to prove mathematical statements by providing counterexamples, thereby assessing their grasp of mathematical concepts. Additionally, we develop a data engineering framework to automatically obtain training data for further model improvement. Extensive experiments and detailed analyses demonstrate that CounterMATH is challenging, indicating that LLMs, such as OpenAI o1, have insufficient counterexample-driven proof capabilities. Moreover, our exploration into model training reveals that strengthening LLMs' counterexample-driven conceptual reasoning abilities is crucial for improving their overall mathematical capabilities. We believe that our work offers new perspectives on the community of mathematical LLMs.

We introduce Goedel-Prover, an open-source large language model (LLM) that achieves the state-of-the-art (SOTA) performance in automated formal proof generation for mathematical problems. The key challenge in this field is the scarcity of formalized math statements and proofs, which we tackle in the following ways. We train statement formalizers to translate the natural language math problems from Numina into formal language (Lean 4), creating a dataset of 1.64 million formal statements. LLMs are used to check that the formal statements accurately preserve the content of the original natural language problems. We then iteratively build a large dataset of formal proofs by training a series of provers. Each prover succeeds in proving many statements that the previous ones could not, and these new proofs are added to the training set for the next prover. The final prover outperforms all existing open-source models in whole-proof generation. On the miniF2F benchmark, it achieves a 57.6% success rate (Pass@32), exceeding the previous best open-source model by 7.6%. On PutnamBench, Goedel-Prover successfully solves 7 problems (Pass@512), ranking first on the leaderboard. Furthermore, it generates 29.7K formal proofs for Lean Workbook problems, nearly doubling the 15.7K produced by earlier works.

Starting from the Mellin-Barnes integral representation of a Feynman integral depending on set of kinematic variables z_i, we derive a system of partial differential equations w.r.t.\ new variables x_j, which parameterize the differentiable constraints z_i=y_i(x_j). In our algorithm, the powers of propagators can be considered as arbitrary parameters. Our algorithm can also be used for the reduction of multiple hypergeometric sums to sums of lower dimension, finding special values and reduction equations of hypergeometric functions in a singular locus of continuous variables, or finding systems of partial differential equations for master integrals with arbitrary powers of propagators. As an illustration, we produce a differential equation of fourth order in one variable for the one-loop two-point Feynman diagram with two different masses and arbitrary propagator powers.

Type II orbital migration is a key process to regulate the mass and semimajor axis distribution of exoplanetary giant planets. The conventional formula of type II migration generally predicts too rapid inward migration to reconcile with the observed pile-up of gas giant beyond 1 au. Analyzing the recent high-resolution hydrodynamical simulations by Li et al. (2024) and Pan et al. (2025) that show robust outward migration of a gas accreting planet, we here clarify the condition for the outward migration to occur and derive a general semi-analytical formula that can be applied for broad range of planet mass and disk conditions. The striking outward migration is caused by azimuthal asymmetry in corotation torque exerted from cicumplanetary disk regions (connecting to horseshoe flow) that is produced by the planetary gas accretion, while the conventional inward migration model is based on radial asymmetry in the torques from the circumstellar protoplanetry disk. We found that the azimuthal asymmetry dominates and the migration is outward, when the gap depth defined by the surface density reduction factor of 1/(1+K') is in the range of 0.03 lesssim K' lesssim 50. Using simple models with the new formula, we demonstrate that the outward migration plays an important role in shaping the mass and semimajor axis distribution of gas giants. The concurrent dependence of planets' accretion rate and migration direction on their masses and disk properties potentially reproduces the observed pile-up of exoplanetary gas giants beyond 1 au, although more detailed planet population synthesis calculations are needed in the future.

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.

Premise selection is a crucial yet challenging step in mathematical formalization, especially for users with limited experience. Due to the lack of available formalization projects, existing approaches that leverage language models often suffer from data scarcity. In this work, we introduce an innovative method for training a premise retriever to support the formalization of mathematics. Our approach employs a BERT model to embed proof states and premises into a shared latent space. The retrieval model is trained within a contrastive learning framework and incorporates a domain-specific tokenizer along with a fine-grained similarity computation method. Experimental results show that our model is highly competitive compared to existing baselines, achieving strong performance while requiring fewer computational resources. Performance is further enhanced through the integration of a re-ranking module. To streamline the formalization process, we will release a search engine that enables users to query Mathlib theorems directly using proof states, significantly improving accessibility and efficiency. Codes are available at https://github.com/ruc-ai4math/Premise-Retrieval.

Verifiable formal languages like Lean have profoundly impacted mathematical reasoning, particularly through the use of large language models (LLMs) for automated reasoning. A significant challenge in training LLMs for these formal languages is the lack of parallel datasets that align natural language with formal language proofs. To address this challenge, this paper introduces a novel framework for translating the Mathlib4 corpus (a unified library of mathematics in formal language Lean 4) into natural language. Building upon this, we employ a dual augmentation strategy that combines tactic-based and informal-based approaches, leveraging the Lean-jixia system, a Lean 4 analyzer. We present the results of this pipeline on Mathlib4 as Herald (Hierarchy and Retrieval-based Translated Lean Dataset). We also propose the Herald Translator, which is fine-tuned on Herald. Herald translator achieves a 93.2% accuracy (Pass@128) on formalizing statements in the miniF2F-test and a 22.5% accuracy on our internal graduate-level textbook dataset, outperforming InternLM2-Math-Plus-7B (74.0% and 7.5%) and TheoremLlama (50.1% and 4.0%). Furthermore, we propose a section-level translation framework for real-world applications. As a direct application of Herald translator, we have successfully translated a template section in the Stack project, marking a notable progress in the automatic formalization of graduate-level mathematical literature. Our model, along with the datasets, will be open-sourced to the public soon.

Identifying subtle technical errors within complex scientific and technical documents, especially those requiring multimodal interpretation (e.g., formulas in images), presents a significant hurdle for Large Language Models (LLMs) whose inherent error-correction tendencies can mask inaccuracies. This exploratory proof-of-concept (PoC) study investigates structured LLM context conditioning, informed by Persistent Workflow Prompting (PWP) principles, as a methodological strategy to modulate this LLM behavior at inference time. The approach is designed to enhance the reliability of readily available, general-purpose LLMs (specifically Gemini 2.5 Pro and ChatGPT Plus o3) for precise validation tasks, crucially relying only on their standard chat interfaces without API access or model modifications. To explore this methodology, we focused on validating chemical formulas within a single, complex test paper with known textual and image-based errors. Several prompting strategies were evaluated: while basic prompts proved unreliable, an approach adapting PWP structures to rigorously condition the LLM's analytical mindset appeared to improve textual error identification with both models. Notably, this method also guided Gemini 2.5 Pro to repeatedly identify a subtle image-based formula error previously overlooked during manual review, a task where ChatGPT Plus o3 failed in our tests. These preliminary findings highlight specific LLM operational modes that impede detail-oriented validation and suggest that PWP-informed context conditioning offers a promising and highly accessible technique for developing more robust LLM-driven analytical workflows, particularly for tasks requiring meticulous error detection in scientific and technical documents. Extensive validation beyond this limited PoC is necessary to ascertain broader applicability.

We introduce a simple algorithm that efficiently computes tensor products of Pauli matrices. This is done by tailoring the calculations to this specific case, which allows to avoid unnecessary calculations. The strength of this strategy is benchmarked against state-of-the-art techniques, showing a remarkable acceleration. As a side product, we provide an optimized method for one key calculus in quantum simulations: the Pauli basis decomposition of Hamiltonians.

Recent advances in large language models (LLMs) for mathematical reasoning have largely focused on tasks with easily verifiable final answers; however, generating and verifying natural language math proofs remains an open challenge. We identify the absence of a reliable, fine-grained evaluator for LLM-generated math proofs as a critical gap. To address this, we propose a systematic methodology for developing and validating evaluators that assign fine-grained scores on a 0-7 scale to model-generated math proofs. To enable this study, we introduce ProofBench, the first expert-annotated dataset of fine-grained proof ratings, spanning 145 problems from six major math competitions (USAMO, IMO, Putnam, etc) and 435 LLM-generated solutions from Gemini-2.5-pro, o3, and DeepSeek-R1. %with expert gradings. Using ProofBench as a testbed, we systematically explore the evaluator design space across key axes: the backbone model, input context, instructions and evaluation workflow. Our analysis delivers ProofGrader, an evaluator that combines a strong reasoning backbone LM, rich context from reference solutions and marking schemes, and a simple ensembling method; it achieves a low Mean Absolute Error (MAE) of 0.926 against expert scores, significantly outperforming naive baselines. Finally, we demonstrate its practical utility in a best-of-n selection task: at n=16, ProofGrader achieves an average score of 4.14 (out of 7), closing 78% of the gap between a naive binary evaluator (2.48) and the human oracle (4.62), highlighting its potential to advance downstream proof generation.

Automatic differentiation (AD) in reverse mode (RAD) is a central component of deep learning and other uses of large-scale optimization. Commonly used RAD algorithms such as backpropagation, however, are complex and stateful, hindering deep understanding, improvement, and parallel execution. This paper develops a simple, generalized AD algorithm calculated from a simple, natural specification. The general algorithm is then specialized by varying the representation of derivatives. In particular, applying well-known constructions to a naive representation yields two RAD algorithms that are far simpler than previously known. In contrast to commonly used RAD implementations, the algorithms defined here involve no graphs, tapes, variables, partial derivatives, or mutation. They are inherently parallel-friendly, correct by construction, and usable directly from an existing programming language with no need for new data types or programming style, thanks to use of an AD-agnostic compiler plugin.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional 'corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation. Our code is available at https://github.com/martaskrt/fkc-diffusion.

The high cost of agentic workflows in formal mathematics hinders large-scale data synthesis, exacerbating the scarcity of open-source corpora. To address this, we introduce TheoremForge, a cost-effective formal data synthesis pipeline that decomposes the formalization process into five sub-tasks, which are statement formalization, proof generation, premise selection, proof correction and proof sketching. By implementing a Decoupled Extraction Strategy, the workflow recovers valid training signals from globally failed trajectories, effectively utilizing wasted computation. Experiments on a 2,000-problem benchmark demonstrate that TheoremForge achieves a Verified Rate of 12.6\%, surpassing the 8.6\% baseline, at an average cost of only \0.481 per successful trajectory using Gemini-3-Flash. Crucially, our strategy increases data yield by 1.6\times$ for proof generation compared to standard filtering. These results establish TheoremForge as a scalable framework for constructing a data flywheel to train future expert models. Our code is available https://github.com/timechess/TheoremForge{here}.

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.

The chemical reaction recommendation is to select proper reaction condition parameters for chemical reactions, which is pivotal to accelerating chemical science. With the rapid development of large language models (LLMs), there is growing interest in leveraging their reasoning and planning capabilities for reaction condition recommendation. Despite their success, existing methods rarely explain the rationale behind the recommended reaction conditions, limiting their utility in high-stakes scientific workflows. In this work, we propose ChemMAS, a multi-agent system that reframes condition prediction as an evidence-based reasoning task. ChemMAS decomposes the task into mechanistic grounding, multi-channel recall, constraint-aware agentic debate, and rationale aggregation. Each decision is backed by interpretable justifications grounded in chemical knowledge and retrieved precedents. Experiments show that ChemMAS achieves 20-35% gains over domain-specific baselines and outperforms general-purpose LLMs by 10-15% in Top-1 accuracy, while offering falsifiable, human-trustable rationales, which establishes a new paradigm for explainable AI in scientific discovery.

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.

There exist a number of well known multiplicative generating functions for series of Schur functions. Amongst these are some related to the dual Cauchy identity whose expansion coefficients are rather simple, and in some cases periodic in parameters specifying the Schur functions. More recently similar identities have been found involving expansions in terms of characters of the symplectic group. Here these results are extended and generalised to all classical Lie groups. This is done through the derivation of explicit recurrence relations for the expansion coefficients based on the action of the Weyl groups of both the symplectic and orthogonal groups. Copious results are tabulated in the form of explicit values of the expansion coefficients as functions of highest weight parameters. An alternative approach is then based on dual pairs of symplectic and/or orthogonal groups. A byproduct of this approach is that expansions in terms of spin orthogonal group characters can always be recovered from non-spin cases.

In this report, we present a series of math-specific large language models: Qwen2.5-Math and Qwen2.5-Math-Instruct-1.5B/7B/72B. The core innovation of the Qwen2.5 series lies in integrating the philosophy of self-improvement throughout the entire pipeline, from pre-training and post-training to inference: (1) During the pre-training phase, Qwen2-Math-Instruct is utilized to generate large-scale, high-quality mathematical data. (2) In the post-training phase, we develop a reward model (RM) by conducting massive sampling from Qwen2-Math-Instruct. This RM is then applied to the iterative evolution of data in supervised fine-tuning (SFT). With a stronger SFT model, it's possible to iteratively train and update the RM, which in turn guides the next round of SFT data iteration. On the final SFT model, we employ the ultimate RM for reinforcement learning, resulting in the Qwen2.5-Math-Instruct. (3) Furthermore, during the inference stage, the RM is used to guide sampling, optimizing the model's performance. Qwen2.5-Math-Instruct supports both Chinese and English, and possess advanced mathematical reasoning capabilities, including Chain-of-Thought (CoT) and Tool-Integrated Reasoning (TIR). We evaluate our models on 10 mathematics datasets in both English and Chinese, such as GSM8K, MATH, GaoKao, AMC23, and AIME24, covering a range of difficulties from grade school level to math competition problems.

Quantified formulas with Uninterpreted Functions (UFs) over non-linear real arithmetic pose fundamental challenges for Satisfiability Modulo Theories (SMT) solving. Traditional quantifier instantiation methods struggle because they lack semantic understanding of UF constraints, forcing them to search through unbounded solution spaces with limited guidance. We present AquaForte, a framework that leverages Large Language Models to provide semantic guidance for UF instantiation by generating instantiated candidates for function definitions that satisfy the constraints, thereby significantly reducing the search space and complexity for solvers. Our approach preprocesses formulas through constraint separation, uses structured prompts to extract mathematical reasoning from LLMs, and integrates the results with traditional SMT algorithms through adaptive instantiation. AquaForte maintains soundness through systematic validation: LLM-guided instantiations yielding SAT solve the original problem, while UNSAT results generate exclusion clauses for iterative refinement. Completeness is preserved by fallback to traditional solvers augmented with learned constraints. Experimental evaluation on SMT-COMP benchmarks demonstrates that AquaForte solves numerous instances where state-of-the-art solvers like Z3 and CVC5 timeout, with particular effectiveness on satisfiable formulas. Our work shows that LLMs can provide valuable mathematical intuition for symbolic reasoning, establishing a new paradigm for SMT constraint solving.

As a vital stage of automated rule checking (ARC), rule interpretation of regulatory texts requires considerable effort. However, interpreting regulatory clauses with implicit properties or complex computational logic is still challenging due to the lack of domain knowledge and limited expressibility of conventional logic representations. Thus, LLM-FuncMapper, an approach to identifying predefined functions needed to interpret various regulatory clauses based on the large language model (LLM), is proposed. First, by systematically analysis of building codes, a series of atomic functions are defined to capture shared computational logics of implicit properties and complex constraints, creating a database of common blocks for interpreting regulatory clauses. Then, a prompt template with the chain of thought is developed and further enhanced with a classification-based tuning strategy, to enable common LLMs for effective function identification. Finally, the proposed approach is validated with statistical analysis, experiments, and proof of concept. Statistical analysis reveals a long-tail distribution and high expressibility of the developed function database, with which almost 100% of computer-processible clauses can be interpreted and represented as computer-executable codes. Experiments show that LLM-FuncMapper achieve promising results in identifying relevant predefined functions for rule interpretation. Further proof of concept in automated rule interpretation also demonstrates the possibility of LLM-FuncMapper in interpreting complex regulatory clauses. To the best of our knowledge, this study is the first attempt to introduce LLM for understanding and interpreting complex regulatory clauses, which may shed light on further adoption of LLM in the construction domain.

Large language models have made significant progress in mathematical reasoning, which serves as an important testbed for AI and could impact scientific research if further advanced. By scaling reasoning with reinforcement learning that rewards correct final answers, LLMs have improved from poor performance to saturating quantitative reasoning competitions like AIME and HMMT in one year. However, this approach faces fundamental limitations. Pursuing higher final answer accuracy doesn't address a key issue: correct answers don't guarantee correct reasoning. Moreover, many mathematical tasks like theorem proving require rigorous step-by-step derivation rather than numerical answers, making final answer rewards inapplicable. To push the limits of deep reasoning, we believe it is necessary to verify the comprehensiveness and rigor of mathematical reasoning. Self-verification is particularly important for scaling test-time compute, especially for open problems without known solutions. Towards self-verifiable mathematical reasoning, we investigate how to train an accurate and faithful LLM-based verifier for theorem proving. We then train a proof generator using the verifier as the reward model, and incentivize the generator to identify and resolve as many issues as possible in their own proofs before finalizing them. To maintain the generation-verification gap as the generator becomes stronger, we propose to scale verification compute to automatically label new hard-to-verify proofs, creating training data to further improve the verifier. Our resulting model, DeepSeekMath-V2, demonstrates strong theorem-proving capabilities, achieving gold-level scores on IMO 2025 and CMO 2024 and a near-perfect 118/120 on Putnam 2024 with scaled test-time compute.

Theorem proving is a fundamental task in mathematics. With the advent of large language models (LLMs) and interactive theorem provers (ITPs) like Lean, there has been growing interest in integrating LLMs and ITPs to automate theorem proving. In this approach, the LLM generates proof steps (tactics), and the ITP checks the applicability of the tactics at the current goal. The two systems work together to complete the proof. In this paper, we introduce DS-Prover, a novel dynamic sampling method for theorem proving. This method dynamically determines the number of tactics to apply to expand the current goal, taking into account the remaining time compared to the total allocated time for proving a theorem. This makes the proof search process more efficient by adjusting the balance between exploration and exploitation as time passes. We also augment the training dataset by decomposing simplification and rewrite tactics with multiple premises into tactics with single premises. This gives the model more examples to learn from and helps it to predict the tactics with premises more accurately. We perform our experiments using the Mathlib dataset of the Lean theorem prover and report the performance on two standard datasets, MiniF2F and ProofNet. Our methods achieve significant performance gains on both datasets. We achieved a state-of-the-art performance (Pass@1) of 14.2% on the ProofNet dataset and a performance of 29.8% on MiniF2F, slightly surpassing the best-reported Pass@1 of 29.6% using Lean.

In this paper, we present a general framework for the derivation of interesting finite combinatorial sums starting with certain classes of polynomial identities. The sums that can be derived involve products of binomial coefficients and also harmonic numbers and squared harmonic numbers. We apply the framework to discuss combinatorial sums associated with some prominent polynomial identities from the recent past.

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.

The class of tree-adjoining languages can be characterized by various two-level formalisms, consisting of a context-free grammar (CFG) or pushdown automaton (PDA) controlling another CFG or PDA. These four formalisms are equivalent to tree-adjoining grammars (TAG), linear indexed grammars (LIG), pushdown-adjoining automata (PAA), and embedded pushdown automata (EPDA). We define semiring-weighted versions of the above two-level formalisms, and we design new algorithms for computing their stringsums (the weight of all derivations of a string) and allsums (the weight of all derivations). From these, we also immediately obtain stringsum and allsum algorithms for TAG, LIG, PAA, and EPDA. For LIG, our algorithm is more time-efficient by a factor of O(n|N|) (where n is the string length and |N| is the size of the nonterminal set) and more space-efficient by a factor of O(|Gamma|) (where |Gamma| is the size of the stack alphabet) than the algorithm of Vijay-Shanker and Weir (1989). For EPDA, our algorithm is both more space-efficient and time-efficient than the algorithm of Alonso et al. (2001) by factors of O(|Gamma|^2) and O(|Gamma|^3), respectively. Finally, we give the first PAA stringsum and allsum algorithms.

This textbook covers principles behind main modern deep reinforcement learning algorithms that achieved breakthrough results in many domains from game AI to robotics. All required theory is explained with proofs using unified notation and emphasize on the differences between different types of algorithms and the reasons why they are constructed the way they are.

We introduce Einstein Fields, a neural representation that is designed to compress computationally intensive four-dimensional numerical relativity simulations into compact implicit neural network weights. By modeling the metric, which is the core tensor field of general relativity, Einstein Fields enable the derivation of physical quantities via automatic differentiation. However, unlike conventional neural fields (e.g., signed distance, occupancy, or radiance fields), Einstein Fields are Neural Tensor Fields with the key difference that when encoding the spacetime geometry of general relativity into neural field representations, dynamics emerge naturally as a byproduct. Einstein Fields show remarkable potential, including continuum modeling of 4D spacetime, mesh-agnosticity, storage efficiency, derivative accuracy, and ease of use. We address these challenges across several canonical test beds of general relativity and release an open source JAX-based library, paving the way for more scalable and expressive approaches to numerical relativity. Code is made available at https://github.com/AndreiB137/EinFields

Large language models (LLMs) now perform strongly on many public math suites, yet frontier separation within mathematics increasingly suffers from ceiling effects. We present two complementary benchmarks: SKYLENAGE-ReasoningMATH, a 100-item, structure-aware diagnostic set with per-item metadata on length, numeric density, and symbolic complexity; and SKYLENAGE-MATH, a 150-item contest-style suite spanning four stages from high school to doctoral under a seven-subject taxonomy. We evaluate fifteen contemporary LLM variants under a single setup and analyze subject x model and grade x model performance. On the contest suite, the strongest model reaches 44% while the runner-up reaches 37%; accuracy declines from high school to doctoral, and top systems exhibit a doctoral-to-high-school retention near 79%. On the reasoning set, the best model attains 81% overall, and hardest-slice results reveal clear robustness gaps between leaders and the mid-tier. In summary, we release SKYLENAGE-ReasoningMATH and report aggregate results for SKYLENAGE-MATH; together, SKYLENAGE provides a hard, reasoning-centered and broadly covering math benchmark with calibrated difficulty and rich metadata, serving as a reference benchmark for future evaluations of mathematical reasoning.

Chain-of-Thought (CoT) reasoning has enabled Large Language Model (LLM) to achieve remarkable performance in various NLP tasks, including arithmetic problem-solving. However, this success does not generalize to small language model (sLM) like T5, due to their limited capacity and absence of emergent abilities associated with larger models. Recent works to enhance sLM through knowledge distillation have yielded some improvements but still face significant limitations, particularly high ambiguity from the variability in natural language expressions and substantial computational costs. In this paper, we investigate why sLM perform poorly on arithmetic reasoning tasks and hypothesize that natural language format variability introduces high ambiguity for these smaller models. Based on this hypothesis, we conduct experiments with equation-only format, which is a reasoning format that unifies arithmetic reasoning previously expressed in natural language formats into mathematical equations. Experiment results demonstrate that equation-only format effectively boosts the arithmetic reasoning abilities of sLM, especially in very small models like T5-Tiny.

Alpha factor mining is pivotal in quantitative investment for identifying predictive signals from complex financial data. While traditional formulaic alpha mining relies on human expertise, contemporary automated methods, such as those based on genetic programming or reinforcement learning, often struggle with search inefficiency or yield alpha factors that are difficult to interpret. This paper introduces a novel framework that integrates Large Language Models (LLMs) with Monte Carlo Tree Search (MCTS) to overcome these limitations. Our framework leverages the LLM's instruction-following and reasoning capability to iteratively generate and refine symbolic alpha formulas within an MCTS-driven exploration. A key innovation is the guidance of MCTS exploration by rich, quantitative feedback from financial backtesting of each candidate factor, enabling efficient navigation of the vast search space. Furthermore, a frequent subtree avoidance mechanism is introduced to enhance search diversity and prevent formulaic homogenization, further improving performance. Experimental results on real-world stock market data demonstrate that our LLM-based framework outperforms existing methods by mining alphas with superior predictive accuracy and trading performance. The resulting formulas are also more amenable to human interpretation, establishing a more effective and efficient paradigm for formulaic alpha mining.

Formal, automated theorem proving has long been viewed as a challenge to artificial intelligence. We introduce here a new approach to computer theorem proving, one that employs specialized language models for Lean4 proof generation combined with recursive decomposition of difficult theorems into simpler entailing propositions. These models are coordinated through a multi-agent architecture that orchestrates autoformalization (if required), proof generation, decomposition of difficult theorems into simpler entailing propositions, and recursive proof (and/or decomposition) of these propositions. Without decomposition, we achieve a 90.4% pass rate on miniF2F. With decomposition, this is significantly improved. A key technical contribution lies in our extension of the Kimina Lean Server with abstract syntax tree (AST) parsing capabilities to facilitate automated, recursive proof decomposition. The system is made available on PyPI as goedels-poetry (at https://pypi.org/project/goedels-poetry ), and the open-source implementation KellyJDavis/goedels-poetry (at https://github.com/KellyJDavis/goedels-poetry ) facilitates both adaptation to alternative language models and extension with custom functionality.

In the field of quantitative trading, it is common practice to transform raw historical stock data into indicative signals for the market trend. Such signals are called alpha factors. Alphas in formula forms are more interpretable and thus favored by practitioners concerned with risk. In practice, a set of formulaic alphas is often used together for better modeling precision, so we need to find synergistic formulaic alpha sets that work well together. However, most traditional alpha generators mine alphas one by one separately, overlooking the fact that the alphas would be combined later. In this paper, we propose a new alpha-mining framework that prioritizes mining a synergistic set of alphas, i.e., it directly uses the performance of the downstream combination model to optimize the alpha generator. Our framework also leverages the strong exploratory capabilities of reinforcement learning~(RL) to better explore the vast search space of formulaic alphas. The contribution to the combination models' performance is assigned to be the return used in the RL process, driving the alpha generator to find better alphas that improve upon the current set. Experimental evaluations on real-world stock market data demonstrate both the effectiveness and the efficiency of our framework for stock trend forecasting. The investment simulation results show that our framework is able to achieve higher returns compared to previous approaches.

Mathematical reasoning remains a significant challenge for Large Language Models (LLMs) due to hallucinations. When combined with formal proof assistants like Lean, these hallucinations can be eliminated through rigorous verification, making theorem proving reliable. However, even with formal verification, LLMs still struggle with long proofs and complex mathematical formalizations. While Lean with LLMs offers valuable assistance with retrieving lemmas, generating tactics, or even complete proofs, it lacks a crucial capability: providing a sense of proof progress. This limitation particularly impacts the overall development efficiency in large formalization projects. We introduce LeanProgress, a method that predicts the progress in the proof. Training and evaluating our models made on a large corpus of Lean proofs from Lean Workbook Plus and Mathlib4 and how many steps remain to complete it, we employ data preprocessing and balancing techniques to handle the skewed distribution of proof lengths. Our experiments show that LeanProgress achieves an overall prediction accuracy of 75.1\% in predicting the amount of progress and, hence, the remaining number of steps. When integrated into a best-first search framework using Reprover, our method shows a 3.8\% improvement on Mathlib4 compared to baseline performances of 41.2\%, particularly for longer proofs. These results demonstrate how proof progress prediction can enhance both automated and interactive theorem proving, enabling users to make more informed decisions about proof strategies.

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.

Automatic Differentiation (AD) has become a dominant technique in ML. AD frameworks have first been implemented for imperative languages using tapes. Meanwhile, functional implementations of AD have been developed, often based on dual numbers, which are close to the formal specification of differentiation and hence easier to prove correct. But these papers have focussed on correctness not efficiency. Recently, it was shown how an approach using dual numbers could be made efficient through the right optimizations. Optimizations are highly dependent on order, as one optimization can enable another. It can therefore be useful to have fine-grained control over the scheduling of optimizations. One method expresses compiler optimizations as rewrite rules, whose application can be combined and controlled using strategy languages. Previous work describes the use of term rewriting and strategies to generate high-performance code in a compiler for a functional language. In this work, we implement dual numbers AD in a functional array programming language using rewrite rules and strategy combinators for optimization. We aim to combine the elegance of differentiation using dual numbers with a succinct expression of the optimization schedule using a strategy language. We give preliminary evidence suggesting the viability of the approach on a micro-benchmark.

Large language models (LLMs) have shown increasing competence in solving mathematical reasoning problems. However, many open-source LLMs still struggle with errors in calculation and semantic understanding during intermediate reasoning steps. In this work, we introduce Prove, a simple yet effective framework that leverages translated programs derived from natural language solutions as a verification mechanism to filter out potentially incorrect reasoning paths before aggregating final answers. Unlike vanilla majority voting, our approach filters out solutions whose corresponding program output is inconsistent with the generated solution, aggregating only those that pass verification. We conducted extensive experiments using 13 open-source LLMs from various model families and sizes, ranging from 0.5B to 13B parameters, across eight mathematical benchmarks. Our results show that Prove consistently outperforms vanilla majority voting as a heuristic for solving mathematical reasoning tasks across all model sizes and datasets, achieving improvements of up to 18% on GSM8K and 8% on MATH-500. Our codes are available at https://github.com/declare-lab/prove.

Autoformalization, which translates natural language mathematics into machine-verifiable formal statements, is critical for using formal mathematical reasoning to solve math problems stated in natural language. While Large Language Models can generate syntactically correct formal statements, they often fail to preserve the original problem's semantic intent. This limitation arises from the LLM approaches' treating autoformalization as a simplistic translation task which lacks mechanisms for self-reflection and iterative refinement that human experts naturally employ. To address these issues, we propose ReForm, a Reflective Autoformalization method that tightly integrates semantic consistency evaluation into the autoformalization process. This enables the model to iteratively generate formal statements, assess its semantic fidelity, and self-correct identified errors through progressive refinement. To effectively train this reflective model, we introduce Prospective Bounded Sequence Optimization (PBSO), which employs different rewards at different sequence positions to ensure that the model develops both accurate autoformalization and correct semantic validations, preventing superficial critiques that would undermine the purpose of reflection. Extensive experiments across four autoformalization benchmarks demonstrate that ReForm achieves an average improvement of 17.2 percentage points over the strongest baselines. To further ensure evaluation reliability, we introduce ConsistencyCheck, a benchmark of 859 expert-annotated items that not only validates LLMs as judges but also reveals that autoformalization is inherently difficult: even human experts produce semantic errors in up to 38.5% of cases.

A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. There have been considerable attempts to address this problem, but given the exponentially large combinatorial space of synthesizable molecules, existing methods have shown limited coverage of the space and poor molecular optimization performance. To tackle these problems, we introduce ReaSyn, a generative framework for synthesizable projection where the model explores the neighborhood of given molecules in the synthesizable space by generating pathways that result in synthesizable analogs. To fully utilize the chemical knowledge contained in the synthetic pathways, we propose a novel perspective that views synthetic pathways akin to reasoning paths in large language models (LLMs). Specifically, inspired by chain-of-thought (CoT) reasoning in LLMs, we introduce the chain-of-reaction (CoR) notation that explicitly states reactants, reaction types, and intermediate products for each step in a pathway. With the CoR notation, ReaSyn can get dense supervision in every reaction step to explicitly learn chemical reaction rules during supervised training and perform step-by-step reasoning. In addition, to further enhance the reasoning capability of ReaSyn, we propose reinforcement learning (RL)-based finetuning and goal-directed test-time compute scaling tailored for synthesizable projection. ReaSyn achieves the highest reconstruction rate and pathway diversity in synthesizable molecule reconstruction and the highest optimization performance in synthesizable goal-directed molecular optimization, and significantly outperforms previous synthesizable projection methods in synthesizable hit expansion. These results highlight ReaSyn's superior ability to navigate combinatorially-large synthesizable chemical space.

The paper is a continuation of the study started in Yorzh1. Schrodinger operators on finite compact metric graphs are considered under the assumption that the matching conditions at the graph vertices are of delta type. Either an infinite series of trace formulae (provided that edge potentials are infinitely smooth) or a finite number of such formulae (in the cases of L_1 and C^M edge potentials) are obtained which link together two different quantum graphs under the assumption that their spectra coincide. Applications are given to the problem of recovering matching conditions for a quantum graph based on its spectrum.

Formal proofs are challenging to write even for experienced experts. Recent progress in Neural Theorem Proving (NTP) shows promise in expediting this process. However, the formal corpora available on the Internet are limited compared to the general text, posing a significant data scarcity challenge for NTP. To address this issue, this work proposes Alchemy, a general framework for data synthesis that constructs formal theorems through symbolic mutation. Specifically, for each candidate theorem in Mathlib, we identify all invocable theorems that can be used to rewrite or apply to it. Subsequently, we mutate the candidate theorem by replacing the corresponding term in the statement with its equivalent form or antecedent. As a result, our method increases the number of theorems in Mathlib by an order of magnitude, from 110k to 6M. Furthermore, we perform continual pretraining and supervised finetuning on this augmented corpus for large language models. Experimental results demonstrate the effectiveness of our approach, achieving a 5% absolute performance improvement on Leandojo benchmark. Additionally, our synthetic data achieve a 2.5% absolute performance gain on the out-of-distribution miniF2F benchmark. To provide further insights, we conduct a comprehensive analysis of synthetic data composition and the training paradigm, offering valuable guidance for developing a strong theorem prover.

Straight line equation y=mx with slope m, when singularly perturbed as ay^3+y=mx with a positive parameter a, results in S-shaped curves or S-curves on a real plane. As arightarrow 0, we get back y=mx which is a cumulative distribution function of a continuous uniform distribution that describes the occurrence of every event in an interval to be equally probable. As arightarrowinfty, the derivative of y has finite support only at y=0 resembling a degenerate distribution. Based on these arguments, in this work, we propose that these S-curves can represent maximum entropy uniform distribution to a zero entropy single value. We also argue that these S-curves are superposable as they are only parametrically nonlinear but fundamentally linear. So far, the superposed forms have been used to capture the patterns of natural systems such as nonlinear dynamics of biological growth and kinetics of enzyme reactions. Here, we attempt to use the S-curve and its superposed form as statistical models. We fit the models on a classical dataset containing flower measurements of iris plants and analyze their usefulness in pattern recognition. Based on these models, we claim that any non-uniform pattern can be represented as a singular perturbation to uniform distribution. However, our parametric estimation procedure have some limitations such as sensitivity to initial conditions depending on the data at hand.

Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for solving this problem for gradient-based guidance: namely, posterior guidance (i.e., guidance via projecting the current sample to the target distribution via the target prediction model) and end-to-end guidance (i.e., guidance by performing backpropagation throughout the entire ODE solve). In this work, we show that these two seemingly separate families can actually be unified by looking at posterior guidance as a greedy strategy of end-to-end guidance. We explore the theoretical connections between these two families and provide an in-depth theoretical of these two techniques relative to the continuous ideal gradients. Motivated by this analysis we then show a method for interpolating between these two families enabling a trade-off between compute and accuracy of the guidance gradients. We then validate this work on several inverse image problems and property-guided molecular generation.

Autoformalization, which translates natural language mathematics into formal statements to enable machine reasoning, faces fundamental challenges in the wild due to the multimodal nature of the physical world, where physics requires inferring hidden constraints (e.g., mass or energy) from visual elements. To address this, we propose MMFormalizer, which extends autoformalization beyond text by integrating adaptive grounding with entities from real-world mathematical and physical domains. MMFormalizer recursively constructs formal propositions from perceptually grounded primitives through recursive grounding and axiom composition, with adaptive recursive termination ensuring that every abstraction is supported by visual evidence and anchored in dimensional or axiomatic grounding. We evaluate MMFormalizer on a new benchmark, PhyX-AF, comprising 115 curated samples from MathVerse, PhyX, Synthetic Geometry, and Analytic Geometry, covering diverse multimodal autoformalization tasks. Results show that frontier models such as GPT-5 and Gemini-3-Pro achieve the highest compile and semantic accuracy, with GPT-5 excelling in physical reasoning, while geometry remains the most challenging domain. Overall, MMFormalizer provides a scalable framework for unified multimodal autoformalization, bridging perception and formal reasoning. To the best of our knowledge, this is the first multimodal autoformalization method capable of handling classical mechanics (derived from the Hamiltonian), as well as relativity, quantum mechanics, and thermodynamics. More details are available on our project page: MMFormalizer.github.io

Recent advances in large language models show strong promise for formal reasoning. However, most LLM-based theorem provers have long been constrained by the need for expert-written formal statements as inputs, limiting their applicability to real-world problems expressed in natural language. We tackle this gap with Mathesis, the first end-to-end theorem proving pipeline processing informal problem statements. It contributes Mathesis-Autoformalizer, the first autoformalizer using reinforcement learning to enhance the formalization ability of natural language problems, aided by our novel LeanScorer framework for nuanced formalization quality assessment. It also proposes a Mathesis-Prover, which generates formal proofs from the formalized statements. To evaluate the real-world applicability of end-to-end formal theorem proving, we introduce Gaokao-Formal, a benchmark of 488 complex problems from China's national college entrance exam. Our approach is carefully designed, with a thorough study of each component. Experiments demonstrate Mathesis's effectiveness, with the autoformalizer outperforming the best baseline by 22% in pass-rate on Gaokao-Formal. The full system surpasses other model combinations, achieving 64% accuracy on MiniF2F with pass@32 and a state-of-the-art 18% on Gaokao-Formal.

Assurance cases can be used to argue for the safety of products in safety engineering. In safety-critical areas, the construction of assurance cases is indispensable. Trustworthiness Derivation Trees (TDTs) enhance assurance cases by incorporating formal methods, rendering it possible for automatic reasoning about assurance cases. We present Trustworthiness Derivation Tree Analyzer (Trusta), a desktop application designed to automatically construct and verify TDTs. The tool has a built-in Prolog interpreter in its backend, and is supported by the constraint solvers Z3 and MONA. Therefore, it can solve constraints about logical formulas involving arithmetic, sets, Horn clauses etc. Trusta also utilizes large language models to make the creation and evaluation of assurance cases more convenient. It allows for interactive human examination and modification. We evaluated top language models like ChatGPT-3.5, ChatGPT-4, and PaLM 2 for generating assurance cases. Our tests showed a 50%-80% similarity between machine-generated and human-created cases. In addition, Trusta can extract formal constraints from text in natural languages, facilitating an easier interpretation and validation process. This extraction is subject to human review and correction, blending the best of automated efficiency with human insight. To our knowledge, this marks the first integration of large language models in automatic creating and reasoning about assurance cases, bringing a novel approach to a traditional challenge. Through several industrial case studies, Trusta has proven to quickly find some subtle issues that are typically missed in manual inspection, demonstrating its practical value in enhancing the assurance case development process.

Large vision language models exhibit notable limitations on Geometry Problem Solving (GPS) because of their unreliable diagram interpretation and pure natural-language reasoning. A recent line of work mitigates this by using symbolic solvers: the model directly generates a formal program that a geometry solver can execute. However, this direct program generation lacks intermediate reasoning, making the decision process opaque and prone to errors. In this work, we explore a new approach that integrates Chain-of-Thought (CoT) with formal language. The model interleaves natural language reasoning with incremental emission of solver-executable code, producing a hybrid reasoning trace in which critical derivations are expressed in formal language. To teach this behavior at scale, we combine (1) supervised fine-tuning on an 11K newly developed synthetic dataset with interleaved natural language reasoning and automatic formalization, and (2) solver-in-the-loop reinforcement learning that jointly optimizes both the CoT narrative and the resulting program through outcome-based rewards. Built on Qwen2.5-VL-7B, our new model, named GF-Reasoner, achieves up to 15% accuracy improvements on standard GPS benchmarks, surpassing both 7B-scale peers and the much larger model Qwen2.5-VL-72B. By exploiting high-order geometric knowledge and offloading symbolic computation to the solver, the generated reasoning traces are noticeably shorter and cleaner. Furthermore, we present a comprehensive analysis of method design choices (e.g., reasoning paradigms, data synthesis, training epochs, etc.), providing actionable insights for future research.

The left-corner transformation (Rosenkrantz and Lewis, 1970) is used to remove left recursion from context-free grammars, which is an important step towards making the grammar parsable top-down with simple techniques. This paper generalizes prior left-corner transformations to support semiring-weighted production rules and to provide finer-grained control over which left corners may be moved. Our generalized left-corner transformation (GLCT) arose from unifying the left-corner transformation and speculation transformation (Eisner and Blatz, 2007), originally for logic programming. Our new transformation and speculation define equivalent weighted languages. Yet, their derivation trees are structurally different in an important way: GLCT replaces left recursion with right recursion, and speculation does not. We also provide several technical results regarding the formal relationships between the outputs of GLCT, speculation, and the original grammar. Lastly, we empirically investigate the efficiency of GLCT for left-recursion elimination from grammars of nine languages.