Daily Papers

The emergence of pre-trained AI systems with powerful capabilities across a diverse and ever-increasing set of complex domains has raised a critical challenge for AI safety as tasks can become too complicated for humans to judge directly. Irving et al. [2018] proposed a debate method in this direction with the goal of pitting the power of such AI models against each other until the problem of identifying (mis)-alignment is broken down into a manageable subtask. While the promise of this approach is clear, the original framework was based on the assumption that the honest strategy is able to simulate deterministic AI systems for an exponential number of steps, limiting its applicability. In this paper, we show how to address these challenges by designing a new set of debate protocols where the honest strategy can always succeed using a simulation of a polynomial number of steps, whilst being able to verify the alignment of stochastic AI systems, even when the dishonest strategy is allowed to use exponentially many simulation steps.

This paper provides a non-asymptotic analysis of linear stochastic approximation (LSA) algorithms with fixed stepsize. This family of methods arises in many machine learning tasks and is used to obtain approximate solutions of a linear system Atheta = b for which A and b can only be accessed through random estimates {({bf A}_n, {bf b}_n): n in N^*}. Our analysis is based on new results regarding moments and high probability bounds for products of matrices which are shown to be tight. We derive high probability bounds on the performance of LSA under weaker conditions on the sequence {({bf A}_n, {bf b}_n): n in N^*} than previous works. However, in contrast, we establish polynomial concentration bounds with order depending on the stepsize. We show that our conclusions cannot be improved without additional assumptions on the sequence of random matrices {{bf A}_n: n in N^*}, and in particular that no Gaussian or exponential high probability bounds can hold. Finally, we pay a particular attention to establishing bounds with sharp order with respect to the number of iterations and the stepsize and whose leading terms contain the covariance matrices appearing in the central limit theorems.

Seminal research in the field of graph neural networks (GNNs) has revealed a direct correspondence between the expressive capabilities of GNNs and the k-dimensional Weisfeiler-Leman (kWL) test, a widely-recognized method for verifying graph isomorphism. This connection has reignited interest in comprehending the specific graph properties effectively distinguishable by the kWL test. A central focus of research in this field revolves around determining the least dimensionality k, for which kWL can discern graphs with different number of occurrences of a pattern graph P. We refer to such a least k as the WL-dimension of this pattern counting problem. This inquiry traditionally delves into two distinct counting problems related to patterns: subgraph counting and induced subgraph counting. Intriguingly, despite their initial appearance as separate challenges with seemingly divergent approaches, both of these problems are interconnected components of a more comprehensive problem: "graph motif parameters". In this paper, we provide a precise characterization of the WL-dimension of labeled graph motif parameters. As specific instances of this result, we obtain characterizations of the WL-dimension of the subgraph counting and induced subgraph counting problem for every labeled pattern P. We additionally demonstrate that in cases where the kWL test distinguishes between graphs with varying occurrences of a pattern P, the exact number of occurrences of P can be computed uniformly using only local information of the last layer of a corresponding GNN. We finally delve into the challenge of recognizing the WL-dimension of various graph parameters. We give a polynomial time algorithm for determining the WL-dimension of the subgraph counting problem for given pattern P, answering an open question from previous work.

We study the problem of learning hierarchical polynomials over the standard Gaussian distribution with three-layer neural networks. We specifically consider target functions of the form h = g circ p where p : R^d rightarrow R is a degree k polynomial and g: R rightarrow R is a degree q polynomial. This function class generalizes the single-index model, which corresponds to k=1, and is a natural class of functions possessing an underlying hierarchical structure. Our main result shows that for a large subclass of degree k polynomials p, a three-layer neural network trained via layerwise gradient descent on the square loss learns the target h up to vanishing test error in mathcal{O}(d^k) samples and polynomial time. This is a strict improvement over kernel methods, which require widetilde Theta(d^{kq}) samples, as well as existing guarantees for two-layer networks, which require the target function to be low-rank. Our result also generalizes prior works on three-layer neural networks, which were restricted to the case of p being a quadratic. When p is indeed a quadratic, we achieve the information-theoretically optimal sample complexity mathcal{O}(d^2), which is an improvement over prior work~nichani2023provable requiring a sample size of widetildeTheta(d^4). Our proof proceeds by showing that during the initial stage of training the network performs feature learning to recover the feature p with mathcal{O}(d^k) samples. This work demonstrates the ability of three-layer neural networks to learn complex features and as a result, learn a broad class of hierarchical functions.

For any given dimension d, all reflexive d-polytopes can be found (in principle) as subpolytopes of a number of maximal polyhedra that are defined in terms of (d+1)-tuples of integers (weights), or combinations of k-tuples of weights with k<d+1. We present the results of a complete classification of sextuples of weights pertaining to the construction of all reflexive polytopes in five dimensions. We find 322 383 760 930 such weight systems. 185 269 499 015 of them give rise directly to reflexive polytopes and thereby to mirror pairs of Calabi-Yau fourfolds. These lead to 532 600 483 distinct sets of Hodge numbers.

This is the third paper of the CayleyPy project applying artificial intelligence to problems in group theory. We announce the first public release of CayleyPy, an open source Python library for computations with Cayley and Schreier graphs. Compared with systems such as GAP and Sage, CayleyPy handles much larger graphs and performs several orders of magnitude faster. Using CayleyPy we obtained about 200 new conjectures on Cayley and Schreier graphs, focused on diameters and growth. For many Cayley graphs of symmetric groups Sn we observe quasi polynomial diameter formulas: a small set of quadratic or linear polynomials indexed by n mod s. We conjecture that this is a general phenomenon, giving efficient diameter computation despite the problem being NP hard. We propose a refinement of the Babai type conjecture on diameters of Sn: n^2/2 + 4n upper bounds in the undirected case, compared to previous O(n^2) bounds. We also provide explicit generator families, related to involutions in a square with whiskers pattern, conjectured to maximize the diameter; search confirms this for all n up to 15. We further conjecture an answer to a question posed by V M Glushkov in 1968 on directed Cayley graphs generated by a cyclic shift and a transposition. For nilpotent groups we conjecture an improvement of J S Ellenberg's results on upper unitriangular matrices over Z/pZ, showing linear dependence of diameter on p. Moreover. Some conjectures are LLM friendly, naturally stated as sorting problems verifiable by algorithms or Python code. To benchmark path finding we created more than 10 Kaggle datasets. CayleyPy works with arbitrary permutation or matrix groups and includes over 100 predefined generators. Our growth computation code outperforms GAP and Sage up to 1000 times in speed and size.

Polynomial filters, a kind of Graph Neural Networks, typically use a predetermined polynomial basis and learn the coefficients from the training data. It has been observed that the effectiveness of the model is highly dependent on the property of the polynomial basis. Consequently, two natural and fundamental questions arise: Can we learn a suitable polynomial basis from the training data? Can we determine the optimal polynomial basis for a given graph and node features? In this paper, we propose two spectral GNN models that provide positive answers to the questions posed above. First, inspired by Favard's Theorem, we propose the FavardGNN model, which learns a polynomial basis from the space of all possible orthonormal bases. Second, we examine the supposedly unsolvable definition of optimal polynomial basis from Wang & Zhang (2022) and propose a simple model, OptBasisGNN, which computes the optimal basis for a given graph structure and graph signal. Extensive experiments are conducted to demonstrate the effectiveness of our proposed models.

The Markov numbers are positive integers appearing as solutions to the Diophantine equation x^2 + y^2 + z^2 = 3xyz. These numbers are very well-studied and have many combinatorial properties, as well as being the source of the long-standing unicity conjecture. In 2018, Canakc{\i} and Schiffler showed that the Markov number m_{a{b}} is the number of perfect matchings of a certain snake graph corresponding to the Christoffel path from (0,0) to (a,b). Based on this correspondence, Schiffler in 2023 introduced two orderings on lattice paths. For any path omega, associate a snake graph G(omega) and a continued fraction g(omega). The ordering <_M is given by the number of perfect matchings on G(omega), and the ordering <_L is given by the Lagrange number of g(omega). In this work, we settle two conjectures of Schiffler. First, we show that the path omega(a,b) = RRcdots R UU cdots U is the unique maximum over all lattice paths from (0,0) to (a,b) with respect to both orderings <_M and <_L. We then use this result to prove that sup L(omega) over all lattice paths is exactly 1+sqrt5.

In this paper we provide a new method to certify that a nearby polynomial system has a singular isolated root with a prescribed multiplicity structure. More precisely, given a polynomial system f =(f_1, ldots, f_N)in C[x_1, ldots, x_n]^N, we present a Newton iteration on an extended deflated system that locally converges, under regularity conditions, to a small deformation of f such that this deformed system has an exact singular root. The iteration simultaneously converges to the coordinates of the singular root and the coefficients of the so called inverse system that describes the multiplicity structure at the root. We use $alpha$-theory test to certify the quadratic convergence, and togive bounds on the size of the deformation and on the approximation error. The approach relies on an analysis of the punctual Hilbert scheme, for which we provide a new description. We show in particular that some of its strata can be rationally parametrized and exploit these parametrizations in the certification. We show in numerical experimentation how the approximate inverse system can be computed as a starting point of the Newton iterations and the fast numerical convergence to the singular root with its multiplicity structure, certified by our criteria.

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

This paper investigates the global convergence of stepsized Newton methods for convex functions. We propose several simple stepsize schedules with fast global convergence guarantees, up to O (k^{-3}), nearly matching lower complexity bounds Omega (k^{-3.5}) of second-order methods. For cases with multiple plausible smoothness parameterizations or an unknown smoothness constant, we introduce a stepsize backtracking procedure that ensures convergence as if the optimal smoothness parameters were known.

Large Language Models (LLMs) have achieved human-level proficiency across diverse tasks, but their ability to perform rigorous mathematical problem solving remains an open challenge. In this work, we investigate a fundamental yet computationally intractable problem: determining whether a given multivariate polynomial is nonnegative. This problem, closely related to Hilbert's Seventeenth Problem, plays a crucial role in global polynomial optimization and has applications in various fields. First, we introduce SoS-1K, a meticulously curated dataset of approximately 1,000 polynomials, along with expert-designed reasoning instructions based on five progressively challenging criteria. Evaluating multiple state-of-the-art LLMs, we find that without structured guidance, all models perform only slightly above the random guess baseline 50%. However, high-quality reasoning instructions significantly improve accuracy, boosting performance up to 81%. Furthermore, our 7B model, SoS-7B, fine-tuned on SoS-1K for just 4 hours, outperforms the 671B DeepSeek-V3 and GPT-4o-mini in accuracy while only requiring 1.8% and 5% of the computation time needed for letters, respectively. Our findings highlight the potential of LLMs to push the boundaries of mathematical reasoning and tackle NP-hard problems.

The Honeymoon Oberwolfach Problem HOP(2m_1,2m_2,ldots,2m_t) asks the following question. Given n=m_1+m_2+ldots +m_t newlywed couples at a conference and t round tables of sizes 2m_1,2m_2,ldots,2m_t, is it possible to arrange the 2n participants at these tables for 2n-2 meals so that each participant sits next to their spouse at every meal, and sits next to every other participant exactly once? A solution to HOP(2m_1,2m_2,ldots,2m_t) is a decomposition of K_{2n}+(2n-3)I, the complete graph K_{2n} with 2n-3 additional copies of a fixed 1-factor I, into 2-factors, each consisting of disjoint I-alternating cycles of lengths 2m_1,2m_2,ldots,2m_t. The Honeymoon Oberwolfach Problem was introduced in a 2019 paper by Lepine and Sajna. The authors conjectured that HOP(2m_1,2m_2,ldots, 2m_t) has a solution whenever the obvious necessary conditions are satisfied, and proved the conjecture for several large cases, including the uniform cycle length case m_1=ldots=m_t, and the small cases with n le 9. In the present paper, we extend the latter result to all cases with n le 20 using a computer search.

In machine learning applications, it is well known that carefully designed learning rate (step size) schedules can significantly improve the convergence of commonly used first-order optimization algorithms. Therefore how to set step size adaptively becomes an important research question. A popular and effective method is the Polyak step size, which sets step size adaptively for gradient descent or stochastic gradient descent without the need to estimate the smoothness parameter of the objective function. However, there has not been a principled way to generalize the Polyak step size for algorithms with momentum accelerations. This paper presents a general framework to set the learning rate adaptively for first-order optimization methods with momentum, motivated by the derivation of Polyak step size. It is shown that the resulting methods are much less sensitive to the choice of momentum parameter and may avoid the oscillation of the heavy-ball method on ill-conditioned problems. These adaptive step sizes are further extended to the stochastic settings, which are attractive choices for stochastic gradient descent with momentum. Our methods are demonstrated to be more effective for stochastic gradient methods than prior adaptive step size algorithms in large-scale machine learning tasks.

An established measure of the expressive power of a given ReLU neural network is the number of linear regions into which it partitions the input space. There exist many different, non-equivalent definitions of what a linear region actually is. We systematically assess which papers use which definitions and discuss how they relate to each other. We then analyze the computational complexity of counting the number of such regions for the various definitions. Generally, this turns out to be an intractable problem. We prove NP- and #P-hardness results already for networks with one hidden layer and strong hardness of approximation results for two or more hidden layers. Finally, on the algorithmic side, we demonstrate that counting linear regions can at least be achieved in polynomial space for some common definitions.

Gross, Mansour, and Tucker introduced the partial-duality polynomial of a ribbon graph [Distributions, European J. Combin. 86, 1--20, 2020], the generating function enumerating partial duals by the Euler genus. Chmutov and Vignes-Tourneret wondered if this polynomial and its conjectured properties would hold for general delta-matroids, which are combinatorial abstractions of ribbon graphs. Yan and Jin contributed to this inquiry by identifying a subset of delta-matroids-specifically, even normal binary ones-whose twist polynomials are characterized by a singular term. Building upon this foundation, the current paper expands the scope of the investigation to encompass even non-binary delta-matroids, revealing that none of them have width-changing twists.

Reverse derivative categories (RDCs) have recently been shown to be a suitable semantic framework for studying machine learning algorithms. Whereas emphasis has been put on training methodologies, less attention has been devoted to particular model classes: the concrete categories whose morphisms represent machine learning models. In this paper we study presentations by generators and equations of classes of RDCs. In particular, we propose polynomial circuits as a suitable machine learning model. We give an axiomatisation for these circuits and prove a functional completeness result. Finally, we discuss the use of polynomial circuits over specific semirings to perform machine learning with discrete values.

We study the realizability of simplicial complexes with a given pair of integer sequences, representing the node degree distribution and the facet size distribution, respectively. While the s-uniform variant of the problem is NP-complete when s geq 3, we identify two populations of input sequences, most of which can be solved in polynomial time using a recursive algorithm that we contribute. Combining with a sampler for the simplicial configuration model [J.-G. Young et al., Phys. Rev. E 96, 032312 (2017)], we facilitate the efficient sampling of simplicial ensembles from arbitrary degree and size distributions. We find that, contrary to expectations based on dyadic networks, increasing the nodes' degrees reduces the number of loops in simplicial complexes. Our work unveils a fundamental constraint on the degree-size sequences and sheds light on further analysis of higher-order phenomena based on local structures.

The k-Coloring problem on hereditary graph classes has been a deeply researched problem over the last decade. A hereditary graph class is characterized by a (possibly infinite) list of minimal forbidden induced subgraphs. We say that a graph is (H_1,H_2,ldots)-free if it does not contain any of H_1,H_2,ldots as induced subgraphs. The complexity landscape of the problem remains unclear even when restricting to the case k=4 and classes defined by a few forbidden induced subgraphs. While the case of only one forbidden induced subgraph has been completely resolved lately, the complexity when considering two forbidden induced subgraphs still has a couple of unknown cases. In particular, 4-Coloring on (P_6,C_3)-free graphs is polynomial while it is NP-hard on (P_{22},C_3)-free graphs. We provide a reduction showing NP-completeness of 4-Coloring on (P_t,C_3)-free graphs for 19leq tleq 21, thus constricting the gap of cases whose complexity remains unknown. Our proof includes a computer search ensuring that the graph family obtained through the reduction is indeed P_{19}-free.

This paper studies the fundamental limits of reinforcement learning (RL) in the challenging partially observable setting. While it is well-established that learning in Partially Observable Markov Decision Processes (POMDPs) requires exponentially many samples in the worst case, a surge of recent work shows that polynomial sample complexities are achievable under the revealing condition -- A natural condition that requires the observables to reveal some information about the unobserved latent states. However, the fundamental limits for learning in revealing POMDPs are much less understood, with existing lower bounds being rather preliminary and having substantial gaps from the current best upper bounds. We establish strong PAC and regret lower bounds for learning in revealing POMDPs. Our lower bounds scale polynomially in all relevant problem parameters in a multiplicative fashion, and achieve significantly smaller gaps against the current best upper bounds, providing a solid starting point for future studies. In particular, for multi-step revealing POMDPs, we show that (1) the latent state-space dependence is at least Omega(S^{1.5}) in the PAC sample complexity, which is notably harder than the Theta(S) scaling for fully-observable MDPs; (2) Any polynomial sublinear regret is at least Omega(T^{2/3}), suggesting its fundamental difference from the single-step case where O(T) regret is achievable. Technically, our hard instance construction adapts techniques in distribution testing, which is new to the RL literature and may be of independent interest.

The higher Bruhat orders B(n,k) were introduced by Manin-Schechtman to study discriminantal hyperplane arrangements and subsequently studied by Ziegler, who connected B(n,k) to oriented matroids. In this paper, we consider the enumeration of B(n,k) and improve upon Balko's asymptotic lower and upper bounds on |B(n,k)| by a factor exponential in k. A proof of Ziegler's formula for |B(n,n-3)| is given and a bijection between a certain subset of B(n,n-4) and totally symmetric plane partitions is proved. Central to our proofs are deletion and contraction operations for the higher Bruhat orders, defined in analogy with matroids. Dual higher Bruhat orders are also introduced, and we construct isomorphisms relating the higher Bruhat orders and their duals. Additionally, weaving functions are introduced to generalize Felsner's encoding of elements in B(n,2) to all higher Bruhat orders B(n,k).

A common pipeline in learning-based control is to iteratively estimate a model of system dynamics, and apply a trajectory optimization algorithm - e.g.~iLQR - on the learned model to minimize a target cost. This paper conducts a rigorous analysis of a simplified variant of this strategy for general nonlinear systems. We analyze an algorithm which iterates between estimating local linear models of nonlinear system dynamics and performing iLQR-like policy updates. We demonstrate that this algorithm attains sample complexity polynomial in relevant problem parameters, and, by synthesizing locally stabilizing gains, overcomes exponential dependence in problem horizon. Experimental results validate the performance of our algorithm, and compare to natural deep-learning baselines.

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.

With recent dramatic increases in AI system capabilities, there has been growing interest in utilizing machine learning for reasoning-heavy, quantitative tasks, particularly mathematics. While there are many resources capturing mathematics at the high-school, undergraduate, and graduate level, there are far fewer resources available that align with the level of difficulty and open endedness encountered by professional mathematicians working on open problems. To address this, we introduce a new collection of datasets, the Algebraic Combinatorics Dataset Repository (ACD Repo), representing either foundational results or open problems in algebraic combinatorics, a subfield of mathematics that studies discrete structures arising from abstract algebra. Further differentiating our dataset collection is the fact that it aims at the conjecturing process. Each dataset includes an open-ended research-level question and a large collection of examples (up to 10M in some cases) from which conjectures should be generated. We describe all nine datasets, the different ways machine learning models can be applied to them (e.g., training with narrow models followed by interpretability analysis or program synthesis with LLMs), and discuss some of the challenges involved in designing datasets like these.

Linear structural equation models are multivariate statistical models encoded by mixed graphs. In particular, the set of covariance matrices for distributions belonging to a linear structural equation model for a fixed mixed graph G=(V, D,B) is parameterized by a rational function with parameters for each vertex and edge in G. This rational parametrization naturally allows for the study of these models from an algebraic and combinatorial point of view. Indeed, this point of view has led to a collection of results in the literature, mainly focusing on questions related to identifiability and determining relationships between covariances (i.e., finding polynomials in the Gaussian vanishing ideal). So far, a large proportion of these results has focused on the case when D, the directed part of the mixed graph G, is acyclic. This is due to the fact that in the acyclic case, the parametrization becomes polynomial and there is a description of the entries of the covariance matrices in terms of a finite sum. We move beyond the acyclic case and give a closed form expression for the entries of the covariance matrices in terms of the one-connections in a graph obtained from D through some small operations. This closed form expression then allows us to show that if G is simple, then the parametrization map is generically finite-to-one. Finally, having a closed form expression for the covariance matrices allows for the development of an algorithm for systematically exploring possible polynomials in the Gaussian vanishing ideal.

We begin the study of list-decodable linear regression using batches. In this setting only an alpha in (0,1] fraction of the batches are genuine. Each genuine batch contains ge n i.i.d. samples from a common unknown distribution and the remaining batches may contain arbitrary or even adversarial samples. We derive a polynomial time algorithm that for any nge tilde Omega(1/alpha) returns a list of size mathcal O(1/alpha^2) such that one of the items in the list is close to the true regression parameter. The algorithm requires only mathcal{O}(d/alpha^2) genuine batches and works under fairly general assumptions on the distribution. The results demonstrate the utility of batch structure, which allows for the first polynomial time algorithm for list-decodable regression, which may be impossible for the non-batch setting, as suggested by a recent SQ lower bound diakonikolas2021statistical for the non-batch setting.

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

The original Grover's algorithm suffers from the souffle problem, which means that the success probability of quantum search decreases dramatically if the iteration time is too small or too large from the right time. To overcome the souffle problem, the fixed-point quantum search with an optimal number of queries was proposed [Phys. Rev. Lett. 113, 210501 (2014)], which always finds a marked state with a high probability when a lower bound of the proportion of marked states is given. The fixed-point quantum search relies on a key lemma regarding the explicit formula of recursive quasi-Chebyshev polynomials, but its proof is not given explicitly. In this work, we give a detailed proof of this lemma, thus providing a sound foundation for the correctness of the fixed-point quantum search. This lemma may be of independent interest as well, since it expands the mathematical form of the recursive relation of Chebyshev polynomials of the first kind, and it also constitutes a key component in overcoming the souffle problem of quantum walk-based search algorithms, for example, robust quantum walk search on complete bipartite graphs [Phys. Rev. A 106, 052207 (2022)]. Hopefully, more applications of the lemma will be found in the future.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

The concept class of low-degree polynomial threshold functions (PTFs) plays a fundamental role in machine learning. In this paper, we study PAC learning of K-sparse degree-d PTFs on R^n, where any such concept depends only on K out of n attributes of the input. Our main contribution is a new algorithm that runs in time ({nd}/{epsilon})^{O(d)} and under the Gaussian marginal distribution, PAC learns the class up to error rate epsilon with O(K^{4d}{epsilon^{2d}} cdot log^{5d} n) samples even when an eta leq O(epsilon^d) fraction of them are corrupted by the nasty noise of Bshouty et al. (2002), possibly the strongest corruption model. Prior to this work, attribute-efficient robust algorithms are established only for the special case of sparse homogeneous halfspaces. Our key ingredients are: 1) a structural result that translates the attribute sparsity to a sparsity pattern of the Chow vector under the basis of Hermite polynomials, and 2) a novel attribute-efficient robust Chow vector estimation algorithm which uses exclusively a restricted Frobenius norm to either certify a good approximation or to validate a sparsity-induced degree-2d polynomial as a filter to detect corrupted samples.

We show how to obtain improved active learning methods in the agnostic (adversarial noise) setting by combining marginal leverage score sampling with non-independent sampling strategies that promote spatial coverage. In particular, we propose an easily implemented method based on the pivotal sampling algorithm, which we test on problems motivated by learning-based methods for parametric PDEs and uncertainty quantification. In comparison to independent sampling, our method reduces the number of samples needed to reach a given target accuracy by up to 50%. We support our findings with two theoretical results. First, we show that any non-independent leverage score sampling method that obeys a weak one-sided ell_{infty} independence condition (which includes pivotal sampling) can actively learn d dimensional linear functions with O(dlog d) samples, matching independent sampling. This result extends recent work on matrix Chernoff bounds under ell_{infty} independence, and may be of interest for analyzing other sampling strategies beyond pivotal sampling. Second, we show that, for the important case of polynomial regression, our pivotal method obtains an improved bound of O(d) samples.

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.

Chain-of-Thought (CoT) prompting has become the de facto method to elicit reasoning capabilities from large language models (LLMs). However, to mitigate hallucinations in CoT that are notoriously difficult to detect, current methods such as process reward models (PRMs) or self-consistency operate as opaque boxes and do not provide checkable evidence for their judgments, possibly limiting their effectiveness. To address this issue, we draw inspiration from the idea that "the gold standard for supporting a mathematical claim is to provide a proof". We propose a retrospective, step-aware formal verification framework Safe. Rather than assigning arbitrary scores, we strive to articulate mathematical claims in formal mathematical language Lean 4 at each reasoning step and provide formal proofs to identify hallucinations. We evaluate our framework Safe across multiple language models and various mathematical datasets, demonstrating a significant performance improvement while offering interpretable and verifiable evidence. We also propose FormalStep as a benchmark for step correctness theorem proving with 30,809 formal statements. To the best of our knowledge, our work represents the first endeavor to utilize formal mathematical language Lean 4 for verifying natural language content generated by LLMs, aligning with the reason why formal mathematical languages were created in the first place: to provide a robust foundation for hallucination-prone human-written proofs.

Assume n, m are positive integers and G is a graph. Let P_{n,m} be the graph obtained from the path with vertices {-m, -(m-1), ldots, 0, ldots, n} by adding a loop at vertex 0. The double cone Delta_{n,m}(G) over a graph G is obtained from the direct product G times P_{n,m} by identifying V(G) times {n} into a single vertex (star, n), identifying V(G) times {-m} into a single vertex (star, -m), and adding an edge connecting (star, -m) and (star, n). This paper determines the fractional chromatic number of Delta_{n,m}(G). In particular, if n < m or n=m is even, then chi_f(Delta_{n,m}(G)) = chi_f(Delta_n(G)), where Delta_n(G) is the nth cone over G. If n=m is odd, then chi_f(Delta_{n,m}(G)) > chi_f(Delta_n(G)). The chromatic number of Delta_{n,m}(G) is also discussed.

Two well-studied Diophantine equations are those of Pythagorean triples and elliptic curves, for the first we have a parametrization through rational points on the unit circle, and for the second we have a structure theorem for the group of rational solutions. Recently, Yekutieli discussed a connection between these two problems, and described the group structure of Pythagorean triples and the number of triples for a given hypotenuse. In arXiv:2112.03663 we generalized these methods and results to Pell's equation. We find a similar group structure and count on the number of solutions for a given z to x^2 + Dy^2 = z^2 when D is 1 or 2 modulo 4 and the class group of Q[-D] is a free Z_2 module, which always happens if the class number is at most 2. In this paper, we discuss the main results of arXiv:2112.03663 using some concrete examples in the case of D=105.

Local heights are arithmetic invariants used in the quadratic Chabauty method for determining the rational points on curves. We present an algorithm to compute these local heights for hyperelliptic curves at odd primes ellneq p. This algorithm significantly broadens the applicability of quadratic Chabauty to curves which were previously inaccessible due to the presence of non-trivial local heights. We provide numerous examples, including the first quadratic Chabauty computation for a curve having two primes with non-trivial local heights.

Despite the success of neural networks (NNs), there is still a concern among many over their "black box" nature. Why do they work? Here we present a simple analytic argument that NNs are in fact essentially polynomial regression models. This view will have various implications for NNs, e.g. providing an explanation for why convergence problems arise in NNs, and it gives rough guidance on avoiding overfitting. In addition, we use this phenomenon to predict and confirm a multicollinearity property of NNs not previously reported in the literature. Most importantly, given this loose correspondence, one may choose to routinely use polynomial models instead of NNs, thus avoiding some major problems of the latter, such as having to set many tuning parameters and dealing with convergence issues. We present a number of empirical results; in each case, the accuracy of the polynomial approach matches or exceeds that of NN approaches. A many-featured, open-source software package, polyreg, is available.

We develop the GKM theory for the torus-equivariant cohomology of the affine flag variety using the combinatorics of alcove walks. Dual to the usual GKM setup, which depicts the orbits of the small torus action on a graph, alcove walks take place in tessellations of Euclidean space. Walks in affine rank two occur on triangulations of the plane, providing a more direct connection to splines used for approximating surfaces. Alcove walks in GKM theory also need not be minimal length, and can instead be randomly generated, giving rise to more flexible implementation. This work reinterprets and recovers classical results in GKM theory on the affine flag variety, generalizing them to both non-minimal and folded alcove walks, all motivated by applications to splines.

Polynomial neural networks (PNNs) have been recently shown to be particularly effective at image generation and face recognition, where high-frequency information is critical. Previous studies have revealed that neural networks demonstrate a spectral bias towards low-frequency functions, which yields faster learning of low-frequency components during training. Inspired by such studies, we conduct a spectral analysis of the Neural Tangent Kernel (NTK) of PNNs. We find that the Pi-Net family, i.e., a recently proposed parametrization of PNNs, speeds up the learning of the higher frequencies. We verify the theoretical bias through extensive experiments. We expect our analysis to provide novel insights into designing architectures and learning frameworks by incorporating multiplicative interactions via polynomials.

New geometric methods for fast evaluation of derivatives of polynomial and rational B\'{e}zier curves are proposed. They apply an algorithm for evaluating polynomial or rational B\'{e}zier curves, which was recently given by the authors. Numerical tests show that the new approach is more efficient than the methods which use the famous de Casteljau algorithm. The algorithms work well even for high-order derivatives of rational B\'{e}zier curves of high degrees.

Which functions can be used as activations in deep neural networks? This article explores families of functions based on orthonormal bases, including the Hermite polynomial basis and the Fourier trigonometric basis, as well as a basis resulting from the tropicalization of a polynomial basis. Our study shows that, through simple variance-preserving initialization and without additional clamping mechanisms, these activations can successfully be used to train deep models, such as GPT-2 for next-token prediction on OpenWebText and ConvNeXt for image classification on ImageNet. Our work addresses the issue of exploding and vanishing activations and gradients, particularly prevalent with polynomial activations, and opens the door for improving the efficiency of large-scale learning tasks. Furthermore, our approach provides insight into the structure of neural networks, revealing that networks with polynomial activations can be interpreted as multivariate polynomial mappings. Finally, using Hermite interpolation, we show that our activations can closely approximate classical ones in pre-trained models by matching both the function and its derivative, making them especially useful for fine-tuning tasks. These activations are available in the torchortho library, which can be accessed via: https://github.com/K-H-Ismail/torchortho.

We present an end-to-end reconfigurable algorithmic pipeline for solving a famous problem in knot theory using a noisy digital quantum computer, namely computing the value of the Jones polynomial at the fifth root of unity within additive error for any input link, i.e. a closed braid. This problem is DQC1-complete for Markov-closed braids and BQP-complete for Plat-closed braids, and we accommodate both versions of the problem. Even though it is widely believed that DQC1 is strictly contained in BQP, and so is 'less quantum', the resource requirements of classical algorithms for the DQC1 version are at least as high as for the BQP version, and so we potentially gain 'more advantage' by focusing on Markov-closed braids in our exposition. We demonstrate our quantum algorithm on Quantinuum's H2-2 quantum computer and show the effect of problem-tailored error-mitigation techniques. Further, leveraging that the Jones polynomial is a link invariant, we construct an efficiently verifiable benchmark to characterise the effect of noise present in a given quantum processor. In parallel, we implement and benchmark the state-of-the-art tensor-network-based classical algorithms for computing the Jones polynomial. The practical tools provided in this work allow for precise resource estimation to identify near-term quantum advantage for a meaningful quantum-native problem in knot theory.

Using Large Language Models for complex mathematical reasoning is difficult, primarily due to the complexity of multi-step reasoning. The main challenges of this process include (1) selecting critical intermediate results to advance the procedure, and (2) limited exploration of potential solutions. To address these issues, we introduce a novel algorithm, namely Stepwise Self-Consistent Chain-of-Thought (SSC-CoT). SSC-CoT employs a strategy of selecting intermediate steps based on the intersection of various reasoning chains. Additionally, SSC-CoT enables the model to discover critical intermediate steps by querying a knowledge graph comprising relevant domain knowledge. To validate SSC-CoT, we present a new dataset, TriMaster100, tailored for complex trigonometry problems. This dataset contains 100 questions, with each solution broken down into scored intermediate steps, facilitating a comprehensive evaluation of the mathematical reasoning process. On TriMaster100, SSC-CoT triples the effectiveness of the state-of-the-art methods. Furthermore, we benchmark SSC-CoT on the widely recognized complex mathematical question dataset, MATH level 5, and it surpasses the second-best method by 7.2% in accuracy. Code and the TriMaster100 dataset can be found at: https://github.com/zhao-zilong/ssc-cot.

Nowadays, formal theorem provers have made monumental progress on high-school and competition-level mathematics, but few of them generalize to more advanced mathematics. In this paper, we present REAL-Prover, a new open-source stepwise theorem prover for Lean 4 to push this boundary. This prover, based on our fine-tuned large language model (REAL-Prover-v1) and integrated with a retrieval system (Leansearch-PS), notably boosts performance on solving college-level mathematics problems. To train REAL-Prover-v1, we developed HERALD-AF, a data extraction pipeline that converts natural language math problems into formal statements, and a new open-source Lean 4 interactive environment (Jixia-interactive) to facilitate synthesis data collection. In our experiments, our prover using only supervised fine-tune achieves competitive results with a 23.7% success rate (Pass@64) on the ProofNet dataset-comparable to state-of-the-art (SOTA) models. To further evaluate our approach, we introduce FATE-M, a new benchmark focused on algebraic problems, where our prover achieves a SOTA success rate of 56.7% (Pass@64).

We study first-order methods with preconditioning for solving structured nonlinear convex optimization problems. We propose a new family of preconditioners generated by symmetric polynomials. They provide first-order optimization methods with a provable improvement of the condition number, cutting the gaps between highest eigenvalues, without explicit knowledge of the actual spectrum. We give a stochastic interpretation of this preconditioning in terms of coordinate volume sampling and compare it with other classical approaches, including the Chebyshev polynomials. We show how to incorporate a polynomial preconditioning into the Gradient and Fast Gradient Methods and establish the corresponding global complexity bounds. Finally, we propose a simple adaptive search procedure that automatically chooses the best possible polynomial preconditioning for the Gradient Method, minimizing the objective along a low-dimensional Krylov subspace. Numerical experiments confirm the efficiency of our preconditioning strategies for solving various machine learning problems.

We consider an existing conjecture addressing the asymptotic behavior of neural networks in the large width limit. The results that follow from this conjecture include tight bounds on the behavior of wide networks during stochastic gradient descent, and a derivation of their finite-width dynamics. We prove the conjecture for deep networks with polynomial activation functions, greatly extending the validity of these results. Finally, we point out a difference in the asymptotic behavior of networks with analytic (and non-linear) activation functions and those with piecewise-linear activations such as ReLU.

Optimizing neural networks with loss that contain high-dimensional and high-order differential operators is expensive to evaluate with back-propagation due to O(d^{k}) scaling of the derivative tensor size and the O(2^{k-1}L) scaling in the computation graph, where d is the dimension of the domain, L is the number of ops in the forward computation graph, and k is the derivative order. In previous works, the polynomial scaling in d was addressed by amortizing the computation over the optimization process via randomization. Separately, the exponential scaling in k for univariate functions (d=1) was addressed with high-order auto-differentiation (AD). In this work, we show how to efficiently perform arbitrary contraction of the derivative tensor of arbitrary order for multivariate functions, by properly constructing the input tangents to univariate high-order AD, which can be used to efficiently randomize any differential operator. When applied to Physics-Informed Neural Networks (PINNs), our method provides >1000times speed-up and >30times memory reduction over randomization with first-order AD, and we can now solve 1-million-dimensional PDEs in 8 minutes on a single NVIDIA A100 GPU. This work opens the possibility of using high-order differential operators in large-scale problems.