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Sep 2

Distinguishability and linear independence for H-chromatic symmetric functions

We study the H-chromatic symmetric functions X_G^H (introduced in (arXiv:2011.06063) as a generalization of the chromatic symmetric function (CSF) X_G), which track homomorphisms from the graph G to the graph H. We focus first on the case of self-chromatic symmetric functions (self-CSFs) X_G^G, making some progress toward a conjecture from (arXiv:2011.06063) that the self-CSF, like the normal CSF, is always different for different trees. In particular, we show that the self-CSF distinguishes trees from non-trees with just one exception, we check using Sage that it distinguishes all trees on up to 12 vertices, and we show that it determines the number of legs of a spider and the degree sequence of a caterpillar given its spine length. We also show that the self-CSF detects the number of connected components of a forest, again with just one exception. Then we prove some results about the power sum expansions for H-CSFs when H is a complete bipartite graph, in particular proving that the conjecture from (arXiv:2011.06063) about p-monotonicity of ω(X_G^H) for H a star holds as long as H is sufficiently large compared to G. We also show that the self-CSFs of complete multipartite graphs form a basis for the ring Λ of symmetric functions, and we give some construction of bases for the vector space Λ^n of degree n symmetric functions using H-CSFs X_G^H where H is a fixed graph that is not a complete graph, answering a question from (arXiv:2011.06063) about whether such bases exist. However, we show that there generally do not exist such bases with G fixed, even with loops, answering another question from (arXiv:2011.06063). We also define the H-chromatic polynomial as an analogue of the chromatic polynomial, and ask when it is the same for different graphs.

  • 2 authors
·
Nov 11, 2025

Polynomial-Time Optimal Group Selection via the Double-Commutator Eigenvalue Problem

The algebraic diversity framework generalizes temporal averaging over multiple observations to algebraic group action on a single observation for second-order statistical estimation. The central open problem in this framework is group selection: given an M-dimensional observation with unknown covariance structure, find the finite group whose spectral decomposition best matches the covariance. Naive enumeration of all subgroups of the symmetric group S_M requires exponential time in M. We prove that this combinatorial problem reduces to a generalized eigenvalue problem derived from the double commutator of the covariance matrix, yielding a polynomial-time algorithm with complexity O(d^2M^2 + d^3), where d is the dimension of a generator basis. The minimum eigenvector of the double-commutator matrix directly constructs the optimal group generator in closed form, with no iterative optimization. The reduction is exact: the double-commutator minimum eigenvalue is zero if and only if the optimal generator lies in the span of the basis, and its magnitude provides a certifiable optimality gap when it does not. This problem does not appear in the standard catalogs of computational complexity (Garey and Johnson, 1979) and represents a new class linking group theory, matrix analysis, and statistical estimation. We establish connections to independent component analysis (JADE), structured matrix nearness problems, and simultaneous matrix diagonalization, and we show that the double-commutator formulation is the unique approach that is simultaneously polynomial-time, closed-form, and certifiable. We extend the framework to non-Abelian symmetry recovery via a Sequential GEVP with deflation, and add two identifiability theorems characterizing the commutant-lattice ambiguity and the dichotomy on whether Aut(R) recovers a generative subgroup or only a supergroup.

  • 1 authors
·
May 7

Physics-informed cluster analysis and a priori efficiency criterion for the construction of local reduced-order bases

Nonlinear model order reduction has opened the door to parameter optimization and uncertainty quantification in complex physics problems governed by nonlinear equations. In particular, the computational cost of solving these equations can be reduced by means of local reduced-order bases. This article examines the benefits of a physics-informed cluster analysis for the construction of cluster-specific reduced-order bases. We illustrate that the choice of the dissimilarity measure for clustering is fundamental and highly affects the performances of the local reduced-order bases. It is shown that clustering with an angle-based dissimilarity on simulation data efficiently decreases the intra-cluster Kolmogorov N-width. Additionally, an a priori efficiency criterion is introduced to assess the relevance of a ROM-net, a methodology for the reduction of nonlinear physics problems introduced in our previous work in [T. Daniel, F. Casenave, N. Akkari, D. Ryckelynck, Model order reduction assisted by deep neural networks (ROM-net), Advanced Modeling and Simulation in Engineering Sciences 7 (16), 2020]. This criterion also provides engineers with a very practical method for ROM-nets' hyperparameters calibration under constrained computational costs for the training phase. On five different physics problems, our physics-informed clustering strategy significantly outperforms classic strategies for the construction of local reduced-order bases in terms of projection errors.

  • 5 authors
·
Mar 25, 2021

Nonlinear energy-preserving model reduction with lifting transformations that quadratize the energy

Existing model reduction techniques for high-dimensional models of conservative partial differential equations (PDEs) encounter computational bottlenecks when dealing with systems featuring non-polynomial nonlinearities. This work presents a nonlinear model reduction method that employs lifting variable transformations to derive structure-preserving quadratic reduced-order models for conservative PDEs with general nonlinearities. We present an energy-quadratization strategy that defines the auxiliary variable in terms of the nonlinear term in the energy expression to derive an equivalent quadratic lifted system with quadratic system energy. The proposed strategy combined with proper orthogonal decomposition model reduction yields quadratic reduced-order models that conserve the quadratized lifted energy exactly in high dimensions. We demonstrate the proposed model reduction approach on four nonlinear conservative PDEs: the one-dimensional wave equation with exponential nonlinearity, the two-dimensional sine-Gordon equation, the two-dimensional Klein-Gordon equation with parametric dependence, and the two-dimensional Klein-Gordon-Zakharov equations. The numerical results show that the proposed lifting approach is competitive with the state-of-the-art structure-preserving hyper-reduction method in terms of both accuracy and computational efficiency in the online stage while providing significant computational gains in the offline stage.

  • 3 authors
·
Oct 17, 2025

Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products

Developing equivariant neural networks for the E(3) group plays an important role in modeling 3D data across real-world applications. Enforcing this equivariance primarily involves the tensor products of irreducible representations (irreps). However, the computational complexity of such operations increases significantly as higher-order tensors are used. In this work, we propose a systematic approach to substantially accelerate the computation of the tensor products of irreps. We mathematically connect the commonly used Clebsch-Gordan coefficients to the Gaunt coefficients, which are integrals of products of three spherical harmonics. Through Gaunt coefficients, the tensor product of irreps becomes equivalent to the multiplication between spherical functions represented by spherical harmonics. This perspective further allows us to change the basis for the equivariant operations from spherical harmonics to a 2D Fourier basis. Consequently, the multiplication between spherical functions represented by a 2D Fourier basis can be efficiently computed via the convolution theorem and Fast Fourier Transforms. This transformation reduces the complexity of full tensor products of irreps from O(L^6) to O(L^3), where L is the max degree of irreps. Leveraging this approach, we introduce the Gaunt Tensor Product, which serves as a new method to construct efficient equivariant operations across different model architectures. Our experiments on the Open Catalyst Project and 3BPA datasets demonstrate both the increased efficiency and improved performance of our approach.

  • 3 authors
·
Jan 18, 2024

One-connection rule for structural equation models

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.

  • 4 authors
·
Oct 1, 2022

Learning Hierarchical Polynomials with Three-Layer Neural Networks

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.

  • 3 authors
·
Nov 22, 2023

On composition and decomposition operations for vector spaces, graphs and matroids

In this paper, we study the ideas of composition and decomposition in the context of vector spaces, graphs and matroids. For vector spaces V_{AB}, treated as collection of row vectors, with specified column set Auplus B, we define V_{SP}lrarv V_{PQ}, Scap Q= emptyset, to be the collection of all vectors (f_S,f_Q) such that (f_S,f_P)in V_{SP}, (f_P,f_Q)in V_{PQ}. An analogous operation G_{SP}lrarg G_{PQ}equivd G_{PQ} can be defined in relation to graphs G_{SP}, G_{PQ}, on edge sets Suplus P, Puplus Q, respectively in terms of an overlapping subgraph G_P which gets deleted in the right side graph (see for instance the notion of k-sum oxley). For matroids we define the `linking' M_{SP}lrarm M_{PQ} equivd (M_{SP}vee M_{PQ})times (Suplus Q), denoting the contraction operation by 'times'. In each case, we examine how to minimize the size of the `overlap' set P, without affecting the right side entity. In the case of vector spaces, there is a polynomial time algorithm for achieving the minimum, which we present. Similar ideas work for graphs and for matroids under appropriate conditions. Next we consider the problem of decomposition. Here, in the case of vector spaces, the problem is to decompose V_{SQ} as V_{SP}lrarv V_{PQ}, with minimum size P. We give a polynomial time algorithm for this purpose. In the case of graphs and matroids we give a solution to this problem under certain restrictions.

  • 1 authors
·
Jul 13, 2023

Tensor Decomposition Networks for Fast Machine Learning Interatomic Potential Computations

SO(3)-equivariant networks are the dominant models for machine learning interatomic potentials (MLIPs). The key operation of such networks is the Clebsch-Gordan (CG) tensor product, which is computationally expensive. To accelerate the computation, we develop tensor decomposition networks (TDNs) as a class of approximately equivariant networks in which CG tensor products are replaced by low-rank tensor decompositions, such as the CANDECOMP/PARAFAC (CP) decomposition. With the CP decomposition, we prove (i) a uniform bound on the induced error of SO(3)-equivariance, and (ii) the universality of approximating any equivariant bilinear map. To further reduce the number of parameters, we propose path-weight sharing that ties all multiplicity-space weights across the O(L^3) CG paths into a single shared parameter set without compromising equivariance, where L is the maximum angular degree. The resulting layer acts as a plug-and-play replacement for tensor products in existing networks, and the computational complexity of tensor products is reduced from O(L^6) to O(L^4). We evaluate TDNs on PubChemQCR, a newly curated molecular relaxation dataset containing 105 million DFT-calculated snapshots. We also use existing datasets, including OC20, and OC22. Results show that TDNs achieve competitive performance with dramatic speedup in computations. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS/tree/main/OpenMol/TDN{https://github.com/divelab/AIRS/}).

  • 9 authors
·
Jul 1, 2025

On the matrices in B-spline collocation methods for Riesz fractional equations and their spectral properties

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.

  • 4 authors
·
Jun 28, 2021

Unification of Signal Transform Theory

We unify the discrete Fourier transform (DFT), discrete cosine transform (DCT), Walsh-Hadamard, Haar wavelet, Karhunen-Loève transform, and several others along with their continuous counterparts (Fourier transform, Fourier series, spherical harmonics, fractional Fourier transform) under one representation-theoretic principle: each is the eigenbasis of every covariance invariant under a specific finite or compact group, with columns constructed from the irreducible matrix elements of the group via the Peter-Weyl theorem. The unification rests on the Algebraic Diversity (AD) framework, which identifies the matched group of a covariance as the foundational object of second-order signal processing. The data-dependent KLT emerges as the trivial-matched-group limit; classical transforms emerge as the cyclic, dihedral, elementary abelian, iterated wreath, and hybrid wreath cases. Composition rules cover direct, wreath, and semidirect products. The Reed-Muller and arithmetic transforms appear as related change-of-basis transforms on the matched group of Walsh-Hadamard. A polynomial-time algorithm for matched-group discovery, the DAD-CAD relaxation cast as a generalized eigenvalue problem in double-commutator form, closes the operational loop: the matched group of any empirical covariance is discovered without expert judgment, with noise-aware variants via the commutativity residual δ and algebraic coloring index α for finite-SNR settings. The fractional Fourier transform is treated as the metaplectic SO(2) case with Hermite-Gauss matched basis, and a structural principle relates matched group size inversely to transform resolution. Modern applications (massive-MIMO, graph neural networks, transformer attention, point cloud and 3D vision, brain connectivity, single-cell genomics, quantum informatics) are sketched with their matched groups.

  • 1 authors
·
May 11

Multiple-basis representation of quantum states

Classical simulation of quantum physics is a central approach to investigating physical phenomena. Quantum computers enhance computational capabilities beyond those of classical resources, but it remains unclear to what extent existing limited quantum computers can contribute to this enhancement. In this work, we explore a new hybrid, efficient quantum-classical representation of quantum states, the multiple-basis representation. This representation consists of a linear combination of states that are sparse in some given and different bases, specified by quantum circuits. Such representation is particularly appealing when considering depth-limited quantum circuits within reach of current hardware. We analyze the expressivity of multiple-basis representation states depending on the classical simulability of their quantum circuits. In particular, we show that multiple-basis representation states include, but are not restricted to, both matrix-product states and stabilizer states. Furthermore, we find cases in which this representation can be used, namely approximation of ground states, simulation of deeper computations by specifying bases with shallow circuits, and a tomographical protocol to describe states as multiple-basis representations. We envision this work to open the path of simultaneous use of several hardware-friendly bases, a natural description of hybrid computational methods accessible for near-term hardware.

  • 4 authors
·
Jan 26, 2025

Equivariant Polynomials for Graph Neural Networks

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

  • 5 authors
·
Feb 22, 2023

SVD-Free Low-Rank Adaptive Gradient Optimization for Large Language Models

Low-rank optimization has emerged as a promising direction in training large language models (LLMs) to reduce the memory usage of adaptive optimizers by constraining learning to a lower-dimensional space. Prior work typically projects gradients of linear layers using approaches based on Singular Value Decomposition (SVD). However, applying SVD-based procedures individually to each layer in large models is computationally expensive and incurs additional memory costs due to storing the projection matrices. In this work, we propose a computationally efficient and conceptually simple two-step procedure to approximate SVD-based gradient projections into lower-dimensional spaces. First, we construct a complete orthogonal basis using predefined orthogonal matrices of the Discrete Cosine Transform (DCT). Second, we adaptively select basis columns based on their alignment with the gradient of each layer. Each projection matrix in our method is obtained via a single matrix multiplication followed by a lightweight sorting step to identify the most relevant basis vectors. Due to the predefined nature of the orthogonal bases, they are computed once at the start of training. During training, we store only the indices of the selected columns, avoiding the need to store full projection matrices for each layer. Our numerical experiments on both pre-training and fine-tuning tasks demonstrate the effectiveness of our dual strategy in approximating optimal low-rank projections, matching the performance of costly SVD-based methods while achieving faster runtime and reduced memory usage.

  • 4 authors
·
May 23, 2025

Learning Eigenstructures of Unstructured Data Manifolds

We introduce a novel framework that directly learns a spectral basis for shape and manifold analysis from unstructured data, eliminating the need for traditional operator selection, discretization, and eigensolvers. Grounded in optimal-approximation theory, we train a network to decompose an implicit approximation operator by minimizing the reconstruction error in the learned basis over a chosen distribution of probe functions. For suitable distributions, they can be seen as an approximation of the Laplacian operator and its eigendecomposition, which are fundamental in geometry processing. Furthermore, our method recovers in a unified manner not only the spectral basis, but also the implicit metric's sampling density and the eigenvalues of the underlying operator. Notably, our unsupervised method makes no assumption on the data manifold, such as meshing or manifold dimensionality, allowing it to scale to arbitrary datasets of any dimension. On point clouds lying on surfaces in 3D and high-dimensional image manifolds, our approach yields meaningful spectral bases, that can resemble those of the Laplacian, without explicit construction of an operator. By replacing the traditional operator selection, construction, and eigendecomposition with a learning-based approach, our framework offers a principled, data-driven alternative to conventional pipelines. This opens new possibilities in geometry processing for unstructured data, particularly in high-dimensional spaces.

Physics-informed graph neural Galerkin networks: A unified framework for solving PDE-governed forward and inverse problems

Despite the great promise of the physics-informed neural networks (PINNs) in solving forward and inverse problems, several technical challenges are present as roadblocks for more complex and realistic applications. First, most existing PINNs are based on point-wise formulation with fully-connected networks to learn continuous functions, which suffer from poor scalability and hard boundary enforcement. Second, the infinite search space over-complicates the non-convex optimization for network training. Third, although the convolutional neural network (CNN)-based discrete learning can significantly improve training efficiency, CNNs struggle to handle irregular geometries with unstructured meshes. To properly address these challenges, we present a novel discrete PINN framework based on graph convolutional network (GCN) and variational structure of PDE to solve forward and inverse partial differential equations (PDEs) in a unified manner. The use of a piecewise polynomial basis can reduce the dimension of search space and facilitate training and convergence. Without the need of tuning penalty parameters in classic PINNs, the proposed method can strictly impose boundary conditions and assimilate sparse data in both forward and inverse settings. The flexibility of GCNs is leveraged for irregular geometries with unstructured meshes. The effectiveness and merit of the proposed method are demonstrated over a variety of forward and inverse computational mechanics problems governed by both linear and nonlinear PDEs.

  • 3 authors
·
Jul 16, 2021

Principled Approaches for Extending Neural Architectures to Function Spaces for Operator Learning

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

  • 7 authors
·
Jun 12, 2025

FLoRA: Low-Rank Core Space for N-dimension

Adapting pre-trained foundation models for various downstream tasks has been prevalent in artificial intelligence. Due to the vast number of tasks and high costs, adjusting all parameters becomes unfeasible. To mitigate this, several fine-tuning techniques have been developed to update the pre-trained model weights in a more resource-efficient manner, such as through low-rank adjustments. Yet, almost all of these methods focus on linear weights, neglecting the intricacies of parameter spaces in higher dimensions like 4D. Alternatively, some methods can be adapted for high-dimensional parameter space by compressing changes in the original space into two dimensions and then employing low-rank matrix decomposition. However, these approaches destructs the structural integrity of the involved high-dimensional spaces. To tackle the diversity of dimensional spaces across different foundation models and provide a more precise representation of the changes within these spaces, this paper introduces a generalized parameter-efficient fine-tuning framework, FLoRA, designed for various dimensional parameter space. Specifically, utilizing Tucker decomposition, FLoRA asserts that changes in each dimensional parameter space are based on a low-rank core space which maintains the consistent topological structure with the original space. It then models the changes through this core space alongside corresponding weights to reconstruct alterations in the original space. FLoRA effectively preserves the structural integrity of the change of original N-dimensional parameter space, meanwhile decomposes it via low-rank tensor decomposition. Extensive experiments on computer vision, natural language processing and multi-modal tasks validate FLoRA's effectiveness. Codes are available at https://github.com/SJTU-DeepVisionLab/FLoRA.

  • 9 authors
·
May 23, 2024

Yet another argument in favour of NP=CoNP

This article shows yet another proof of NP=CoNP$. In a previous article, we proved that NP=PSPACE and from it we can conclude that NP=CoNP immediately. The former proof shows how to obtain polynomial and, polynomial in time checkable Dag-like proofs for all purely implicational Minimal logic tautologies. From the fact that Minimal implicational logic is PSPACE-complete we get the proof that NP=PSPACE. This first proof of NP=CoNP uses Hudelmaier linear upper-bound on the height of Sequent Calculus minimal implicational logic proofs. In an addendum to the proof of NP=PSPACE, we observe that we do not need to use Hudelmaier upper-bound since any proof of non-hamiltonicity for any graph is linear upper-bounded. By the CoNP-completeness of non-hamiltonicity, we obtain NP=CoNP as a corollary of the first proof. In this article we show the third proof of CoNP=NP, also providing polynomial size and polynomial verifiable certificates that are Dags. They are generated from normal Natural Deduction proofs, linear height upper-bounded too, by removing redundancy, i.e., repeated parts. The existence of repeated parts is a consequence of the redundancy theorem for a family of super-polynomial proofs in the purely implicational Minimal logic. It is mandatory to read at least two previous articles to get the details of the proof presented here. The article that proves the redundancy theorem and the article that shows how to remove the repeated parts of a normal Natural Deduction proof to have a polynomial Dag certificate for minimal implicational logic tautologies.

  • 1 authors
·
Dec 28, 2020

Symbolic Synthesis of Neural Networks

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

  • 1 authors
·
Mar 6, 2023

Cylindric plane partitions, Lambda determinants, Commutants in semicircular systems

This thesis is divided into three parts. The first part deals with cylindric plane partitions. The second with lambda-determinants and the third with commutators in semi-circular systems. For more detailed abstract please see inside. Cylindric plane partitions may be thought of as a natural generalization of reverse plane partitions. A generating series for the enumeration of cylindric plane partitions was recently given by Borodin. The first result of section one is a new bijective proof of Borodin's identity which makes use of Fomin's growth diagram framework for generalized RSK correspondences. The second result is a (q,t)-analog of Borodin's identity which extends previous work by Okada in the reverse plane partition case. The third result is an explicit combinatorial interpretation of the Macdonald weight occurring in the (q,t)-analog using the non-intersecting lattice path model for cylindric plane partitions. Alternating sign matrices were discovered by Robbins and Rumsey whilst studying λ-determinants. In the second part of this thesis we prove a multi-parameter generalization of the λ-determinant, generalizing a recent result by di Francesco. Like the original λ-determinant, our formula exhibits the Laurent phenomenon. Semicircular systems were first introduced by Voiculescu as a part of his study of von Neumann algebras. In the third part of this thesis we study certain commutator subalgebras of the semicircular system. We find a projection matrix with an interesting self-similar structure. Making use of our projection formula we given an alternative, elementary proof that the semicircular system is a factor.

  • 1 authors
·
Oct 25, 2021

Learning to Normalize on the SPD Manifold under Bures-Wasserstein Geometry

Covariance matrices have proven highly effective across many scientific fields. Since these matrices lie within the Symmetric Positive Definite (SPD) manifold - a Riemannian space with intrinsic non-Euclidean geometry, the primary challenge in representation learning is to respect this underlying geometric structure. Drawing inspiration from the success of Euclidean deep learning, researchers have developed neural networks on the SPD manifolds for more faithful covariance embedding learning. A notable advancement in this area is the implementation of Riemannian batch normalization (RBN), which has been shown to improve the performance of SPD network models. Nonetheless, the Riemannian metric beneath the existing RBN might fail to effectively deal with the ill-conditioned SPD matrices (ICSM), undermining the effectiveness of RBN. In contrast, the Bures-Wasserstein metric (BWM) demonstrates superior performance for ill-conditioning. In addition, the recently introduced Generalized BWM (GBWM) parameterizes the vanilla BWM via an SPD matrix, allowing for a more nuanced representation of vibrant geometries of the SPD manifold. Therefore, we propose a novel RBN algorithm based on the GBW geometry, incorporating a learnable metric parameter. Moreover, the deformation of GBWM by matrix power is also introduced to further enhance the representational capacity of GBWM-based RBN. Experimental results on different datasets validate the effectiveness of our proposed method.

  • 5 authors
·
Apr 1, 2025

Geometric Stability: The Missing Axis of Representations

Representational similarity analysis and related methods compare the internal geometries of neural networks, but they measure only alignment between spaces, leaving a blind spot -- whether a representation's structure is reliably recoverable, not merely similar. We introduce geometric stability, a distinct axis, and Shesha, a metric that quantifies it from a single representation by correlating dissimilarity matrices built from complementary random halves of the feature dimensions. Unlike CKA and Procrustes distance, Shesha is provably non-invariant to orthogonal rotations of the feature basis. This is by design: the basis is privileged for learned models, since probes, patching, and steering act on coordinates, and a rotation-invariant metric cannot see whether the targeted structure survives them. A double dissociation isolates the mechanism -- removing the top principal component collapses CKA while Shesha holds, whereas rotating a representation into its eigenbasis, which preserves the spectrum and CKA exactly, collapses Shesha. Across 2,463 encoder configurations in seven domains, the metrics are redundant under geometry-preserving transforms and anti-correlate under compression (ρ=-0.47). Across 170 vision models spanning 6 clean and 38 corruption-shifted datasets, DINOv2 ranks first or second in transferability on three of six clean datasets yet bottom-quartile in stability on five, an isolated dissociation rather than a trade-off.

  • 1 authors
·
Jul 5 2

Measuring the Intrinsic Dimension of Objective Landscapes

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

  • 4 authors
·
Apr 24, 2018

Iterative Methods via Locally Evolving Set Process

Given the damping factor α and precision tolerance ε, andersen2006local introduced Approximate Personalized PageRank (APPR), the de facto local method for approximating the PPR vector, with runtime bounded by Θ(1/(αε)) independent of the graph size. Recently, fountoulakis2022open asked whether faster local algorithms could be developed using O(1/(sqrtαε)) operations. By noticing that APPR is a local variant of Gauss-Seidel, this paper explores the question of whether standard iterative solvers can be effectively localized. We propose to use the locally evolving set process, a novel framework to characterize the algorithm locality, and demonstrate that many standard solvers can be effectively localized. Let operatorname{vol}{ (S_t)} and overlineγ_{t} be the running average of volume and the residual ratio of active nodes textstyle S_{t} during the process. We show operatorname{vol}{ (S_t)}/overlineγ_{t} leq 1/ε and prove APPR admits a new runtime bound O(operatorname{vol}(S_t)/(αoverlineγ_{t})) mirroring the actual performance. Furthermore, when the geometric mean of residual reduction is Θ(sqrtα), then there exists c in (0,2) such that the local Chebyshev method has runtime O(operatorname{vol}(S_{t})/(sqrtα(2-c))) without the monotonicity assumption. Numerical results confirm the efficiency of this novel framework and show up to a hundredfold speedup over corresponding standard solvers on real-world graphs.

  • 6 authors
·
Oct 18, 2024

NeuRBF: A Neural Fields Representation with Adaptive Radial Basis Functions

We present a novel type of neural fields that uses general radial bases for signal representation. State-of-the-art neural fields typically rely on grid-based representations for storing local neural features and N-dimensional linear kernels for interpolating features at continuous query points. The spatial positions of their neural features are fixed on grid nodes and cannot well adapt to target signals. Our method instead builds upon general radial bases with flexible kernel position and shape, which have higher spatial adaptivity and can more closely fit target signals. To further improve the channel-wise capacity of radial basis functions, we propose to compose them with multi-frequency sinusoid functions. This technique extends a radial basis to multiple Fourier radial bases of different frequency bands without requiring extra parameters, facilitating the representation of details. Moreover, by marrying adaptive radial bases with grid-based ones, our hybrid combination inherits both adaptivity and interpolation smoothness. We carefully designed weighting schemes to let radial bases adapt to different types of signals effectively. Our experiments on 2D image and 3D signed distance field representation demonstrate the higher accuracy and compactness of our method than prior arts. When applied to neural radiance field reconstruction, our method achieves state-of-the-art rendering quality, with small model size and comparable training speed.

  • 7 authors
·
Sep 27, 2023 2

Barlow Twins: Self-Supervised Learning via Redundancy Reduction

Self-supervised learning (SSL) is rapidly closing the gap with supervised methods on large computer vision benchmarks. A successful approach to SSL is to learn embeddings which are invariant to distortions of the input sample. However, a recurring issue with this approach is the existence of trivial constant solutions. Most current methods avoid such solutions by careful implementation details. We propose an objective function that naturally avoids collapse by measuring the cross-correlation matrix between the outputs of two identical networks fed with distorted versions of a sample, and making it as close to the identity matrix as possible. This causes the embedding vectors of distorted versions of a sample to be similar, while minimizing the redundancy between the components of these vectors. The method is called Barlow Twins, owing to neuroscientist H. Barlow's redundancy-reduction principle applied to a pair of identical networks. Barlow Twins does not require large batches nor asymmetry between the network twins such as a predictor network, gradient stopping, or a moving average on the weight updates. Intriguingly it benefits from very high-dimensional output vectors. Barlow Twins outperforms previous methods on ImageNet for semi-supervised classification in the low-data regime, and is on par with current state of the art for ImageNet classification with a linear classifier head, and for transfer tasks of classification and object detection.

  • 5 authors
·
Mar 4, 2021

Lie Group Decompositions for Equivariant Neural Networks

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

  • 2 authors
·
Oct 17, 2023

BT^2: Backward-compatible Training with Basis Transformation

Modern retrieval system often requires recomputing the representation of every piece of data in the gallery when updating to a better representation model. This process is known as backfilling and can be especially costly in the real world where the gallery often contains billions of samples. Recently, researchers have proposed the idea of Backward Compatible Training (BCT) where the new representation model can be trained with an auxiliary loss to make it backward compatible with the old representation. In this way, the new representation can be directly compared with the old representation, in principle avoiding the need for any backfilling. However, followup work shows that there is an inherent tradeoff where a backward compatible representation model cannot simultaneously maintain the performance of the new model itself. This paper reports our ``not-so-surprising'' finding that adding extra dimensions to the representation can help here. However, we also found that naively increasing the dimension of the representation did not work. To deal with this, we propose Backward-compatible Training with a novel Basis Transformation (BT^2). A basis transformation (BT) is basically a learnable set of parameters that applies an orthonormal transformation. Such a transformation possesses an important property whereby the original information contained in its input is retained in its output. We show in this paper how a BT can be utilized to add only the necessary amount of additional dimensions. We empirically verify the advantage of BT^2 over other state-of-the-art methods in a wide range of settings. We then further extend BT^2 to other challenging yet more practical settings, including significant change in model architecture (CNN to Transformers), modality change, and even a series of updates in the model architecture mimicking the evolution of deep learning models.

  • 7 authors
·
Nov 7, 2022

On the Power of the Weisfeiler-Leman Test for Graph Motif Parameters

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.

  • 2 authors
·
Sep 29, 2023

No 3D Matrices: A Unified Tensor-Product View of Matrix-Free Cartesian PDE Solvers

Every Cartesian three-dimensional PDE solver hides a structural secret that production CFD codes have used for half a century and that graduate-level textbooks rarely state plainly. The derivative matrices, the compact Padé line solves, the Galerkin mass inversions, the alternating-direction-implicit substeps, and even the fast Poisson and Helmholtz diagonalization transforms all factor along the coordinate axes and collapse into repeated one-dimensional banded kernels executed along the grid lines. The three-dimensional operator exists only on paper; it is never assembled, factored, or stored. This paper is the manual for that collapse. We derive the Kronecker-product algebra that makes it exact, carry it cleanly through central differences, compact schemes, tensor-product Galerkin, B-spline and isogeometric methods, collocation, ADI time stepping, and direct Poisson and Helmholtz solves, and bring into the open the three production tricks that turn the reduction into hardware-conscious floating-point throughput on real machines: the multi-right-hand-side reshape that exposes a sweep as one batched line kernel (a dense BLAS-3 GEMM when the line factor is dense or element-local, a banded or stencil kernel when it is not), the sum factorization that rescues high-order Galerkin from the O(p^{2d}) quadrature trap, and the pencil decomposition that keeps every direction contiguous across an MPI cluster. For fixed stencil width or fixed polynomial degree, the compute cost stays O(N) in the total number of unknowns N = N_x N_y N_z; the operator storage drops to O(N_x + N_y + N_z) up to bandwidth constants; direct separable Poisson and Helmholtz solvers add the expected transform cost; the line kernels are embarrassingly parallel. These facts are familiar to practitioners but rarely assembled in one place; this paper collects them and shows how to use them.

  • 2 authors
·
Jun 22

Identifiability in Two-Layer Sparse Matrix Factorization

Sparse matrix factorization is the problem of approximating a matrix Z by a product of J sparse factors X^{(J)} X^{(J-1)} ldots X^{(1)}. This paper focuses on identifiability issues that appear in this problem, in view of better understanding under which sparsity constraints the problem is well-posed. We give conditions under which the problem of factorizing a matrix into two sparse factors admits a unique solution, up to unavoidable permutation and scaling equivalences. Our general framework considers an arbitrary family of prescribed sparsity patterns, allowing us to capture more structured notions of sparsity than simply the count of nonzero entries. These conditions are shown to be related to essential uniqueness of exact matrix decomposition into a sum of rank-one matrices, with structured sparsity constraints. In particular, in the case of fixed-support sparse matrix factorization, we give a general sufficient condition for identifiability based on rank-one matrix completability, and we derive from it a completion algorithm that can verify if this sufficient condition is satisfied, and recover the entries in the two sparse factors if this is the case. A companion paper further exploits these conditions to derive identifiability properties and theoretically sound factorization methods for multi-layer sparse matrix factorization with support constraints associated to some well-known fast transforms such as the Hadamard or the Discrete Fourier Transforms.

  • 3 authors
·
Nov 16, 2021

AdaPreLoRA: Adafactor Preconditioned Low-Rank Adaptation

Low-Rank Adaptation (LoRA) reparameterizes a weight update as a product of two low-rank factors, but the Jacobian J_{G} of the generator mapping the factors to the weight matrix is rank-deficient, so the factor-space preconditioner J_{G}^* {F}_t J_{G} induced by any {W}-space preconditioner {F}_t is singular, and consequently the standard chain rule cannot be uniquely inverted to map a preconditioned {W}-space direction back to a factor-space update. We cast existing LoRA optimizers in a unified framework parameterized by two choices: (i) which invertible surrogate for J_{G}^* {F}_t J_{G} to use, and (ii) which {F}_t on {W} to use. Existing methods occupy four families along these axes: factor-space adaptive updates, block-diagonal surrogates for J_{G}^* J_{G}, Frobenius-residual pseudoinverse methods, and Riemannian manifold constraint. Within this design space, a gradient-statistics-aware {F}_t paired with a closed-form factor-space solve at {O}((m+n)r) memory remains underexplored. We propose AdaPreLoRA, which fills this gap by adopting the Adafactor diagonal Kronecker preconditioner {H}_t on {W} and selecting from the resulting factor-space solution family the element minimizing an {H}_t-weighted imbalance between the two factor contributions; by construction, the resulting factor update is the closest LoRA approximation to the preconditioned {W}-space direction under the {H}_t-weighted norm. Across GPT-2 (E2E), Mistral-7B and Qwen2-7B (GLUE, ARC, GSM8K), and diffusion-model personalization, AdaPreLoRA is competitive with or improves over a representative set of LoRA optimizers while keeping peak GPU memory at the LoRA optimizer level.

  • 3 authors
·
May 8 1

Tessellations and Speiser graphs arising from meromorphic functions on simply connected Riemann surfaces

Motivated by W. P. Thurston, we ask: What is the shape of a meromorphic function on a simply connected Riemann surface Ω_z? We consider Speiser functions, i.e. meromorphic functions on a simply connected Riemann surface, that have a finite number q at least 2 of singular (critical or asymptotic) values. As a first result, we make precise the correspondence between: Speiser functions w(z), Speiser Riemann surfaces R_w(z), Speiser q-tessellation, and analytic Speiser graphs of index q. As the second main result, we characterize tessellations with alternating colors (equivalently abstract pre-Speiser graphs) that are realized by Speiser functions on Ω_z. The characterization is in terms of the q-regular extension problem of bipartite planar graphs. As third main results, the Speiser Riemann surface R_w(z) can be constructed by isometric glueing of a finite number of types of sheets, where each sheet is a maximal domain of single-valuedness of the inverse of w(z). Furthermore, a unique decomposition of R_w(z) into maximal logarithmic towers and a soul is provided. Using vector fields we recognize that logarithmic towers come in two flavors: exponential or h-tangent blocks, directly related to the exponential or the hyperbolic tangent functions on the upper half plane. The surface R_w(z) of a finite Speiser function is characterized by surgery of a rational block and a finite number of exponential or h-tangent blocks.

  • 2 authors
·
Jan 30

Hierarchical Attention via Domain Decomposition

We propose a hierarchical attention mechanism based on two-level overlapping Schwarz domain decomposition. The method is motivated by the observation that two-level Schwarz domain decomposition methods combine local subdomain corrections with a coarse level that communicates global, long-range information. We test its usefulness in the context of finite-dimensional operator learning using a simple, one-dimensional diffusion problem with homogeneous Dirichlet boundary conditions. Although elementary, this problem provides a controlled sequence-to-sequence setting in which the exact nonlocal solution operator is known. After discretization, learning the solution operator amounts to approximating the inverse of a symmetric positive definite matrix. As a baseline, we use a global softmax-free low-rank attention operator of the form QK^T. The proposed construction replaces this dense global factorization by a two-level additive structure: local low-rank attention blocks on overlapping subdomains are combined with a coarse attention block. The resulting operator has the form $M_θ^{-1} = ΦQ_0 K_0^T Φ^T + sum_{i=1}^{N} R_i^T D_i^{1/2} Q_i K_i^T D_i^{1/2} R_i. Here R_i restricts to an overlapping subdomain, D_i is a partition-of-unity weight, and Φ$ is a coarse interpolation (or prolongation) matrix. Numerical experiments for synthetic Fourier right-hand sides indicate that the domain-decomposition attention operator is able to train faster and can give more accurate approximations than a global low-rank attention baseline while using significantly fewer parameters.

  • 2 authors
·
Jun 15