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Aug 14

A skeletonization algorithm for gradient-based optimization

The skeleton of a digital image is a compact representation of its topology, geometry, and scale. It has utility in many computer vision applications, such as image description, segmentation, and registration. However, skeletonization has only seen limited use in contemporary deep learning solutions. Most existing skeletonization algorithms are not differentiable, making it impossible to integrate them with gradient-based optimization. Compatible algorithms based on morphological operations and neural networks have been proposed, but their results often deviate from the geometry and topology of the true medial axis. This work introduces the first three-dimensional skeletonization algorithm that is both compatible with gradient-based optimization and preserves an object's topology. Our method is exclusively based on matrix additions and multiplications, convolutional operations, basic non-linear functions, and sampling from a uniform probability distribution, allowing it to be easily implemented in any major deep learning library. In benchmarking experiments, we prove the advantages of our skeletonization algorithm compared to non-differentiable, morphological, and neural-network-based baselines. Finally, we demonstrate the utility of our algorithm by integrating it with two medical image processing applications that use gradient-based optimization: deep-learning-based blood vessel segmentation, and multimodal registration of the mandible in computed tomography and magnetic resonance images.

  • 9 authors
·
Sep 5, 2023

One Head Eight Arms: Block Matrix based Low Rank Adaptation for CLIP-based Few-Shot Learning

Recent advancements in fine-tuning Vision-Language Foundation Models (VLMs) have garnered significant attention for their effectiveness in downstream few-shot learning tasks.While these recent approaches exhibits some performance improvements, they often suffer from excessive training parameters and high computational costs. To address these challenges, we propose a novel Block matrix-based low-rank adaptation framework, called Block-LoRA, for fine-tuning VLMs on downstream few-shot tasks. Inspired by recent work on Low-Rank Adaptation (LoRA), Block-LoRA partitions the original low-rank decomposition matrix of LoRA into a series of sub-matrices while sharing all down-projection sub-matrices. This structure not only reduces the number of training parameters, but also transforms certain complex matrix multiplication operations into simpler matrix addition, significantly lowering the computational cost of fine-tuning. Notably, Block-LoRA enables fine-tuning CLIP on the ImageNet few-shot benchmark using a single 24GB GPU. We also show that Block-LoRA has the more tighter bound of generalization error than vanilla LoRA. Without bells and whistles, extensive experiments demonstrate that Block-LoRA achieves competitive performance compared to state-of-the-art CLIP-based few-shot methods, while maintaining a low training parameters count and reduced computational overhead.

  • 5 authors
·
Jan 28, 2025

Orthogonal Matrices for MBAT Vector Symbolic Architectures, and a "Soft" VSA Representation for JSON

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

  • 1 authors
·
Feb 8, 2022

Learning to Relax: Setting Solver Parameters Across a Sequence of Linear System Instances

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

  • 4 authors
·
Oct 3, 2023

Algorithm-assisted discovery of an intrinsic order among mathematical constants

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

  • 9 authors
·
Aug 22, 2023

Low Rank Matrix Completion via Robust Alternating Minimization in Nearly Linear Time

Given a matrix Min R^{mtimes n}, the low rank matrix completion problem asks us to find a rank-k approximation of M as UV^top for Uin R^{mtimes k} and Vin R^{ntimes k} by only observing a few entries specified by a set of entries Omegasubseteq [m]times [n]. In particular, we examine an approach that is widely used in practice -- the alternating minimization framework. Jain, Netrapalli and Sanghavi~jns13 showed that if M has incoherent rows and columns, then alternating minimization provably recovers the matrix M by observing a nearly linear in n number of entries. While the sample complexity has been subsequently improved~glz17, alternating minimization steps are required to be computed exactly. This hinders the development of more efficient algorithms and fails to depict the practical implementation of alternating minimization, where the updates are usually performed approximately in favor of efficiency. In this paper, we take a major step towards a more efficient and error-robust alternating minimization framework. To this end, we develop an analytical framework for alternating minimization that can tolerate moderate amount of errors caused by approximate updates. Moreover, our algorithm runs in time widetilde O(|Omega| k), which is nearly linear in the time to verify the solution while preserving the sample complexity. This improves upon all prior known alternating minimization approaches which require widetilde O(|Omega| k^2) time.

  • 4 authors
·
Feb 21, 2023

Concatenated Matrix SVD: Compression Bounds, Incremental Approximation, and Error-Constrained Clustering

Large collections of matrices arise throughout modern machine learning, signal processing, and scientific computing, where they are commonly compressed by concatenation followed by truncated singular value decomposition (SVD). This strategy enables parameter sharing and efficient reconstruction and has been widely adopted across domains ranging from multi-view learning and signal processing to neural network compression. However, it leaves a fundamental question unanswered: which matrices can be safely concatenated and compressed together under explicit reconstruction error constraints? Existing approaches rely on heuristic or architecture-specific grouping and provide no principled guarantees on the resulting SVD approximation error. In the present work, we introduce a theory-driven framework for compression-aware clustering of matrices under SVD compression constraints. Our analysis establishes new spectral bounds for horizontally concatenated matrices, deriving global upper bounds on the optimal rank-r SVD reconstruction error from lower bounds on singular value growth. The first bound follows from Weyl-type monotonicity under blockwise extensions, while the second leverages singular values of incremental residuals to yield tighter, per-block guarantees. We further develop an efficient approximate estimator based on incremental truncated SVD that tracks dominant singular values without forming the full concatenated matrix. Therefore, we propose three clustering algorithms that merge matrices only when their predicted joint SVD compression error remains below a user-specified threshold. The algorithms span a trade-off between speed, provable accuracy, and scalability, enabling compression-aware clustering with explicit error control. Code is available online.

  • 1 authors
·
Jan 12

Exploring the Performance Improvement of Tensor Processing Engines through Transformation in the Bit-weight Dimension of MACs

General matrix-matrix multiplication (GEMM) is a cornerstone of AI computations, making tensor processing engines (TPEs) increasingly critical in GPUs and domain-specific architectures. Existing architectures primarily optimize dataflow or operand reuse strategies. However, considering the interaction between matrix multiplication and multiply-accumulators (MACs) offers greater optimization potential. This work introduces a novel hardware perspective on matrix multiplication, focusing on the bit-weight dimension of MACs. We propose a finer-grained TPE notation using matrix triple loops as an example, introducing new methods for designing and optimizing PE microarchitectures. Based on this notation and its transformations, we propose four optimization techniques that improve timing, area, and power consumption. Implementing our design in RTL using the SMIC-28nm process, we evaluate its effectiveness across four classic TPE architectures: systolic array, 3D-Cube, multiplier-adder tree, and 2D-Matrix. Our techniques achieve area efficiency improvements of 1.27x, 1.28x, 1.56x, and 1.44x, and energy efficiency gains of 1.04x, 1.56x, 1.49x, and 1.20x, respectively. Applied to a bit-slice architecture, our approach achieves a 12.10x improvement in energy efficiency and 2.85x in area efficiency compared to Laconic. Our Verilog HDL code, along with timing, area, and power reports, is available at https://github.com/wqzustc/High-Performance-Tensor-Processing-Engines

  • 12 authors
·
Mar 8, 2025

Learning Fast Algorithms for Linear Transforms Using Butterfly Factorizations

Fast linear transforms are ubiquitous in machine learning, including the discrete Fourier transform, discrete cosine transform, and other structured transformations such as convolutions. All of these transforms can be represented by dense matrix-vector multiplication, yet each has a specialized and highly efficient (subquadratic) algorithm. We ask to what extent hand-crafting these algorithms and implementations is necessary, what structural priors they encode, and how much knowledge is required to automatically learn a fast algorithm for a provided structured transform. Motivated by a characterization of fast matrix-vector multiplication as products of sparse matrices, we introduce a parameterization of divide-and-conquer methods that is capable of representing a large class of transforms. This generic formulation can automatically learn an efficient algorithm for many important transforms; for example, it recovers the O(N log N) Cooley-Tukey FFT algorithm to machine precision, for dimensions N up to 1024. Furthermore, our method can be incorporated as a lightweight replacement of generic matrices in machine learning pipelines to learn efficient and compressible transformations. On a standard task of compressing a single hidden-layer network, our method exceeds the classification accuracy of unconstrained matrices on CIFAR-10 by 3.9 points -- the first time a structured approach has done so -- with 4X faster inference speed and 40X fewer parameters.

  • 5 authors
·
Dec 28, 2020

Introduction to Machine Learning

This book introduces the mathematical foundations and techniques that lead to the development and analysis of many of the algorithms that are used in machine learning. It starts with an introductory chapter that describes notation used throughout the book and serve at a reminder of basic concepts in calculus, linear algebra and probability and also introduces some measure theoretic terminology, which can be used as a reading guide for the sections that use these tools. The introductory chapters also provide background material on matrix analysis and optimization. The latter chapter provides theoretical support to many algorithms that are used in the book, including stochastic gradient descent, proximal methods, etc. After discussing basic concepts for statistical prediction, the book includes an introduction to reproducing kernel theory and Hilbert space techniques, which are used in many places, before addressing the description of various algorithms for supervised statistical learning, including linear methods, support vector machines, decision trees, boosting, or neural networks. The subject then switches to generative methods, starting with a chapter that presents sampling methods and an introduction to the theory of Markov chains. The following chapter describe the theory of graphical models, an introduction to variational methods for models with latent variables, and to deep-learning based generative models. The next chapters focus on unsupervised learning methods, for clustering, factor analysis and manifold learning. The final chapter of the book is theory-oriented and discusses concentration inequalities and generalization bounds.

  • 1 authors
·
Sep 4, 2024

A Nearly-Optimal Bound for Fast Regression with ell_infty Guarantee

Given a matrix Ain R^{ntimes d} and a vector bin R^n, we consider the regression problem with ell_infty guarantees: finding a vector x'in R^d such that |x'-x^*|_infty leq epsilon{d}cdot |Ax^*-b|_2cdot |A^dagger| where x^*=argmin_{xin R^d}|Ax-b|_2. One popular approach for solving such ell_2 regression problem is via sketching: picking a structured random matrix Sin R^{mtimes n} with mll n and SA can be quickly computed, solve the ``sketched'' regression problem argmin_{xin R^d} |SAx-Sb|_2. In this paper, we show that in order to obtain such ell_infty guarantee for ell_2 regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with m=epsilon^{-2}dlog^3(n/delta) such that solving the sketched regression problem gives the ell_infty guarantee, with probability at least 1-delta. Moreover, the matrix SA can be computed in time O(ndlog n). Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in d rows, m=Omega(epsilon^{-2}d^{1+gamma}) for gamma=Theta(frac{loglog n{log d}}) is required. We also develop a novel analytical framework for ell_infty guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

  • 4 authors
·
Feb 1, 2023

Orthogonal Model Merging

Merging finetuned Large Language Models (LLMs) has become increasingly important for integrating diverse capabilities into a single unified model. However, prevailing model merging methods rely on linear arithmetic in Euclidean space, which often destroys the intrinsic geometric properties of pretrained weights, such as hyperspherical energy. To address this, we propose Orthogonal Model Merging (OrthoMerge), a method that performs merging operations on the Riemannian manifold formed by the orthogonal group to preserve the geometric structure of the model's weights. By mapping task-specific orthogonal matrices learned by Orthogonal Finetuning (OFT) to the Lie algebra, OrthoMerge enables a principled yet efficient integration that takes into account both the direction and intensity of adaptations. In addition to directly leveraging orthogonal matrices obtained by OFT, we further extend this approach to general models finetuned with non-OFT methods (i.e., low-rank finetuning, full finetuning) via an Orthogonal-Residual Decoupling strategy. This technique extracts the orthogonal components of expert models by solving the orthogonal Procrustes problem, which are then merged on the manifold of the orthogonal group, while the remaining linear residuals are processed through standard additive merging. Extensive empirical results demonstrate the effectiveness of OrthoMerge in mitigating catastrophic forgetting and maintaining model performance across diverse tasks.

  • 3 authors
·
Feb 4

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

DeepJEB++: Foundation Model-Driven Large-Scale 3D Engineering Dataset via 2D Latent Space Augmentation

Data-driven engineering design is constrained by the lack of large-scale 3D datasets that pair geometry with physics-based performance labels. In particular, existing 3D data augmentation techniques have limitations in preserving subtle and diverse geometric variations, and it remains difficult to automate the subsequent simulation-labeling process, where boundary conditions vary depending on the generated geometry. We present DeepJEB++, a foundation-model-driven data-augmentation framework that expands a small seed set of jet engine brackets into a large, simulation-labeled 3D dataset under constrained resources. Our key idea is to augment in the data-rich 2D latent space, then transfer to 3D. In Stage 1, we fine-tune a pretrained 2D latent diffusion model on multi-view renders and synthesize novel views by latent interpolation, retaining manufacturable designs through a vision-language-model (VLM) quality filter. In Stage 2, the validated images are lifted to 3D meshes by a domain-adapted generative foundation model. In Stage 3, an automated pipeline recognizes the load and bolt interfaces on each mesh and assigns finite-element labels -- mass, stress, and displacement -- without manual intervention. We assess augmentation quality along three intrinsic axes: manufacturability, label fidelity against the SimJEB ground truth, and distributional consistency. Starting from fewer than 400 seed designs, DeepJEB++ yields 15,360 simulation-labeled 3D brackets -- a 40x expansion -- using a single GPU per stage. The dataset will be made publicly available to support reproducible engineering-AI research.

  • 7 authors
·
Jun 11

Finding Kissing Numbers with Game-theoretic Reinforcement Learning

Since Isaac Newton first studied the Kissing Number Problem in 1694, determining the maximal number of non-overlapping spheres around a central sphere has remained a fundamental challenge. This problem is the local analogue of Hilbert's 18th problem, bridging geometry, number theory, and information theory. Although significant progress has been made through lattices and codes, the irregularities of high-dimensional geometry, dimensional structure variability, and combinatorial explosion beyond Go limit the scalability and generality of existing methods. Here we model the problem as a two-player matrix completion game and train the reinforcement learning system, PackingStar, to play the games. The matrix entries represent pairwise cosines of sphere center vectors. One player fills entries while another corrects suboptimal ones to improve exploration quality, cooperatively maximizing the matrix size, corresponding to the kissing number. These matrices are decomposed into representative substructures, providing diverse bases and structural constraints that steer subsequent games and make extremely large spaces tractable. PackingStar surpasses records from dimensions 25 to 31 and sets new lower bounds for generalized kissing numbers under various angular constraints. It achieves the first breakthrough beyond rational structures from 1971 in 13 dimensions and discovers over 6000 new structures in other dimensions. Notably, some configurations challenge long-held antipodal paradigms, revealing algebraic correspondences with finite simple groups as well as geometric relationships across dimensions. Inspired by these patterns, humans devised further improved constructions. These results demonstrate AI's power to explore high-dimensional spaces beyond human intuition via extreme-scale reinforcement learning and open new pathways for the Kissing Number Problem and broader geometry research.

  • 9 authors
·
Feb 10

A Deep Conjugate Direction Method for Iteratively Solving Linear Systems

We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. These systems arise from many problems in applied science, e.g., in numerical methods for partial differential equations. Algorithms for approximating the solution to these systems are often the bottleneck in problems that require their solution, particularly for modern applications that require many millions of unknowns. Indeed, numerical linear algebra techniques have been investigated for many decades to alleviate this computational burden. Recently, data-driven techniques have also shown promise for these problems. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search directions. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We train the network using unsupervised learning with a loss function equal to the L^2 difference between an input and the system matrix times the network evaluation, where the unspecified constant in the approximate inverse is accounted for. We demonstrate the efficacy of our approach on spatially discretized Poisson equations with millions of degrees of freedom arising in computational fluid dynamics applications. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.

  • 6 authors
·
May 22, 2022

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