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Sep 18

Generalizing Dynamic Mode Decomposition: Balancing Accuracy and Expressiveness in Koopman Approximations

This paper tackles the data-driven approximation of unknown dynamical systems using Koopman-operator methods. Given a dictionary of functions, these methods approximate the projection of the action of the operator on the finite-dimensional subspace spanned by the dictionary. We propose the Tunable Symmetric Subspace Decomposition algorithm to refine the dictionary, balancing its expressiveness and accuracy. Expressiveness corresponds to the ability of the dictionary to describe the evolution of as many observables as possible and accuracy corresponds to the ability to correctly predict their evolution. Based on the observation that Koopman-invariant subspaces give rise to exact predictions, we reason that prediction accuracy is a function of the degree of invariance of the subspace generated by the dictionary and provide a data-driven measure to measure invariance proximity. The proposed algorithm iteratively prunes the initial functional space to identify a refined dictionary of functions that satisfies the desired level of accuracy while retaining as much of the original expressiveness as possible. We provide a full characterization of the algorithm properties and show that it generalizes both Extended Dynamic Mode Decomposition and Symmetric Subspace Decomposition. Simulations on planar systems show the effectiveness of the proposed methods in producing Koopman approximations of tunable accuracy that capture relevant information about the dynamical system.

  • 2 authors
·
Feb 26, 2023

Limits and Powers of Koopman Learning

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

  • 3 authors
·
Jul 8, 2024

Information Shapes Koopman Representation

The Koopman operator provides a powerful framework for modeling dynamical systems and has attracted growing interest from the machine learning community. However, its infinite-dimensional nature makes identifying suitable finite-dimensional subspaces challenging, especially for deep architectures. We argue that these difficulties come from suboptimal representation learning, where latent variables fail to balance expressivity and simplicity. This tension is closely related to the information bottleneck (IB) dilemma: constructing compressed representations that are both compact and predictive. Rethinking Koopman learning through this lens, we demonstrate that latent mutual information promotes simplicity, yet an overemphasis on simplicity may cause latent space to collapse onto a few dominant modes. In contrast, expressiveness is sustained by the von Neumann entropy, which prevents such collapse and encourages mode diversity. This insight leads us to propose an information-theoretic Lagrangian formulation that explicitly balances this tradeoff. Furthermore, we propose a new algorithm based on the Lagrangian formulation that encourages both simplicity and expressiveness, leading to a stable and interpretable Koopman representation. Beyond quantitative evaluations, we further visualize the learned manifolds under our representations, observing empirical results consistent with our theoretical predictions. Finally, we validate our approach across a diverse range of dynamical systems, demonstrating improved performance over existing Koopman learning methods. The implementation is publicly available at https://github.com/Wenxuan52/InformationKoopman.

  • 7 authors
·
Oct 14, 2025

Deep Embedded Multiplicative DMD for Algebra-Preserving Koopman Learning

Koopman theory turns nonlinear dynamics into a linear spectral problem. In computation, however, everything depends on a hard finite-dimensional choice: the observables must be expressive, nearly invariant under the dynamics, and, ideally, compatible with composition. Deep Koopman methods learn flexible coordinates, whereas structure-preserving methods enforce operator identities on fixed dictionaries. We combine these ideas by introducing Deep Embedded Multiplicative Dynamic Mode Decomposition (DeepMDMD), a method that learns a latent space and a partition of it, while enforcing the Koopman product rule as an exact algebraic constraint. Training alternates between an exact multiplicative operator update and a differentiable latent-clustering step that promotes Koopman closure. The result is a finite transition map on learned latent cells. Its nonzero spectrum lies on the unit circle, its dictionary is shaped by the dynamics rather than by ambient geometry, and forecasts are made in latent coordinates before being decoded to physical space. Across Hamiltonian, chaotic, and fluid examples, DeepMDMD learns dictionaries that are far more compact and dynamically coherent than those produced by geometric MDMD partitions. It reduces spectral pollution, reveals richer continuous-spectrum structure, and gives stable forecasts under severe noise. In high-dimensional flows, including a 158,624-dimensional cylinder wake and a noisy Re=20,000 lid-driven cavity, it preserves coherent structures and long-time spectral statistics where state-space MDMD fails. These results suggest a practical rule for Koopman learning: learn the coordinates, constrain the algebra.

Get the Best of Both Worlds: Improving Accuracy and Transferability by Grassmann Class Representation

We generalize the class vectors found in neural networks to linear subspaces (i.e.~points in the Grassmann manifold) and show that the Grassmann Class Representation (GCR) enables the simultaneous improvement in accuracy and feature transferability. In GCR, each class is a subspace and the logit is defined as the norm of the projection of a feature onto the class subspace. We integrate Riemannian SGD into deep learning frameworks such that class subspaces in a Grassmannian are jointly optimized with the rest model parameters. Compared to the vector form, the representative capability of subspaces is more powerful. We show that on ImageNet-1K, the top-1 error of ResNet50-D, ResNeXt50, Swin-T and Deit3-S are reduced by 5.6%, 4.5%, 3.0% and 3.5%, respectively. Subspaces also provide freedom for features to vary and we observed that the intra-class feature variability grows when the subspace dimension increases. Consequently, we found the quality of GCR features is better for downstream tasks. For ResNet50-D, the average linear transfer accuracy across 6 datasets improves from 77.98% to 79.70% compared to the strong baseline of vanilla softmax. For Swin-T, it improves from 81.5% to 83.4% and for Deit3, it improves from 73.8% to 81.4%. With these encouraging results, we believe that more applications could benefit from the Grassmann class representation. Code is released at https://github.com/innerlee/GCR.

  • 3 authors
·
Aug 3, 2023

Approximating the Top Eigenvector in Random Order Streams

When rows of an n times d matrix A are given in a stream, we study algorithms for approximating the top eigenvector of the matrix {A}^TA (equivalently, the top right singular vector of A). We consider worst case inputs A but assume that the rows are presented to the streaming algorithm in a uniformly random order. We show that when the gap parameter R = σ_1(A)^2/σ_2(A)^2 = Ω(1), then there is a randomized algorithm that uses O(h cdot d cdot polylog(d)) bits of space and outputs a unit vector v that has a correlation 1 - O(1/R) with the top eigenvector v_1. Here h denotes the number of heavy rows in the matrix, defined as the rows with Euclidean norm at least |{A}|_F/d cdot operatorname{polylog(d)}. We also provide a lower bound showing that any algorithm using O(hd/R) bits of space can obtain at most 1 - Ω(1/R^2) correlation with the top eigenvector. Thus, parameterizing the space complexity in terms of the number of heavy rows is necessary for high accuracy solutions. Our results improve upon the R = Ω(log n cdot log d) requirement in a recent work of Price and Xun (FOCS 2024). We note that the algorithm of Price and Xun works for arbitrary order streams whereas our algorithm requires a stronger assumption that the rows are presented in a uniformly random order. We additionally show that the gap requirements in their analysis can be brought down to R = Ω(log^2 d) for arbitrary order streams and R = Ω(log d) for random order streams. The requirement of R = Ω(log d) for random order streams is nearly tight for their analysis as we obtain a simple instance with R = Ω(log d/loglog d) for which their algorithm, with any fixed learning rate, cannot output a vector approximating the top eigenvector v_1.

  • 2 authors
·
Dec 16, 2024

Koopa: Learning Non-stationary Time Series Dynamics with Koopman Predictors

Real-world time series are characterized by intrinsic non-stationarity that poses a principal challenge for deep forecasting models. While previous models suffer from complicated series variations induced by changing temporal distribution, we tackle non-stationary time series with modern Koopman theory that fundamentally considers the underlying time-variant dynamics. Inspired by Koopman theory of portraying complex dynamical systems, we disentangle time-variant and time-invariant components from intricate non-stationary series by Fourier Filter and design Koopman Predictor to advance respective dynamics forward. Technically, we propose Koopa as a novel Koopman forecaster composed of stackable blocks that learn hierarchical dynamics. Koopa seeks measurement functions for Koopman embedding and utilizes Koopman operators as linear portraits of implicit transition. To cope with time-variant dynamics that exhibits strong locality, Koopa calculates context-aware operators in the temporal neighborhood and is able to utilize incoming ground truth to scale up forecast horizon. Besides, by integrating Koopman Predictors into deep residual structure, we ravel out the binding reconstruction loss in previous Koopman forecasters and achieve end-to-end forecasting objective optimization. Compared with the state-of-the-art model, Koopa achieves competitive performance while saving 77.3% training time and 76.0% memory.

  • 4 authors
·
May 30, 2023

Robust Online Residual Refinement via Koopman-Guided Dynamics Modeling

Imitation learning (IL) enables efficient skill acquisition from demonstrations but often struggles with long-horizon tasks and high-precision control due to compounding errors. Residual policy learning offers a promising, model-agnostic solution by refining a base policy through closed-loop corrections. However, existing approaches primarily focus on local corrections to the base policy, lacking a global understanding of state evolution, which limits robustness and generalization to unseen scenarios. To address this, we propose incorporating global dynamics modeling to guide residual policy updates. Specifically, we leverage Koopman operator theory to impose linear time-invariant structure in a learned latent space, enabling reliable state transitions and improved extrapolation for long-horizon prediction and unseen environments. We introduce KORR (Koopman-guided Online Residual Refinement), a simple yet effective framework that conditions residual corrections on Koopman-predicted latent states, enabling globally informed and stable action refinement. We evaluate KORR on long-horizon, fine-grained robotic furniture assembly tasks under various perturbations. Results demonstrate consistent gains in performance, robustness, and generalization over strong baselines. Our findings further highlight the potential of Koopman-based modeling to bridge modern learning methods with classical control theory.

  • 5 authors
·
Sep 15, 2025

Unsupervised Manifold Linearizing and Clustering

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

  • 6 authors
·
Jan 4, 2023

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

Sharper Bounds for ell_p Sensitivity Sampling

In large scale machine learning, random sampling is a popular way to approximate datasets by a small representative subset of examples. In particular, sensitivity sampling is an intensely studied technique which provides provable guarantees on the quality of approximation, while reducing the number of examples to the product of the VC dimension d and the total sensitivity mathfrak S in remarkably general settings. However, guarantees going beyond this general bound of mathfrak S d are known in perhaps only one setting, for ell_2 subspace embeddings, despite intense study of sensitivity sampling in prior work. In this work, we show the first bounds for sensitivity sampling for ell_p subspace embeddings for pneq 2 that improve over the general mathfrak S d bound, achieving a bound of roughly mathfrak S^{2/p} for 1leq p<2 and mathfrak S^{2-2/p} for 2<p<infty. For 1leq p<2, we show that this bound is tight, in the sense that there exist matrices for which mathfrak S^{2/p} samples is necessary. Furthermore, our techniques yield further new results in the study of sampling algorithms, showing that the root leverage score sampling algorithm achieves a bound of roughly d for 1leq p<2, and that a combination of leverage score and sensitivity sampling achieves an improved bound of roughly d^{2/p}mathfrak S^{2-4/p} for 2<p<infty. Our sensitivity sampling results yield the best known sample complexity for a wide class of structured matrices that have small ell_p sensitivity.

  • 2 authors
·
Jun 1, 2023

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

TrajBooster: Boosting Humanoid Whole-Body Manipulation via Trajectory-Centric Learning

Recent Vision-Language-Action models show potential to generalize across embodiments but struggle to quickly align with a new robot's action space when high-quality demonstrations are scarce, especially for bipedal humanoids. We present TrajBooster, a cross-embodiment framework that leverages abundant wheeled-humanoid data to boost bipedal VLA. Our key idea is to use end-effector trajectories as a morphology-agnostic interface. TrajBooster (i) extracts 6D dual-arm end-effector trajectories from real-world wheeled humanoids, (ii) retargets them in simulation to Unitree G1 with a whole-body controller trained via a heuristic-enhanced harmonized online DAgger to lift low-dimensional trajectory references into feasible high-dimensional whole-body actions, and (iii) forms heterogeneous triplets that couple source vision/language with target humanoid-compatible actions to post-pre-train a VLA, followed by only 10 minutes of teleoperation data collection on the target humanoid domain. Deployed on Unitree G1, our policy achieves beyond-tabletop household tasks, enabling squatting, cross-height manipulation, and coordinated whole-body motion with markedly improved robustness and generalization. Results show that TrajBooster allows existing wheeled-humanoid data to efficiently strengthen bipedal humanoid VLA performance, reducing reliance on costly same-embodiment data while enhancing action space understanding and zero-shot skill transfer capabilities. For more details, For more details, please refer to our https://jiachengliu3.github.io/TrajBooster/.

  • 11 authors
·
Sep 15, 2025

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

Ground State Preparation via Dynamical Cooling

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which can be challenging for large, strongly-correlated systems. This issue has motivated the study of physically-inspired dynamical approaches such as thermodynamic cooling. In this work, we introduce a ground-state preparation algorithm based on the simulation of quantum dynamics. Our main insight is to transform the Hamiltonian by a shifted sign function via quantum signal processing, effectively mapping eigenvalues into positive and negative subspaces separated by a large gap. This automatically ensures that all states within each subspace conserve energy with respect to the transformed Hamiltonian. Subsequent time-evolution with a perturbed Hamiltonian induces transitions to lower-energy states while preventing unwanted jumps to higher energy states. The approach does not rely on a priori knowledge of energy gaps and requires no additional qubits to model a bath. Furthermore, it makes mathcal{O}(d^{,3/2}/epsilon) queries to the time-evolution operator of the system and mathcal{O}(d^{,3/2}) queries to a block-encoding of the perturbation, for d cooling steps and an epsilon-accurate energy resolution. Our results provide a framework for combining quantum signal processing and Hamiltonian simulation to design heuristic quantum algorithms for ground-state preparation.

  • 4 authors
·
Apr 8, 2024

Multi-Rate Distributed Unscented Kalman Filtering Under Collective Detectability

We develop a multi-rate distributed unscented Kalman filter for nonlinear networks without a fusion center. Local continuous-discrete UKFs run on a common base grid, update at their own sampling instants, and exchange estimates within one-hop neighborhoods. Under a windowed collective-detectability condition, diffusion of information matrices gives uniformly bounded quotient covariances although no individual node need be observable. When the collectively invisible subspace is trivial and the statistical-linearization discrepancies satisfy an explicit coherence bound, the information weighted fused mean yields exponentially bounded mean-square errors without a contraction-mixing condition. This contrasts with the arithmetic diffusiojn mean, which requires one. A distributed H_{infty} variant uses a fixed attenuation penalty. A finite-prefix feasibility check and the one-hop detectability Gramian yield a uniform regularized-information margin - an explicit local-contraction-mixing condition then yields mean-square error boundedness. The developed methods are tested on a stochastic nonlinear benchmark and a three-inertia network in which every node misses at least one mode. Information diffusion is more accurate than five-round covariance-averaging consensus at one fifth of its communication. It remains stable under 3:2 multi-rate sampling, where the covariance-averaging consensus and the diffusion mean both diverge, and it keeps the quotient covariances bounded.

  • 2 authors
·
Aug 10

Continuous Subspace Optimization for Continual Learning

Continual learning aims to learn multiple tasks sequentially while preserving prior knowledge, but faces the challenge of catastrophic forgetting when adapting to new tasks. Recently, approaches leveraging pre-trained models have gained increasing popularity in mitigating this issue, due to the strong generalization ability of foundation models. To adjust pre-trained models for new tasks, existing methods usually employ low-rank adaptation, which restricts parameter updates to a fixed low-rank subspace. However, constraining the optimization space inherently compromises the model's learning capacity, resulting in inferior performance. To address this limitation, we propose Continuous Subspace Optimization for Continual Learning (CoSO) to fine-tune the model in a series of subspaces rather than a single one. These sequential subspaces are dynamically determined through the singular value decomposition of the gradients. CoSO updates the model by projecting gradients onto these subspaces, ensuring memory-efficient optimization. To mitigate forgetting, the optimization subspace of each task is constrained to be orthogonal to the historical task subspace. During task learning, CoSO maintains a task-specific component that captures the critical update directions for the current task. Upon completing a task, this component is used to update the historical task subspace, laying the groundwork for subsequent learning. Extensive experiments on multiple datasets demonstrate that CoSO significantly outperforms state-of-the-art methods, especially in challenging scenarios with long task sequences.

  • 5 authors
·
May 16, 2025

Row-Stochastic Matrices Can Provably Outperform Doubly Stochastic Matrices in Decentralized Learning

Decentralized learning often involves a weighted global loss with heterogeneous node weights λ. We revisit two natural strategies for incorporating these weights: (i) embedding them into the local losses to retain a uniform weight (and thus a doubly stochastic matrix), and (ii) keeping the original losses while employing a λ-induced row-stochastic matrix. Although prior work shows that both strategies target the same λ-weighted global loss, it remains unclear whether the Euclidean-space guarantees are tight and what fundamentally differentiates their behaviors. To clarify this, we develop a weighted Hilbert-space framework L^2(λ;R^d) and obtain convergence rates that are strictly tighter than those from standard Euclidean analysis. In this geometry, the row-stochastic matrix becomes self-adjoint whereas the doubly stochastic one does not, creating additional penalty terms that amplify consensus error, thereby slowing convergence. Consequently, the difference in convergence arises not only from spectral gaps but also from these penalty terms. We then derive sufficient conditions under which the row-stochastic design converges faster even with a smaller spectral gap. Finally, by using a Rayleigh-quotient and Loewner-order eigenvalue comparison, we further obtain topology conditions that guarantee this advantage and yield practical topology-design guidelines.

  • 5 authors
·
May 28

Generative Modeling of Regular and Irregular Time Series Data via Koopman VAEs

Generating realistic time series data is important for many engineering and scientific applications. Existing work tackles this problem using generative adversarial networks (GANs). However, GANs are often unstable during training, and they can suffer from mode collapse. While variational autoencoders (VAEs) are known to be more robust to these issues, they are (surprisingly) less often considered for time series generation. In this work, we introduce Koopman VAE (KVAE), a new generative framework that is based on a novel design for the model prior, and that can be optimized for either regular and irregular training data. Inspired by Koopman theory, we represent the latent conditional prior dynamics using a linear map. Our approach enhances generative modeling with two desired features: (i) incorporating domain knowledge can be achieved by leverageing spectral tools that prescribe constraints on the eigenvalues of the linear map; and (ii) studying the qualitative behavior and stablity of the system can be performed using tools from dynamical systems theory. Our results show that KVAE outperforms state-of-the-art GAN and VAE methods across several challenging synthetic and real-world time series generation benchmarks. Whether trained on regular or irregular data, KVAE generates time series that improve both discriminative and predictive metrics. We also present visual evidence suggesting that KVAE learns probability density functions that better approximate empirical ground truth distributions.

  • 5 authors
·
Oct 4, 2023

Quantum complexity resource in Gaussian boson sampling: Core structure of the semidefinite program

We present a rigorous analysis of the algebraic and geometric structure of the quantum complexity resource of a system of bosonic modes in Gaussian boson sampling. This resource underlies the quantum advantage of the system: its photon-counting statistics require the evaluation of a hafnian of the resource covariance matrix, and that computation is #P-hard. The resource covariance matrix is the solution of a semidefinite program that extracts the minimum-trace physical quantum part of the total covariance matrix; the complementary part is positive semidefinite and can therefore be simulated classically. Earlier work characterized this resource only through the trace of the quantum part, equal to its photon number. We characterize the optimizer itself, as a quantum state and as a geometric object, beyond the scalar given by its trace. We prove that it is a unique pure Gaussian state and construct an explicit oracle map, obeying an algebraic Riccati identity, that reconstructs the resource. We prove that the full problem compresses exactly onto the active symplectic sector that the dual program support generates. The passive-diagonalizable states are solved in closed form, the first explicit solvable class, and the whole program is shown to be equivalent to a minimization over the symplectic group, that is, over the Siegel upper half-space. Together these results establish that the program determines a canonical localized pure Gaussian component of the resource, and they provide the structural foundation for its detailed analysis.

  • 2 authors
·
Jun 28

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

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

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

PAC Generalization via Invariant Representations

One method for obtaining generalizable solutions to machine learning tasks when presented with diverse training environments is to find invariant representations of the data. These are representations of the covariates such that the best model on top of the representation is invariant across training environments. In the context of linear Structural Equation Models (SEMs), invariant representations might allow us to learn models with out-of-distribution guarantees, i.e., models that are robust to interventions in the SEM. To address the invariant representation problem in a {\em finite sample} setting, we consider the notion of epsilon-approximate invariance. We study the following question: If a representation is approximately invariant with respect to a given number of training interventions, will it continue to be approximately invariant on a larger collection of unseen SEMs? This larger collection of SEMs is generated through a parameterized family of interventions. Inspired by PAC learning, we obtain finite-sample out-of-distribution generalization guarantees for approximate invariance that holds probabilistically over a family of linear SEMs without faithfulness assumptions. Our results show bounds that do not scale in ambient dimension when intervention sites are restricted to lie in a constant size subset of in-degree bounded nodes. We also show how to extend our results to a linear indirect observation model that incorporates latent variables.

  • 3 authors
·
May 30, 2022

Vietoris--Rips Shadow for Euclidean Graph Reconstruction

The shadow of an abstract simplicial complex K with vertices in R^N is a subset of R^N defined as the union of the convex hulls of simplices of K. The Vietoris--Rips complex of a metric space (S,d) at scale β is an abstract simplicial complex whose each k-simplex corresponds to (k+1) points of S within diameter β. In case Ssubsetmathbb R^2 and d(a,b)=|a-b| the standard Euclidean metric, the natural shadow projection of the Vietoris--Rips complex is already proved by Chambers et al. to induce isomorphisms on π_0 and π_1. We extend the result beyond the standard Euclidean distance on Ssubsetmathbb R^N to a family of path-based metrics, d^varepsilon_{S}. From the pairwise Euclidean distances of points in S, we introduce a family (parametrized by varepsilon) of path-based Vietoris--Rips complexes R^varepsilon_β(S) for a scale β>0. If SsubsetR^2 is Hausdorff-close to a planar Euclidean graph G, we provide quantitative bounds on scales β,varepsilon for the shadow projection map of the Vietoris--Rips complex of (S,d^varepsilon_S) at scale β to induce π_1-isomorphism. This paper first studies the homotopy-type recovery of Gsubsetmathbb R^N using the abstract Vietoris--Rips complex of a Hausdorff-close sample S under the d^varepsilon_S metric. Then, our result on the π_1-isomorphism induced by the shadow projection lends itself to providing also a geometrically close embedding for the reconstruction. Based on the length of the shortest loop and large-scale distortion of the embedding of G, we quantify the choice of a suitable sample density varepsilon and a scale β at which the shadow of R^varepsilon_β(S) is homotopy-equivalent and Hausdorff-close to G.

  • 3 authors
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Jun 2, 2025

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
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Apr 24, 2018

KromHC: Manifold-Constrained Hyper-Connections with Kronecker-Product Residual Matrices

The success of Hyper-Connections (HC) in neural networks (NN) has also highlighted issues related to its training instability and restricted scalability. The Manifold-Constrained Hyper-Connections (mHC) mitigate these challenges by projecting the residual connection space onto a Birkhoff polytope, however, it faces two issues: 1) its iterative Sinkhorn-Knopp (SK) algorithm does not always yield exact doubly stochastic residual matrices; 2) mHC incurs a prohibitive O(n^3C) parameter complexity with n as the width of the residual stream and C as the feature dimension. The recently proposed mHC-lite reparametrizes the residual matrix via the Birkhoff-von-Neumann theorem to guarantee double stochasticity, but also faces a factorial explosion in its parameter complexity, O left( nC cdot n! right). To address both challenges, we propose KromHC, which uses the Kronecker products of smaller doubly stochastic matrices to parametrize the residual matrix in mHC. By enforcing manifold constraints across the factor residual matrices along each mode of the tensorized residual stream, KromHC guarantees exact double stochasticity of the residual matrices while reducing parameter complexity to O(n^2C). Comprehensive experiments demonstrate that KromHC matches or even outperforms state-of-the-art (SOTA) mHC variants, while requiring significantly fewer trainable parameters. The code is available at https://github.com/wz1119/KromHC.

  • 4 authors
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Jan 29 5

Approximating Uniform Random Rotations by Two-Block Structured Hadamard Rotations in High Dimensions

Uniform random rotations are a useful primitive in applications such as fast Johnson-Lindenstrauss embeddings, kernel approximation, communication-efficient learning, and recent AI compression pipelines, but they are computationally expensive to generate and apply in high dimensions. A common practical replacement is repeated structured random rotations built from Walsh-Hadamard transforms and random sign diagonals. Applying the structured random rotation twice has been shown empirically to be useful, but the supporting theory is still limited. In this paper we study the approximation quality achieved when using this two-block structured Hadamard rotation. Our results are both positive and negative. On the positive side, we prove that every fixed coordinate of the two-block transform converges uniformly, over all inputs, to the corresponding coordinate of a uniformly rotated vector, with an explicit Kolmogorov-distance bound of order d^{-1/5}. On the negative side, we prove an explicit lower bound on the Wasserstein distance between the full vector distributions, showing that the two-block transform is not a globally accurate surrogate for a uniform random rotation in the worst case. For the extremal input used in the lower bound, we also prove a matching asymptotic upper bound, showing that the lower-bound scale is sharp for that input. Taken together, the results identify a clear separation between one-dimensional marginal behavior, where approximation improves with dimension, and full high-dimensional geometry, where a nonvanishing discrepancy remains. This provides a partial theoretical explanation for the empirical success of structured Hadamard rotations in some algorithms, while also clarifying the limitations of treating them as drop-in replacements for true uniform random rotations.

  • 2 authors
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Apr 24

Symmetry-Compatible Principle for Optimizer Design: Embeddings, LM Heads, SwiGLU MLPs, and MoE Routers

A striking geometric disparity has long persisted in the practice of deep learning. While modern neural network architectures naturally exhibit rich symmetry and equivariance properties, popular optimizers such as Adam and its variants operate inherently coordinate-wise, rendering them unable to respect the equivariance structures of the parameter space. We address this disparity by introducing a symmetry-compatible principle for optimizer design: the gradient update rule should be equivariant under the symmetry group acting on the corresponding weight block. Following this principle, we first provide a unified perspective on bi-orthogonally equivariant updates for general matrix layers, as employed by stochastic spectral descent, Muon, Scion, and polar gradient methods. More importantly, by moving from orthogonal groups to permutation and shared-shift symmetries, we derive symmetry-compatible optimizers for parameter blocks whose symmetries differ from those of general matrix layers: embedding and LM head matrices, SwiGLU MLP projections, and MoE router matrices. These constructions include one-sided spectral, row-norm, hybrid row-norm/spectral, row-aware, column-aware, centered row-norm, and left-spectral updates. They yield an end-to-end layerwise optimizer stack in which each major matrix-valued parameter class is assigned an update whose equivariance matches its symmetry group. We corroborate this principle through pre-training experiments on dense and sparse MoE language models, including Qwen3-0.6B-style, Gemma 3 1B-style, OLMoE-1B-7B-style, and downsized gpt-oss architectures. Across these experiments, symmetry-compatible updates consistently improve final validation loss, and in several cases training stability, over corresponding AdamW updates.

Statistical Inference and Quality Measures of KV Cache Quantisations Inspired by TurboQuant

We analyse three KV cache quantization schemes under a fair bit budget: KV (scalar MSE baseline), KQV (WHT + MSE on K; WHT + MSE + QJL on V), and QKQV (WHT + MSE + QJL on both). Starting from the Beta distribution on the hypersphere, we trace how QJL on K inflates inner product variance by π/2, which softmax amplifies nonlinearly via Jensen's inequality, and we present statistical inference and information metrics to highlight practical differences. Three empirical findings emerge. (1)~At n=4 (the practically dominant budget), KQV wins on every measure -- KL divergence, geometric K error, and 6D distance -- across all distributions and ranks tested. (2)~The K--V asymmetry is unconditional: QKQV is consistently worse than KQV in KL divergence at every budget and distribution. (3)~A budget-dependent crossover exists: QKQV achieves better geometric K reconstruction at n in {2,3,5}, KQV at n in {4,6}, invariant to rank and tail weight -- an open rate-distortion problem. KL(p_{ref} | p_{quant}), K-only by construction, bridges K direction error to routing corruption and output collapse. We present a sufficient condition when the Jensen mechanism amplifies superlinearly through the softmax. At n in {2,3,5}, QKQV wins geometrically because this assumption does not bind. At n=4, elevated K error and KL divergence for QKQV strongly suggest the Jensen mechanism is the operative cause of the crossover, providing a new perspective and explanation.

  • 1 authors
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Apr 26

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
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Oct 25, 2021

Decomposed Diffusion Sampler for Accelerating Large-Scale Inverse Problems

Krylov subspace, which is generated by multiplying a given vector by the matrix of a linear transformation and its successive powers, has been extensively studied in classical optimization literature to design algorithms that converge quickly for large linear inverse problems. For example, the conjugate gradient method (CG), one of the most popular Krylov subspace methods, is based on the idea of minimizing the residual error in the Krylov subspace. However, with the recent advancement of high-performance diffusion solvers for inverse problems, it is not clear how classical wisdom can be synergistically combined with modern diffusion models. In this study, we propose a novel and efficient diffusion sampling strategy that synergistically combines the diffusion sampling and Krylov subspace methods. Specifically, we prove that if the tangent space at a denoised sample by Tweedie's formula forms a Krylov subspace, then the CG initialized with the denoised data ensures the data consistency update to remain in the tangent space. This negates the need to compute the manifold-constrained gradient (MCG), leading to a more efficient diffusion sampling method. Our method is applicable regardless of the parametrization and setting (i.e., VE, VP). Notably, we achieve state-of-the-art reconstruction quality on challenging real-world medical inverse imaging problems, including multi-coil MRI reconstruction and 3D CT reconstruction. Moreover, our proposed method achieves more than 80 times faster inference time than the previous state-of-the-art method. Code is available at https://github.com/HJ-harry/DDS

  • 3 authors
·
Mar 10, 2023

Correspondence Free Multivector Cloud Registration using Conformal Geometric Algebra

We present, for the first time, a novel theoretical approach to address the problem of correspondence free multivector cloud registration in conformal geometric algebra. Such formalism achieves several favorable properties. Primarily, it forms an orthogonal automorphism that extends beyond the typical vector space to the entire conformal geometric algebra while respecting the multivector grading. Concretely, the registration can be viewed as an orthogonal transformation (\it i.e., scale, translation, rotation) belonging to SO(4,1) - group of special orthogonal transformations in conformal geometric algebra. We will show that such formalism is able to: (i) perform the registration without directly accessing the input multivectors. Instead, we use primitives or geometric objects provided by the conformal model - the multivectors, (ii) the geometric objects are obtained by solving a multilinear eigenvalue problem to find sets of eigenmultivectors. In this way, we can explicitly avoid solving the correspondences in the registration process. Most importantly, this offers rotation and translation equivariant properties between the input multivectors and the eigenmultivectors. Experimental evaluation is conducted in datasets commonly used in point cloud registration, to testify the usefulness of the approach with emphasis to ambiguities arising from high levels of noise. The code is available at https://github.com/Numerical-Geometric-Algebra/RegistrationGA . This work was submitted to the International Journal of Computer Vision and is currently under review.

  • 2 authors
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Jun 16, 2024

Mixture-of-Experts with Gradient Conflict-Driven Subspace Topology Pruning for Emergent Modularity

Mixture-of-Experts (MoE) architectures achieve parameter efficiency through conditional computation, yet contemporary designs suffer from two fundamental limitations: structural parameter isolation that causes catastrophic forgetting, and instruction-overfitting that degrades performance in instruction-free scenarios. We propose CDSP-MoE (Conflict-Driven Subspace Pruning MoE), a framework that addresses these issues through a paradigm shift from isolated expert containers to dynamic expert instantiation within a shared physical subspace. Grounded in the Universal Weight Subspace Hypothesis, CDSP-MoE maintains a super-complete parameter backbone where logical experts are carved out via learnable topology masks. Unlike prior work that uses gradient conflict for token reassignment or optimization surgery, we leverage it as a structural supervisory signal: a Lagged Gradient Game penalizes interfering connections in the shared manifold, enabling the topology to spontaneously prune conflicting pathways and evolve interpretable modular structures. Experimental results demonstrate that CDSP-MoE achieves robust content-driven routing without human-defined task labels, maintaining semantic specialization even under strict blind inference protocols where explicit instructions are absent. Code is available at: https://github.com/konodiodaaaaa1/Conflict-Driven-Subspace-Pruning-Mixture-of-Experts

  • 2 authors
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Dec 23, 2025

Real-Time Krylov Theory for Quantum Computing Algorithms

Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in extracting eigenstate information, but the full capabilities of such approaches are still not understood. In recent work, we developed the variational quantum phase estimation (VQPE) method, a compact and efficient real-time algorithm to extract eigenvalues on quantum hardware. Here we build on that work by theoretically and numerically exploring a generalized Krylov scheme where the Krylov subspace is constructed through a parametrized real-time evolution, which applies to the VQPE algorithm as well as others. We establish an error bound that justifies the fast convergence of our spectral approximation. We also derive how the overlap with high energy eigenstates becomes suppressed from real-time subspace diagonalization and we visualize the process that shows the signature phase cancellations at specific eigenenergies. We investigate various algorithm implementations and consider performance when stochasticity is added to the target Hamiltonian in the form of spectral statistics. To demonstrate the practicality of such real-time evolution, we discuss its application to fundamental problems in quantum computation such as electronic structure predictions for strongly correlated systems.

  • 6 authors
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Jun 9, 2023

From Per-Image Low-Rank to Encoding Mismatch: Rethinking Feature Distillation in Vision Transformers

Feature-map knowledge distillation (KD) transfers internal representations well between comparably sized Vision Transformers (ViTs), but it often fails in compression. We revisit this failure and uncover a paradox. Sample-wise SVD shows that each image is highly compressible, which seems to suggest that a narrow student with a linear projector should match the teacher "in principle". However, a dataset-level view contradicts this intuition: PCA shows that the teacher is a union of low-rank subspaces with significant subspace rotation across inputs. We further introduce token-level Spectral Energy Patterns (SEP) and find an architecture-invariant encoding law: tokens spread energy broadly across channel modes even when they live in low-rank subspace, creating a bandwidth mismatch. We refer to this combined phenomenon as an encoding mismatch. We propose two minimal remedies, Lift or WideLast: (i) Lift retains a lightweight lifting projector at inference to provide wider channel, or (ii) WideLast widens only the student's last block, enabling an input-dependent expansion. On ImageNet-1K, these fixes revive feature KD for ViT compression, improving DeiT-Tiny distilled from CaiT-S24 from 74.86% to 77.53%/78.23% top-1 accuracy, and they also strengthen students trained without distillation. Our analyses clarify when and why feature-map KD fails and then how to fix it. Code and raw data are provided in https://github.com/thy960112/From-Per-Image-Low-Rank-to-Encoding-Mismatch.

  • 3 authors
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May 25

Quantum Krylov subspace algorithms for ground and excited state energy estimation

Quantum Krylov subspace diagonalization (QKSD) algorithms provide a low-cost alternative to the conventional quantum phase estimation algorithm for estimating the ground and excited-state energies of a quantum many-body system. While QKSD algorithms typically rely on using the Hadamard test for estimating Krylov subspace matrix elements of the form, langle ϕ_i|e^{-iHτ}|ϕ_j rangle, the associated quantum circuits require an ancilla qubit with controlled multi-qubit gates that can be quite costly for near-term quantum hardware. In this work, we show that a wide class of Hamiltonians relevant to condensed matter physics and quantum chemistry contain symmetries that can be exploited to avoid the use of the Hadamard test. We propose a multi-fidelity estimation protocol that can be used to compute such quantities showing that our approach, when combined with efficient single-fidelity estimation protocols, provides a substantial reduction in circuit depth. In addition, we develop a unified theory of quantum Krylov subspace algorithms and present three new quantum-classical algorithms for the ground and excited-state energy estimation problems, where each new algorithm provides various advantages and disadvantages in terms of total number of calls to the quantum computer, gate depth, classical complexity, and stability of the generalized eigenvalue problem within the Krylov subspace.

  • 2 authors
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Oct 13, 2021

MoNo: Multiscale Optimal Transport Neural Operator for Solving PDEs on General Geometries

Transformer-based neural operators have achieved substantial progress in solving Partial Differential Equations (PDEs) by projecting spatial observations into compact latent tokens and learning physical interactions in latent spaces. However, we reveal that existing learnable projection mechanisms cannot ensure stable and balanced assignments from observation points to latent tokens, causing some latent tokens to be over-assigned while others remain underutilized. This limitation further restricts the design of hierarchical architectures, as assignment imbalance is continuously inherited and amplified across latent spaces, eventually causing severe token collapse in deeper spaces. To address these issues, we propose MoNo (Multiscale Optimal Transport Neural Operator), a progressive multiscale neural operator that efficiently solves PDEs on general geometries through stable latent-space construction. At its core is CoTAP (Cross-scale Optimal Transport Assignment and Projection), a novel latent-space construction method that formulates cross-space assignment between adjacent spaces as an entropy-regularized optimal transport problem, thereby constructing balanced bidirectional projections and stable latent spaces. CoTAP also ensures stable information transfer across multiple latent spaces, further enabling multiscale architectures on general geometries, which in turn support more efficient learning of long-range physical interactions. Extensive experiments demonstrate that MoNo outperforms existing state-of-the-art neural operators in both prediction performance and computational efficiency. Code is available at https://github.com/ZijiangY1116/MoNo.

  • 3 authors
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Aug 9

Spectral Subspace Clustering for Attributed Graphs

Subspace clustering seeks to identify subspaces that segment a set of n data points into k (k<<n) groups, which has emerged as a powerful tool for analyzing data from various domains, especially images and videos. Recently, several studies have demonstrated the great potential of subspace clustering models for partitioning vertices in attributed graphs, referred to as SCAG. However, these works either demand significant computational overhead for constructing the nxn self-expressive matrix, or fail to incorporate graph topology and attribute data into the subspace clustering framework effectively, and thus, compromise result quality. Motivated by this, this paper presents two effective and efficient algorithms, S2CAG and M-S2CAG, for SCAG computation. Particularly, S2CAG obtains superb performance through three major contributions. First, we formulate a new objective function for SCAG with a refined representation model for vertices and two non-trivial constraints. On top of that, an efficient linear-time optimization solver is developed based on our theoretically grounded problem transformation and well-thought-out adaptive strategy. We then conduct an in-depth analysis to disclose the theoretical connection of S2CAG to conductance minimization, which further inspires the design of M-S2CAG that maximizes the modularity. Our extensive experiments, comparing S2CAG and M-S2CAG against 17 competitors over 8 benchmark datasets, exhibit that our solutions outperform all baselines in terms of clustering quality measured against the ground truth while delivering high efficiency

  • 4 authors
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Nov 17, 2024

A Topological and Operator Algebraic Framework for Asynchronous Lattice Dynamical Systems

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

  • 1 authors
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May 14, 2025

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
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May 8 1