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May 7

Learning Eigenstructures of Unstructured Data Manifolds

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

Solving High-Dimensional PDEs with Latent Spectral Models

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

  • 5 authors
·
Jan 29, 2023

Convolutional Neural Networks on non-uniform geometrical signals using Euclidean spectral transformation

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being sampled onto a uniform physical grid suffer significant aliasing error and information loss. Moreover, signals can exist in different topological structures as, for example, points, lines, surfaces and volumes. It has been challenging to analyze signals with mixed topologies (for example, point cloud with surface mesh). To this end, we develop mathematical formulations for Non-Uniform Fourier Transforms (NUFT) to directly, and optimally, sample nonuniform data signals of different topologies defined on a simplex mesh into the spectral domain with no spatial sampling error. The spectral transform is performed in the Euclidean space, which removes the translation ambiguity from works on the graph spectrum. Our representation has four distinct advantages: (1) the process causes no spatial sampling error during the initial sampling, (2) the generality of this approach provides a unified framework for using CNNs to analyze signals of mixed topologies, (3) it allows us to leverage state-of-the-art backbone CNN architectures for effective learning without having to design a particular architecture for a particular data structure in an ad-hoc fashion, and (4) the representation allows weighted meshes where each element has a different weight (i.e., texture) indicating local properties. We achieve results on par with the state-of-the-art for the 3D shape retrieval task, and a new state-of-the-art for the point cloud to surface reconstruction task.

  • 5 authors
·
Jan 7, 2019

Robustifying State-space Models for Long Sequences via Approximate Diagonalization

State-space models (SSMs) have recently emerged as a framework for learning long-range sequence tasks. An example is the structured state-space sequence (S4) layer, which uses the diagonal-plus-low-rank structure of the HiPPO initialization framework. However, the complicated structure of the S4 layer poses challenges; and, in an effort to address these challenges, models such as S4D and S5 have considered a purely diagonal structure. This choice simplifies the implementation, improves computational efficiency, and allows channel communication. However, diagonalizing the HiPPO framework is itself an ill-posed problem. In this paper, we propose a general solution for this and related ill-posed diagonalization problems in machine learning. We introduce a generic, backward-stable "perturb-then-diagonalize" (PTD) methodology, which is based on the pseudospectral theory of non-normal operators, and which may be interpreted as the approximate diagonalization of the non-normal matrices defining SSMs. Based on this, we introduce the S4-PTD and S5-PTD models. Through theoretical analysis of the transfer functions of different initialization schemes, we demonstrate that the S4-PTD/S5-PTD initialization strongly converges to the HiPPO framework, while the S4D/S5 initialization only achieves weak convergences. As a result, our new models show resilience to Fourier-mode noise-perturbed inputs, a crucial property not achieved by the S4D/S5 models. In addition to improved robustness, our S5-PTD model averages 87.6% accuracy on the Long-Range Arena benchmark, demonstrating that the PTD methodology helps to improve the accuracy of deep learning models.

  • 5 authors
·
Oct 2, 2023

Enhancing LLM Training via Spectral Clipping

While spectral-based optimizers like Muon operate directly on the spectrum of updates, standard adaptive methods such as AdamW do not account for the global spectral structure of weights and gradients, leaving them vulnerable to two empirical issues in large language model (LLM) training: (i) the optimizer updates can have large spectral norms, potentially destabilizing training and degrading generalization; (ii) stochastic gradient noise can exhibit sparse spectral spikes, with a few dominant singular values much larger than the rest. We propose SPECTRA, a general framework addressing these by (i) post-spectral clipping of updates to enforce spectral-norm constraints; (ii) optional pre-spectral clipping of gradients to suppress spectral noise spikes. We prove that post-clipping constitutes a Composite Frank-Wolfe method with spectral-norm constraints and weight regularization, recovering Frobenius and ell_{infty}-norm regularization with SGD-based and sign-based methods. We further analyze how pre-clipping mitigates sparse spectral spikes. We propose efficient soft spectral clipping via Newton-Schulz iterations, avoiding expensive SVD. Experiments on LLM pretraining show SPECTRA uniformly improves validation loss for various optimizers, including AdamW, Signum, and AdEMAMix, with the best-performing variants achieving state-of-the-art results. Models trained with SPECTRA exhibit smaller weight norms, confirming the link between spectral clipping and regularization.

  • 3 authors
·
Mar 15

LoLA-SpecViT: Local Attention SwiGLU Vision Transformer with LoRA for Hyperspectral Imaging

Hyperspectral image classification remains a challenging task due to the high dimensionality of spectral data, significant inter-band redundancy, and the limited availability of annotated samples. While recent transformer-based models have improved the global modeling of spectral-spatial dependencies, their scalability and adaptability under label-scarce conditions remain limited. In this work, we propose LoLA-SpecViT(Low-rank adaptation Local Attention Spectral Vision Transformer), a lightweight spectral vision transformer that addresses these limitations through a parameter-efficient architecture tailored to the unique characteristics of hyperspectral imagery. Our model combines a 3D convolutional spectral front-end with local window-based self-attention, enhancing both spectral feature extraction and spatial consistency while reducing computational complexity. To further improve adaptability, we integrate low-rank adaptation (LoRA) into attention and projection layers, enabling fine-tuning with over 80\% fewer trainable parameters. A novel cyclical learning rate scheduler modulates LoRA adaptation strength during training, improving convergence and generalisation. Extensive experiments on three benchmark datasets WHU-Hi LongKou, WHU-Hi HongHu, and Salinas demonstrate that LoLA-SpecViT consistently outperforms state-of-the-art baselines, achieving up to 99.91\% accuracy with substantially fewer parameters and enhanced robustness under low-label regimes. The proposed framework provides a scalable and generalizable solution for real-world HSI applications in agriculture, environmental monitoring, and remote sensing analytics. Our code is available in the following https://github.com/FadiZidiDz/LoLA-SpecViT{GitHub Repository}.

  • 7 authors
·
Jun 21, 2025

Spectral-Refiner: Fine-Tuning of Accurate Spatiotemporal Neural Operator for Turbulent Flows

Recent advancements in operator-type neural networks have shown promising results in approximating the solutions of spatiotemporal Partial Differential Equations (PDEs). However, these neural networks often entail considerable training expenses, and may not always achieve the desired accuracy required in many scientific and engineering disciplines. In this paper, we propose a new Spatiotemporal Fourier Neural Operator (SFNO) that learns maps between Bochner spaces, and a new learning framework to address these issues. This new paradigm leverages wisdom from traditional numerical PDE theory and techniques to refine the pipeline of commonly adopted end-to-end neural operator training and evaluations. Specifically, in the learning problems for the turbulent flow modeling by the Navier-Stokes Equations (NSE), the proposed architecture initiates the training with a few epochs for SFNO, concluding with the freezing of most model parameters. Then, the last linear spectral convolution layer is fine-tuned without the frequency truncation. The optimization uses a negative Sobolev norm for the first time as the loss in operator learning, defined through a reliable functional-type a posteriori error estimator whose evaluation is almost exact thanks to the Parseval identity. This design allows the neural operators to effectively tackle low-frequency errors while the relief of the de-aliasing filter addresses high-frequency errors. Numerical experiments on commonly used benchmarks for the 2D NSE demonstrate significant improvements in both computational efficiency and accuracy, compared to end-to-end evaluation and traditional numerical PDE solvers.

  • 4 authors
·
May 27, 2024

Mamba-360: Survey of State Space Models as Transformer Alternative for Long Sequence Modelling: Methods, Applications, and Challenges

Sequence modeling is a crucial area across various domains, including Natural Language Processing (NLP), speech recognition, time series forecasting, music generation, and bioinformatics. Recurrent Neural Networks (RNNs) and Long Short Term Memory Networks (LSTMs) have historically dominated sequence modeling tasks like Machine Translation, Named Entity Recognition (NER), etc. However, the advancement of transformers has led to a shift in this paradigm, given their superior performance. Yet, transformers suffer from O(N^2) attention complexity and challenges in handling inductive bias. Several variations have been proposed to address these issues which use spectral networks or convolutions and have performed well on a range of tasks. However, they still have difficulty in dealing with long sequences. State Space Models(SSMs) have emerged as promising alternatives for sequence modeling paradigms in this context, especially with the advent of S4 and its variants, such as S4nd, Hippo, Hyena, Diagnol State Spaces (DSS), Gated State Spaces (GSS), Linear Recurrent Unit (LRU), Liquid-S4, Mamba, etc. In this survey, we categorize the foundational SSMs based on three paradigms namely, Gating architectures, Structural architectures, and Recurrent architectures. This survey also highlights diverse applications of SSMs across domains such as vision, video, audio, speech, language (especially long sequence modeling), medical (including genomics), chemical (like drug design), recommendation systems, and time series analysis, including tabular data. Moreover, we consolidate the performance of SSMs on benchmark datasets like Long Range Arena (LRA), WikiText, Glue, Pile, ImageNet, Kinetics-400, sstv2, as well as video datasets such as Breakfast, COIN, LVU, and various time series datasets. The project page for Mamba-360 work is available on this webpage.https://github.com/badripatro/mamba360.

  • 2 authors
·
Apr 24, 2024 1

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

Efficiently Modeling Long Sequences with Structured State Spaces

A central goal of sequence modeling is designing a single principled model that can address sequence data across a range of modalities and tasks, particularly on long-range dependencies. Although conventional models including RNNs, CNNs, and Transformers have specialized variants for capturing long dependencies, they still struggle to scale to very long sequences of 10000 or more steps. A promising recent approach proposed modeling sequences by simulating the fundamental state space model (SSM) \( x'(t) = Ax(t) + Bu(t), y(t) = Cx(t) + Du(t) \), and showed that for appropriate choices of the state matrix \( A \), this system could handle long-range dependencies mathematically and empirically. However, this method has prohibitive computation and memory requirements, rendering it infeasible as a general sequence modeling solution. We propose the Structured State Space sequence model (S4) based on a new parameterization for the SSM, and show that it can be computed much more efficiently than prior approaches while preserving their theoretical strengths. Our technique involves conditioning \( A \) with a low-rank correction, allowing it to be diagonalized stably and reducing the SSM to the well-studied computation of a Cauchy kernel. S4 achieves strong empirical results across a diverse range of established benchmarks, including (i) 91\% accuracy on sequential CIFAR-10 with no data augmentation or auxiliary losses, on par with a larger 2-D ResNet, (ii) substantially closing the gap to Transformers on image and language modeling tasks, while performing generation 60times faster (iii) SoTA on every task from the Long Range Arena benchmark, including solving the challenging Path-X task of length 16k that all prior work fails on, while being as efficient as all competitors.

  • 3 authors
·
Oct 30, 2021

Real-Time Prediction of Gas Flow Dynamics in Diesel Engines using a Deep Neural Operator Framework

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

  • 4 authors
·
Apr 2, 2023

On the Stability of Expressive Positional Encodings for Graph Neural Networks

Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two fundamental challenges: (1) Non-uniqueness: there are many different eigendecompositions of the same Laplacian, and (2) Instability: small perturbations to the Laplacian could result in completely different eigenspaces, leading to unpredictable changes in positional encoding. Despite many attempts to address non-uniqueness, most methods overlook stability, leading to poor generalization on unseen graph structures. We identify the cause of instability to be a "hard partition" of eigenspaces. Hence, we introduce Stable and Expressive Positional Encodings (SPE), an architecture for processing eigenvectors that uses eigenvalues to "softly partition" eigenspaces. SPE is the first architecture that is (1) provably stable, and (2) universally expressive for basis invariant functions whilst respecting all symmetries of eigenvectors. Besides guaranteed stability, we prove that SPE is at least as expressive as existing methods, and highly capable of counting graph structures. Finally, we evaluate the effectiveness of our method on molecular property prediction, and out-of-distribution generalization tasks, finding improved generalization compared to existing positional encoding methods.

  • 7 authors
·
Oct 4, 2023

Hybrid Spectral Denoising Transformer with Guided Attention

In this paper, we present a Hybrid Spectral Denoising Transformer (HSDT) for hyperspectral image denoising. Challenges in adapting transformer for HSI arise from the capabilities to tackle existing limitations of CNN-based methods in capturing the global and local spatial-spectral correlations while maintaining efficiency and flexibility. To address these issues, we introduce a hybrid approach that combines the advantages of both models with a Spatial-Spectral Separable Convolution (S3Conv), Guided Spectral Self-Attention (GSSA), and Self-Modulated Feed-Forward Network (SM-FFN). Our S3Conv works as a lightweight alternative to 3D convolution, which extracts more spatial-spectral correlated features while keeping the flexibility to tackle HSIs with an arbitrary number of bands. These features are then adaptively processed by GSSA which per-forms 3D self-attention across the spectral bands, guided by a set of learnable queries that encode the spectral signatures. This not only enriches our model with powerful capabilities for identifying global spectral correlations but also maintains linear complexity. Moreover, our SM-FFN proposes the self-modulation that intensifies the activations of more informative regions, which further strengthens the aggregated features. Extensive experiments are conducted on various datasets under both simulated and real-world noise, and it shows that our HSDT significantly outperforms the existing state-of-the-art methods while maintaining low computational overhead. Code is at https: //github.com/Zeqiang-Lai/HSDT.

  • 3 authors
·
Mar 15, 2023

Spatial-Spectral Morphological Mamba for Hyperspectral Image Classification

In recent years, the emergence of Transformers with self-attention mechanism has revolutionized the hyperspectral image (HSI) classification. However, these models face major challenges in computational efficiency, as their complexity increases quadratically with the sequence length. The Mamba architecture, leveraging a state space model (SSM), offers a more efficient alternative to Transformers. This paper introduces the Spatial-Spectral Morphological Mamba (MorpMamba) model in which, a token generation module first converts the HSI patch into spatial-spectral tokens. These tokens are then processed by morphological operations, which compute structural and shape information using depthwise separable convolutional operations. The extracted information is enhanced in a feature enhancement module that adjusts the spatial and spectral tokens based on the center region of the HSI sample, allowing for effective information fusion within each block. Subsequently, the tokens are refined through a multi-head self-attention which further improves the feature space. Finally, the combined information is fed into the state space block for classification and the creation of the ground truth map. Experiments on widely used HSI datasets demonstrate that the MorpMamba model outperforms (parametric efficiency) both CNN and Transformer models. The source code will be made publicly available at https://github.com/MHassaanButt/MorpMamba.

  • 10 authors
·
Aug 2, 2024

MP-HSIR: A Multi-Prompt Framework for Universal Hyperspectral Image Restoration

Hyperspectral images (HSIs) often suffer from diverse and unknown degradations during imaging, leading to severe spectral and spatial distortions. Existing HSI restoration methods typically rely on specific degradation assumptions, limiting their effectiveness in complex scenarios. In this paper, we propose MP-HSIR, a novel multi-prompt framework that effectively integrates spectral, textual, and visual prompts to achieve universal HSI restoration across diverse degradation types and intensities. Specifically, we develop a prompt-guided spatial-spectral transformer, which incorporates spatial self-attention and a prompt-guided dual-branch spectral self-attention. Since degradations affect spectral features differently, we introduce spectral prompts in the local spectral branch to provide universal low-rank spectral patterns as prior knowledge for enhancing spectral reconstruction. Furthermore, the text-visual synergistic prompt fuses high-level semantic representations with fine-grained visual features to encode degradation information, thereby guiding the restoration process. Extensive experiments on 9 HSI restoration tasks, including all-in-one scenarios, generalization tests, and real-world cases, demonstrate that MP-HSIR not only consistently outperforms existing all-in-one methods but also surpasses state-of-the-art task-specific approaches across multiple tasks. The code and models will be released at https://github.com/ZhehuiWu/MP-HSIR.

  • 4 authors
·
Mar 12, 2025

MgNO: Efficient Parameterization of Linear Operators via Multigrid

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

  • 3 authors
·
Oct 16, 2023

VP-Hype: A Hybrid Mamba-Transformer Framework with Visual-Textual Prompting for Hyperspectral Image Classification

Accurate classification of hyperspectral imagery (HSI) is often frustrated by the tension between high-dimensional spectral data and the extreme scarcity of labeled training samples. While hierarchical models like LoLA-SpecViT have demonstrated the power of local windowed attention and parameter-efficient fine-tuning, the quadratic complexity of standard Transformers remains a barrier to scaling. We introduce VP-Hype, a framework that rethinks HSI classification by unifying the linear-time efficiency of State-Space Models (SSMs) with the relational modeling of Transformers in a novel hybrid architecture. Building on a robust 3D-CNN spectral front-end, VP-Hype replaces conventional attention blocks with a Hybrid Mamba-Transformer backbone to capture long-range dependencies with significantly reduced computational overhead. Furthermore, we address the label-scarcity problem by integrating dual-modal Visual and Textual Prompts that provide context-aware guidance for the feature extraction process. Our experimental evaluation demonstrates that VP-Hype establishes a new state of the art in low-data regimes. Specifically, with a training sample distribution of only 2\%, the model achieves Overall Accuracy (OA) of 99.69\% on the Salinas dataset and 99.45\% on the Longkou dataset. These results suggest that the convergence of hybrid sequence modeling and multi-modal prompting provides a robust path forward for high-performance, sample-efficient remote sensing.

  • 7 authors
·
Mar 1

Exploring Spatiotemporal Feature Propagation for Video-Level Compressive Spectral Reconstruction: Dataset, Model and Benchmark

Recently, Spectral Compressive Imaging (SCI) has achieved remarkable success, unlocking significant potential for dynamic spectral vision. However, existing reconstruction methods, primarily image-based, suffer from two limitations: (i) Encoding process masks spatial-spectral features, leading to uncertainty in reconstructing missing information from single compressed measurements, and (ii) The frame-by-frame reconstruction paradigm fails to ensure temporal consistency, which is crucial in the video perception. To address these challenges, this paper seeks to advance spectral reconstruction from the image level to the video level, leveraging the complementary features and temporal continuity across adjacent frames in dynamic scenes. Initially, we construct the first high-quality dynamic hyperspectral image dataset (DynaSpec), comprising 30 sequences obtained through frame-scanning acquisition. Subsequently, we propose the Propagation-Guided Spectral Video Reconstruction Transformer (PG-SVRT), which employs a spatial-then-temporal attention to effectively reconstruct spectral features from abundant video information, while using a bridged token to reduce computational complexity. Finally, we conduct simulation experiments to assess the performance of four SCI systems, and construct a DD-CASSI prototype for real-world data collection and benchmarking. Extensive experiments demonstrate that PG-SVRT achieves superior performance in reconstruction quality, spectral fidelity, and temporal consistency, while maintaining minimal FLOPs. Project page: https://github.com/nju-cite/DynaSpec

  • 9 authors
·
Feb 28

SpectralGPT: Spectral Foundation Model

The foundation model has recently garnered significant attention due to its potential to revolutionize the field of visual representation learning in a self-supervised manner. While most foundation models are tailored to effectively process RGB images for various visual tasks, there is a noticeable gap in research focused on spectral data, which offers valuable information for scene understanding, especially in remote sensing (RS) applications. To fill this gap, we created for the first time a universal RS foundation model, named SpectralGPT, which is purpose-built to handle spectral RS images using a novel 3D generative pretrained transformer (GPT). Compared to existing foundation models, SpectralGPT 1) accommodates input images with varying sizes, resolutions, time series, and regions in a progressive training fashion, enabling full utilization of extensive RS big data; 2) leverages 3D token generation for spatial-spectral coupling; 3) captures spectrally sequential patterns via multi-target reconstruction; 4) trains on one million spectral RS images, yielding models with over 600 million parameters. Our evaluation highlights significant performance improvements with pretrained SpectralGPT models, signifying substantial potential in advancing spectral RS big data applications within the field of geoscience across four downstream tasks: single/multi-label scene classification, semantic segmentation, and change detection.

  • 14 authors
·
Nov 13, 2023

How to Train Your HiPPO: State Space Models with Generalized Orthogonal Basis Projections

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

  • 5 authors
·
Jun 23, 2022

Best of Both Worlds: Advantages of Hybrid Graph Sequence Models

Modern sequence models (e.g., Transformers, linear RNNs, etc.) emerged as dominant backbones of recent deep learning frameworks, mainly due to their efficiency, representational power, and/or ability to capture long-range dependencies. Adopting these sequence models for graph-structured data has recently gained popularity as the alternative to Message Passing Neural Networks (MPNNs). There is, however, a lack of a common foundation about what constitutes a good graph sequence model, and a mathematical description of the benefits and deficiencies in adopting different sequence models for learning on graphs. To this end, we first present Graph Sequence Model (GSM), a unifying framework for adopting sequence models for graphs, consisting of three main steps: (1) Tokenization, which translates the graph into a set of sequences; (2) Local Encoding, which encodes local neighborhoods around each node; and (3) Global Encoding, which employs a scalable sequence model to capture long-range dependencies within the sequences. This framework allows us to understand, evaluate, and compare the power of different sequence model backbones in graph tasks. Our theoretical evaluations of the representation power of Transformers and modern recurrent models through the lens of global and local graph tasks show that there are both negative and positive sides for both types of models. Building on this observation, we present GSM++, a fast hybrid model that uses the Hierarchical Affinity Clustering (HAC) algorithm to tokenize the graph into hierarchical sequences, and then employs a hybrid architecture of Transformer to encode these sequences. Our theoretical and experimental results support the design of GSM++, showing that GSM++ outperforms baselines in most benchmark evaluations.

  • 6 authors
·
Nov 23, 2024 2

Sparse Spectral Training and Inference on Euclidean and Hyperbolic Neural Networks

The growing computational demands posed by increasingly number of neural network's parameters necessitate low-memory-consumption training approaches. Previous memory reduction techniques, such as Low-Rank Adaptation (LoRA) and ReLoRA, suffer from the limitation of low rank and saddle point issues, particularly during intensive tasks like pre-training. In this paper, we propose Sparse Spectral Training (SST), an advanced training methodology that updates all singular values and selectively updates singular vectors of network weights, thereby optimizing resource usage while closely approximating full-rank training. SST refines the training process by employing a targeted updating strategy for singular vectors, which is determined by a multinomial sampling method weighted by the significance of the singular values, ensuring both high performance and memory reduction. Through comprehensive testing on both Euclidean and hyperbolic neural networks across various tasks, including natural language generation, machine translation, node classification and link prediction, SST demonstrates its capability to outperform existing memory reduction training methods and is comparable with full-rank training in some cases. On OPT-125M, with rank equating to 8.3% of embedding dimension, SST reduces the perplexity gap to full-rank training by 67.6%, demonstrating a significant reduction of the performance loss with prevalent low-rank methods. This approach offers a strong alternative to traditional training techniques, paving the way for more efficient and scalable neural network training solutions.

  • 5 authors
·
May 24, 2024

SpecDETR: A Transformer-based Hyperspectral Point Object Detection Network

Hyperspectral target detection (HTD) aims to identify specific materials based on spectral information in hyperspectral imagery and can detect extremely small objects, some of which occupy a smaller than one-pixel area. However, existing HTD methods are developed based on per-pixel binary classification, which limits the feature representation capability for instance-level objects. In this paper, we rethink the hyperspectral target detection from the point object detection perspective, and propose the first specialized network for hyperspectral multi-class point object detection, SpecDETR. Without the visual foundation model of the current object detection framework, SpecDETR treats each pixel in input images as a token and uses a multi-layer Transformer encoder with self-excited subpixel-scale attention modules to directly extract joint spatial-spectral features from images. During feature extraction, we introduce a self-excited mechanism to enhance object features through self-excited amplification, thereby accelerating network convergence. Additionally, SpecDETR regards point object detection as a one-to-many set prediction problem, thereby achieving a concise and efficient DETR decoder that surpasses the state-of-the-art (SOTA) DETR decoder. We develop a simulated hyperSpectral Point Object Detection benchmark termed SPOD, and for the first time, evaluate and compare the performance of current object detection networks and HTD methods on hyperspectral point object detection. Extensive experiments demonstrate that our proposed SpecDETR outperforms SOTA object detection networks and HTD methods. Our code and dataset are available at https://github.com/ZhaoxuLi123/SpecDETR.

  • 6 authors
·
May 16, 2024

HybridSN: Exploring 3D-2D CNN Feature Hierarchy for Hyperspectral Image Classification

Hyperspectral image (HSI) classification is widely used for the analysis of remotely sensed images. Hyperspectral imagery includes varying bands of images. Convolutional Neural Network (CNN) is one of the most frequently used deep learning based methods for visual data processing. The use of CNN for HSI classification is also visible in recent works. These approaches are mostly based on 2D CNN. Whereas, the HSI classification performance is highly dependent on both spatial and spectral information. Very few methods have utilized the 3D CNN because of increased computational complexity. This letter proposes a Hybrid Spectral Convolutional Neural Network (HybridSN) for HSI classification. Basically, the HybridSN is a spectral-spatial 3D-CNN followed by spatial 2D-CNN. The 3D-CNN facilitates the joint spatial-spectral feature representation from a stack of spectral bands. The 2D-CNN on top of the 3D-CNN further learns more abstract level spatial representation. Moreover, the use of hybrid CNNs reduces the complexity of the model compared to 3D-CNN alone. To test the performance of this hybrid approach, very rigorous HSI classification experiments are performed over Indian Pines, Pavia University and Salinas Scene remote sensing datasets. The results are compared with the state-of-the-art hand-crafted as well as end-to-end deep learning based methods. A very satisfactory performance is obtained using the proposed HybridSN for HSI classification. The source code can be found at https://github.com/gokriznastic/HybridSN.

  • 4 authors
·
Jul 2, 2019

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

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

  • 7 authors
·
Jun 12, 2025

NFIG: Autoregressive Image Generation with Next-Frequency Prediction

Autoregressive models have achieved promising results in natural language processing. However, for image generation tasks, they encounter substantial challenges in effectively capturing long-range dependencies, managing computational costs, and most crucially, defining meaningful autoregressive sequences that reflect natural image hierarchies. To address these issues, we present Next-Frequency Image Generation (NFIG), a novel framework that decomposes the image generation process into multiple frequency-guided stages. Our approach first generates low-frequency components to establish global structure with fewer tokens, then progressively adds higher-frequency details, following the natural spectral hierarchy of images. This principled autoregressive sequence not only improves the quality of generated images by better capturing true causal relationships between image components, but also significantly reduces computational overhead during inference. Extensive experiments demonstrate that NFIG achieves state-of-the-art performance with fewer steps, offering a more efficient solution for image generation, with 1.25times speedup compared to VAR-d20 while achieving better performance (FID: 2.81) on the ImageNet-256 benchmark. We hope that our insight of incorporating frequency-domain knowledge to guide autoregressive sequence design will shed light on future research. We will make our code publicly available upon acceptance of the paper.

  • 6 authors
·
Mar 10, 2025

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

CARL: Camera-Agnostic Representation Learning for Spectral Image Analysis

Spectral imaging offers promising applications across diverse domains, including medicine and urban scene understanding, and is already established as a critical modality in remote sensing. However, variability in channel dimensionality and captured wavelengths among spectral cameras impede the development of AI-driven methodologies, leading to camera-specific models with limited generalizability and inadequate cross-camera applicability. To address this bottleneck, we introduce CARL, a model for Camera-Agnostic Representation Learning across RGB, multispectral, and hyperspectral imaging modalities. To enable the conversion of a spectral image with any channel dimensionality to a camera-agnostic representation, we introduce a novel spectral encoder, featuring a self-attention-cross-attention mechanism, to distill salient spectral information into learned spectral representations. Spatio-spectral pre-training is achieved with a novel feature-based self-supervision strategy tailored to CARL. Large-scale experiments across the domains of medical imaging, autonomous driving, and satellite imaging demonstrate our model's unique robustness to spectral heterogeneity, outperforming on datasets with simulated and real-world cross-camera spectral variations. The scalability and versatility of the proposed approach position our model as a backbone for future spectral foundation models. Code and model weights are publicly available at https://github.com/IMSY-DKFZ/CARL.

  • 8 authors
·
Apr 27, 2025

Capturing More: Learning Multi-Domain Representations for Robust Online Handwriting Verification

In this paper, we propose SPECTRUM, a temporal-frequency synergistic model that unlocks the untapped potential of multi-domain representation learning for online handwriting verification (OHV). SPECTRUM comprises three core components: (1) a multi-scale interactor that finely combines temporal and frequency features through dual-modal sequence interaction and multi-scale aggregation, (2) a self-gated fusion module that dynamically integrates global temporal and frequency features via self-driven balancing. These two components work synergistically to achieve micro-to-macro spectral-temporal integration. (3) A multi-domain distance-based verifier then utilizes both temporal and frequency representations to improve discrimination between genuine and forged handwriting, surpassing conventional temporal-only approaches. Extensive experiments demonstrate SPECTRUM's superior performance over existing OHV methods, underscoring the effectiveness of temporal-frequency multi-domain learning. Furthermore, we reveal that incorporating multiple handwritten biometrics fundamentally enhances the discriminative power of handwriting representations and facilitates verification. These findings not only validate the efficacy of multi-domain learning in OHV but also pave the way for future research in multi-domain approaches across both feature and biometric domains. Code is publicly available at https://github.com/NiceRingNode/SPECTRUM.

  • 3 authors
·
Aug 2, 2025

Structure and Redundancy in Large Language Models: A Spectral Study via Random Matrix Theory

This thesis addresses two persistent and closely related challenges in modern deep learning, reliability and efficiency, through a unified framework grounded in Spectral Geometry and Random Matrix Theory (RMT). As deep networks and large language models continue to scale, their internal behavior becomes increasingly opaque, leading to hallucinations, fragile generalization under distribution shift, and growing computational and energy demands. By analyzing the eigenvalue dynamics of hidden activations across layers and inputs, this work shows that spectral statistics provide a compact, stable, and interpretable lens on model behavior, capable of separating structured, causal representations from noise-dominated variability. Within this framework, the first contribution, EigenTrack, introduces a real-time method for detecting hallucinations and out-of-distribution behavior in large language and vision-language models. EigenTrack transforms streaming activations into spectral descriptors such as entropy, variance, and deviations from the Marchenko-Pastur baseline, and models their temporal evolution using lightweight recurrent classifiers, enabling early detection of reliability failures before they appear in model outputs while offering interpretable insight into representation dynamics. The second contribution, RMT-KD, presents a principled approach to compressing deep networks via random matrix theoretic knowledge distillation. By interpreting outlier eigenvalues in activation spectra as carriers of task-relevant information, RMT-KD progressively projects networks onto lower-dimensional subspaces through iterative self-distillation, yielding significantly more compact and energy-efficient models while preserving accuracy and dense, hardware-friendly structure.

  • 1 authors
·
Feb 25

JAWS: Enhancing Long-term Rollout of Neural Operators via Spatially-Adaptive Jacobian Regularization

Data-driven surrogate models improve the efficiency of simulating continuous dynamical systems, yet their autoregressive rollouts are often limited by instability and spectral blow-up. While global regularization techniques can enforce contractive dynamics, they uniformly damp high-frequency features, introducing a contraction-dissipation dilemma. Furthermore, long-horizon trajectory optimization methods that explicitly correct drift are bottlenecked by memory constraints. In this work, we propose Jacobian-Adaptive Weighting for Stability (JAWS), a probabilistic regularization strategy designed to mitigate these limitations. By framing operator learning as Maximum A Posteriori (MAP) estimation with spatially heteroscedastic uncertainty, JAWS dynamically modulates the regularization strength based on local physical complexity. This allows the model to enforce contraction in smooth regions to suppress noise, while relaxing constraints near singular features to preserve gradients, effectively realizing a behavior similar to numerical shock-capturing schemes. Experiments demonstrate that this spatially-adaptive prior serves as an effective spectral pre-conditioner, which reduces the base operator's burden of handling high-frequency instabilities. This reduction enables memory-efficient, short-horizon trajectory optimization to match or exceed the long-term accuracy of long-horizon baselines. Evaluated on the 1D viscous Burgers' equation, our hybrid approach improves long-term stability, shock fidelity, and out-of-distribution generalization while reducing training computational costs.

  • 2 authors
·
Mar 4

SpectralEarth: Training Hyperspectral Foundation Models at Scale

Foundation models have triggered a paradigm shift in computer vision and are increasingly being adopted in remote sensing, particularly for multispectral imagery. Yet, their potential in hyperspectral imaging (HSI) remains untapped due to the absence of comprehensive and globally representative hyperspectral datasets. To close this gap, we introduce SpectralEarth, a large-scale multi-temporal dataset designed to pretrain hyperspectral foundation models leveraging data from the Environmental Mapping and Analysis Program (EnMAP). SpectralEarth comprises 538,974 image patches covering 415,153 unique locations from more than 11,636 globally distributed EnMAP scenes spanning two years of archive. Additionally, 17.5% of these locations include multiple timestamps, enabling multi-temporal HSI analysis. Utilizing state-of-the-art self-supervised learning (SSL) algorithms, we pretrain a series of foundation models on SpectralEarth. We integrate a spectral adapter into classical vision backbones to accommodate the unique characteristics of HSI. In tandem, we construct four downstream datasets for land-cover and crop-type mapping, providing benchmarks for model evaluation. Experimental results support the versatility of our models, showcasing their generalizability across different tasks and sensors. We also highlight computational efficiency during model fine-tuning. The dataset, models, and source code will be made publicly available.

  • 6 authors
·
Aug 15, 2024

Sparse Knowledge Distillation: A Mathematical Framework for Probability-Domain Temperature Scaling and Multi-Stage Compression

We develop a unified theoretical framework for sparse knowledge distillation based on probability-domain softening operators. While the equivalence p^{1/T} propto softmax(z/T) is well known, our contribution is an operator-level analytical framework built on this foundation rather than the equivalence itself. The framework comprises four core components: (i) operator-agnostic bias--variance decompositions that characterize when sparse students outperform dense teachers, (ii) a homotopy path formalization of multi-stage pruning in function space explaining why iterative compression succeeds where one-shot pruning fails, (iii) convergence guarantees establishing O(1/n) rates for n-stage distillation with explicit parameter dependence, and (iv) equivalence class characterizations identifying distinct probability-domain operators that yield identical student models under capacity constraints. We introduce an axiomatic definition of probability-domain softening operators based on ranking preservation, continuity, entropy monotonicity, identity, and boundary behavior, and show that multiple non-equivalent operator families satisfy these axioms. All learning-theoretic guarantees are shown to hold uniformly across this operator class, independent of implementation details. These results provide theoretical grounding for black-box teacher distillation, partial-access settings such as top-k truncation and text-only outputs, and privacy-preserving model compression.

  • 2 authors
·
Jan 6

NSTR: Neural Spectral Transport Representation for Space-Varying Frequency Fields

Implicit Neural Representations (INRs) have emerged as a powerful paradigm for representing signals such as images, audio, and 3D scenes. However, existing INR frameworks -- including MLPs with Fourier features, SIREN, and multiresolution hash grids -- implicitly assume a global and stationary spectral basis. This assumption is fundamentally misaligned with real-world signals whose frequency characteristics vary significantly across space, exhibiting local high-frequency textures, smooth regions, and frequency drift phenomena. We propose Neural Spectral Transport Representation (NSTR), the first INR framework that explicitly models a spatially varying local frequency field. NSTR introduces a learnable frequency transport equation, a PDE that governs how local spectral compositions evolve across space. Given a learnable local spectrum field S(x) and a frequency transport network F_θ enforcing nabla S(x) approx F_θ(x, S(x)), NSTR reconstructs signals by spatially modulating a compact set of global sinusoidal bases. This formulation enables strong local adaptivity and offers a new level of interpretability via visualizing frequency flows. Experiments on 2D image regression, audio reconstruction, and implicit 3D geometry show that NSTR achieves significantly better accuracy-parameter trade-offs than SIREN, Fourier-feature MLPs, and Instant-NGP. NSTR requires fewer global frequencies, converges faster, and naturally explains signal structure through spectral transport fields. We believe NSTR opens a new direction in INR research by introducing explicit modeling of space-varying spectrum.

  • 1 authors
·
Nov 23, 2025

Beyond the Birkhoff Polytope: Spectral-Sphere-Constrained Hyper-Connections

Hyper-Connections (HC) generalize residual connections into multiple streams, employing residual matrices for cross-stream feature mixing to enrich model expressivity. However, unconstrained mixing disrupts the identity mapping property intrinsic to the residual connection, causing unstable training. To address this, Manifold-Constrained Hyper-Connections (mHC) and its variant restrict these matrices to the Birkhoff polytope (doubly stochastic matrices) via Sinkhorn iterations or permutation-based parameterizations. We reveal three limitations of this polytope constraint: (1) identity degeneration, where learned matrices collapse around the identity and diminish cross-stream interactions, (2) an expressivity bottleneck, as the non-negativity constraint prevents subtractive feature disentanglement, and (3) parameterization inefficiencies, manifesting as unstable Sinkhorn iterations or the factorial-scaling overhead of permutation-based parameterizations. To overcome these flaws, we propose Spectral-Sphere-Constrained Hyper-Connections (sHC). By geometrically shifting the feasible set from a rigid polytope to a spectral norm sphere, sHC allows negative entries, unlocking subtractive interactions for selective feature diversification. This shift eliminates unstable Sinkhorn projections and factorial parameterization, enabling expressive, non-degenerate residual matrices while preserving training stability.

  • 3 authors
·
Mar 21

ESSAformer: Efficient Transformer for Hyperspectral Image Super-resolution

Single hyperspectral image super-resolution (single-HSI-SR) aims to restore a high-resolution hyperspectral image from a low-resolution observation. However, the prevailing CNN-based approaches have shown limitations in building long-range dependencies and capturing interaction information between spectral features. This results in inadequate utilization of spectral information and artifacts after upsampling. To address this issue, we propose ESSAformer, an ESSA attention-embedded Transformer network for single-HSI-SR with an iterative refining structure. Specifically, we first introduce a robust and spectral-friendly similarity metric, \ie, the spectral correlation coefficient of the spectrum (SCC), to replace the original attention matrix and incorporates inductive biases into the model to facilitate training. Built upon it, we further utilize the kernelizable attention technique with theoretical support to form a novel efficient SCC-kernel-based self-attention (ESSA) and reduce attention computation to linear complexity. ESSA enlarges the receptive field for features after upsampling without bringing much computation and allows the model to effectively utilize spatial-spectral information from different scales, resulting in the generation of more natural high-resolution images. Without the need for pretraining on large-scale datasets, our experiments demonstrate ESSA's effectiveness in both visual quality and quantitative results.

  • 6 authors
·
Jul 26, 2023

Rayleigh Quotient Graph Neural Networks for Graph-level Anomaly Detection

Graph-level anomaly detection has gained significant attention as it finds applications in various domains, such as cancer diagnosis and enzyme prediction. However, existing methods fail to capture the spectral properties of graph anomalies, resulting in unexplainable framework design and unsatisfying performance. In this paper, we re-investigate the spectral differences between anomalous and normal graphs. Our main observation shows a significant disparity in the accumulated spectral energy between these two classes. Moreover, we prove that the accumulated spectral energy of the graph signal can be represented by its Rayleigh Quotient, indicating that the Rayleigh Quotient is a driving factor behind the anomalous properties of graphs. Motivated by this, we propose Rayleigh Quotient Graph Neural Network (RQGNN), the first spectral GNN that explores the inherent spectral features of anomalous graphs for graph-level anomaly detection. Specifically, we introduce a novel framework with two components: the Rayleigh Quotient learning component (RQL) and Chebyshev Wavelet GNN with RQ-pooling (CWGNN-RQ). RQL explicitly captures the Rayleigh Quotient of graphs and CWGNN-RQ implicitly explores the spectral space of graphs. Extensive experiments on 10 real-world datasets show that RQGNN outperforms the best rival by 6.74% in Macro-F1 score and 1.44% in AUC, demonstrating the effectiveness of our framework. Our code is available at https://github.com/xydong127/RQGNN.

  • 3 authors
·
Oct 4, 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

How Many Heads Make an SSM? A Unified Framework for Attention and State Space Models

Sequence modeling has produced diverse architectures -- from classical recurrent neural networks to modern Transformers and state space models (SSMs) -- yet a unified theoretical understanding of expressivity and trainability trade-offs remains limited. We introduce a unified framework that represents a broad class of sequence maps via an input-dependent effective interaction operator W_{ij}(X), making explicit two recurring construction patterns: (i) the Unified Factorized Framework (Explicit) (attention-style mixing), in which W_{ij}(X) varies through scalar coefficients applied to shared value maps, and (ii) Structured Dynamics (Implicit) (state-space recurrences), in which W_{ij} is induced by a latent dynamical system. Using this framework, we derive three theoretical results. First, we establish the Interaction Rank Gap: models in the Unified Factorized Framework, such as single-head attention, are constrained to a low-dimensional operator span and cannot represent certain structured dynamical maps. Second, we prove an Equivalence (Head-Count) Theorem showing that, within our multi-head factorized class, representing a linear SSM whose lag operators span a k-dimensional subspace on length-n sequences requires and is achievable with H=k heads. Third, we prove a Gradient Highway Result, showing that attention layers admit inputs with distance-independent gradient paths, whereas stable linear dynamics exhibit distance-dependent gradient attenuation. Together, these results formalize a fundamental trade-off between algebraic expressivity (interaction/operator span) and long-range gradient propagation, providing theoretical grounding for modern sequence architecture design.

  • 1 authors
·
Dec 17, 2025

Compensating Distribution Drifts in Class-incremental Learning of Pre-trained Vision Transformers

Recent advances have shown that sequential fine-tuning (SeqFT) of pre-trained vision transformers (ViTs), followed by classifier refinement using approximate distributions of class features, can be an effective strategy for class-incremental learning (CIL). However, this approach is susceptible to distribution drift, caused by the sequential optimization of shared backbone parameters. This results in a mismatch between the distributions of the previously learned classes and that of the updater model, ultimately degrading the effectiveness of classifier performance over time. To address this issue, we introduce a latent space transition operator and propose Sequential Learning with Drift Compensation (SLDC). SLDC aims to align feature distributions across tasks to mitigate the impact of drift. First, we present a linear variant of SLDC, which learns a linear operator by solving a regularized least-squares problem that maps features before and after fine-tuning. Next, we extend this with a weakly nonlinear SLDC variant, which assumes that the ideal transition operator lies between purely linear and fully nonlinear transformations. This is implemented using learnable, weakly nonlinear mappings that balance flexibility and generalization. To further reduce representation drift, we apply knowledge distillation (KD) in both algorithmic variants. Extensive experiments on standard CIL benchmarks demonstrate that SLDC significantly improves the performance of SeqFT. Notably, by combining KD to address representation drift with SLDC to compensate distribution drift, SeqFT achieves performance comparable to joint training across all evaluated datasets. Code: https://github.com/raoxuan98-hash/sldc.git.

  • 7 authors
·
Nov 12, 2025

Frame forecasting in cine MRI using the PCA respiratory motion model: comparing recurrent neural networks trained online and transformers

Respiratory motion complicates accurate irradiation of thoraco-abdominal tumors during radiotherapy, as treatment-system latency entails target-location uncertainties. This work addresses frame forecasting in chest and liver cine MRI to compensate for such delays. We investigate RNNs trained with online learning algorithms, enabling adaptation to changing respiratory patterns via on-the-fly parameter updates, and transformers, increasingly common in time-series forecasting for their ability to capture long-term dependencies. Experiments used 12 sagittal thoracic and upper-abdominal cine-MRI sequences from ETH Zürich and OvGU; the OvGU data exhibited higher motion variability, noise, and lower contrast. PCA decomposes the Lucas-Kanade optical-flow field into static deformation modes and low-dimensional, time-dependent weights. We compare various methods for forecasting these weights: linear filters, population and sequence-specific transformer encoders, and RNNs trained with real-time recurrent learning (RTRL), unbiased online recurrent optimization, decoupled neural interfaces, and sparse one-step approximation (SnAp-1). Predicted displacements were used to warp the reference frame and generate future images. Prediction accuracy decreased with the horizon h. Linear regression performed best at short horizons (1.3mm geometrical error at h=0.32s, ETH Zürich dataset), while RTRL and SnAp-1 outperformed the other algorithms at medium-to-long horizons, with geometrical errors below 1.4mm and 2.8mm on the sequences from ETH Zürich and OvGU, respectively. The sequence-specific transformer was competitive for low-to-medium horizons, but transformers remained overall limited by data scarcity and domain shift between datasets. Predicted frames visually resembled the ground truth, with notable errors occurring near the diaphragm at end-inspiration and regions affected by out-of-plane motion.

  • 5 authors
·
Apr 14

Order Matters: Sequence to sequence for sets

Sequences have become first class citizens in supervised learning thanks to the resurgence of recurrent neural networks. Many complex tasks that require mapping from or to a sequence of observations can now be formulated with the sequence-to-sequence (seq2seq) framework which employs the chain rule to efficiently represent the joint probability of sequences. In many cases, however, variable sized inputs and/or outputs might not be naturally expressed as sequences. For instance, it is not clear how to input a set of numbers into a model where the task is to sort them; similarly, we do not know how to organize outputs when they correspond to random variables and the task is to model their unknown joint probability. In this paper, we first show using various examples that the order in which we organize input and/or output data matters significantly when learning an underlying model. We then discuss an extension of the seq2seq framework that goes beyond sequences and handles input sets in a principled way. In addition, we propose a loss which, by searching over possible orders during training, deals with the lack of structure of output sets. We show empirical evidence of our claims regarding ordering, and on the modifications to the seq2seq framework on benchmark language modeling and parsing tasks, as well as two artificial tasks -- sorting numbers and estimating the joint probability of unknown graphical models.

  • 3 authors
·
Nov 19, 2015

Towards a Principled Muon under μP: Ensuring Spectral Conditions throughout Training

The μ-parameterization (μP) provides a principled foundation for large language model (LLM) training by prescribing width-independent learning dynamics, which in turn enables predictable scaling behavior and robust hyperparameter transfer across model sizes. A central requirement of μP is the satisfaction of certain spectral conditions on weight matrices, which ensure consistent feature learning and optimization behavior as model width grows. While these conditions are well understood in theory, guaranteeing their validity in practical training for matrix-based optimizers such as Muon is still under studied. Existing works that study Muon under μP exhibit important limitations: they either do not ensure that the spectral conditions hold throughout the entire training horizon, or require repeated spectral normalization (or Newton-Schulz iterations) applied to both weights and updates, leading to significant computational overhead and reduced practicality. In this work, we show how to reliably guarantee the spectral conditions required by μP for Muon during the entire training process. Our key insight is that for moderately large models, maintaining spectral control at the level of optimizer updates alone is sufficient to preserve μP-compatible scaling, eliminating the need for explicit spectral normalization of the weights. Based on this principle, we develop a variant of Muon, namely Muon++, that satisfies spectral condition throughout the training process. Our results bridge the gap between the theoretical promises of μP and the practical deployment of matrix-based optimizers in long-horizon training. We also take the first step towards an adaptive spectral condition by incorporating data-dependent effects, making it better suited for long-horizon LLM training.

  • 1 authors
·
Jan 3

All elementary functions from a single binary operator

A single two-input gate suffices for all of Boolean logic in digital hardware. No comparable primitive has been known for continuous mathematics: computing elementary functions such as sin, cos, sqrt, and log has always required multiple distinct operations. Here I show that a single binary operator, eml(x,y)=exp(x)-ln(y), together with the constant 1, generates the standard repertoire of a scientific calculator. This includes constants such as e, pi, and i; arithmetic operations including addition, subtraction, multiplication, division, and exponentiation as well as the usual transcendental and algebraic functions. For example, exp(x)=eml(x,1), ln(x)=eml(1,eml(eml(1,x),1)), and likewise for all other operations. That such an operator exists was not anticipated; I found it by systematic exhaustive search and established constructively that it suffices for the concrete scientific-calculator basis. In EML (Exp-Minus-Log) form, every such expression becomes a binary tree of identical nodes, yielding a grammar as simple as S -> 1 | eml(S,S). This uniform structure also enables gradient-based symbolic regression: using EML trees as trainable circuits with standard optimizers (Adam), I demonstrate the feasibility of exact recovery of closed-form elementary functions from numerical data at shallow tree depths up to 4. The same architecture can fit arbitrary data, but when the generating law is elementary, it may recover the exact formula.

  • 1 authors
·
Apr 3

QMCPy: A Python Software for Randomized Low-Discrepancy Sequences, Quasi-Monte Carlo, and Fast Kernel Methods

Low-discrepancy (LD) sequences have been extensively used as efficient experimental designs across many scientific disciplines. QMCPy (https://qmcsoftware.github.io/QMCSoftware/) is an accessible Python library which provides a unified implementation of randomized LD sequences, automatic variable transformations, adaptive Quasi-Monte Carlo error estimation algorithms, and fast kernel methods. This article focuses on recent updates to QMCPy which broaden support for randomized LD sequences and add new tools to enable fast kernel methods using LD sequences. Specifically, we give a unified description of the supported LD lattices, digital nets, and Halton point sets, along with randomization options including random permutations / shifts, linear matrix scrambling (LMS), and nested uniform scrambling (NUS). We also support higher-order digital nets, higher-order scrambling with LMS or NUS, and Halton scrambling with LMS or NUS. For fast kernel methods, we provide shift-invariant (SI) and digitally-shift-invariant (DSI) kernels, including a new set of higher-order smoothness DSI kernels. When SI and DSI kernels are respectively paired with n LD lattice and digital net points, the resulting Gram matrices permit multiplication and inversion at only O(n log n) cost. These fast operations utilize QMCPy's implementation of the fast Fourier transform in bit-reversed order (FFTBR), inverse FFTBR (IFFTBR), and fast Walsh--Hadamard transform (FWHT).

  • 1 authors
·
Feb 19, 2025