Daily Papers

Diagnosing deep neural networks (DNNs) through the eigenspectrum of weight matrices has been an active area of research in recent years. At a high level, eigenspectrum analysis of DNNs involves measuring the heavytailness of the empirical spectral densities (ESD) of weight matrices. It provides insight into how well a model is trained and can guide decisions on assigning better layer-wise training hyperparameters. In this paper, we address a challenge associated with such eigenspectrum methods: the impact of the aspect ratio of weight matrices on estimated heavytailness metrics. We demonstrate that matrices of varying sizes (and aspect ratios) introduce a non-negligible bias in estimating heavytailness metrics, leading to inaccurate model diagnosis and layer-wise hyperparameter assignment. To overcome this challenge, we propose FARMS (Fixed-Aspect-Ratio Matrix Subsampling), a method that normalizes the weight matrices by subsampling submatrices with a fixed aspect ratio. Instead of measuring the heavytailness of the original ESD, we measure the average ESD of these subsampled submatrices. We show that measuring the heavytailness of these submatrices with the fixed aspect ratio can effectively mitigate the aspect ratio bias. We validate our approach across various optimization techniques and application domains that involve eigenspectrum analysis of weights, including image classification in computer vision (CV) models, scientific machine learning (SciML) model training, and large language model (LLM) pruning. Our results show that despite its simplicity, FARMS uniformly improves the accuracy of eigenspectrum analysis while enabling more effective layer-wise hyperparameter assignment in these application domains. In one of the LLM pruning experiments, FARMS reduces the perplexity of the LLaMA-7B model by 17.3% when compared with the state-of-the-art method.

Molecular structure elucidation from spectra is a foundational problem in chemistry, with profound implications for compound identification, synthesis, and drug development. Traditional methods rely heavily on expert interpretation and lack scalability. Pioneering machine learning methods have introduced retrieval-based strategies, but their reliance on finite libraries limits generalization to novel molecules. Generative models offer a promising alternative, yet most adopt autoregressive SMILES-based architectures that overlook 3D geometry and struggle to integrate diverse spectral modalities. In this work, we present DiffSpectra, a generative framework that directly infers both 2D and 3D molecular structures from multi-modal spectral data using diffusion models. DiffSpectra formulates structure elucidation as a conditional generation process. Its denoising network is parameterized by Diffusion Molecule Transformer, an SE(3)-equivariant architecture that integrates topological and geometric information. Conditioning is provided by SpecFormer, a transformer-based spectral encoder that captures intra- and inter-spectral dependencies from multi-modal spectra. Extensive experiments demonstrate that DiffSpectra achieves high accuracy in structure elucidation, recovering exact structures with 16.01% top-1 accuracy and 96.86% top-20 accuracy through sampling. The model benefits significantly from 3D geometric modeling, SpecFormer pre-training, and multi-modal conditioning. These results highlight the effectiveness of spectrum-conditioned diffusion modeling in addressing the challenge of molecular structure elucidation. To our knowledge, DiffSpectra is the first framework to unify multi-modal spectral reasoning and joint 2D/3D generative modeling for de novo molecular structure elucidation.

In recent years, the demand for hyperspectral imaging devices has grown significantly, driven by their ability of capturing high-resolution spectral information. Among the several possible optical designs for acquiring hyperspectral images, there is a growing interest in interferometric spectral imaging systems based on division of aperture. These systems have the advantage of capturing snapshot acquisitions while maintaining a compact design. However, they require a careful calibration to operate properly. In this work, we present the interferometer response characterization algorithm (IRCA), a robust three-step procedure designed to characterize the transmittance response of multi-aperture imaging spectrometers based on the interferometry of Fabry-Perot. Additionally, we propose a formulation of the image formation model for such devices suitable to estimate the parameters of interest by considering the model under various regimes of finesse. The proposed algorithm processes the image output obtained from a set of monochromatic light sources and refines the results using nonlinear regression after an ad-hoc initialization. Through experimental analysis conducted on four different prototypes from the Image SPectrometer On Chip (ImSPOC) family, we validate the performance of our approach for characterization. The associated source code for this paper is available at https://github.com/danaroth83/irca.

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.

Several recent studies advocate the use of spectral discriminators, which evaluate the Fourier spectra of images for generative modeling. However, the effectiveness of the spectral discriminators is not well interpreted yet. We tackle this issue by examining the spectral discriminators in the context of perceptual image super-resolution (i.e., GAN-based SR), as SR image quality is susceptible to spectral changes. Our analyses reveal that the spectral discriminator indeed performs better than the ordinary (a.k.a. spatial) discriminator in identifying the differences in the high-frequency range; however, the spatial discriminator holds an advantage in the low-frequency range. Thus, we suggest that the spectral and spatial discriminators shall be used simultaneously. Moreover, we improve the spectral discriminators by first calculating the patch-wise Fourier spectrum and then aggregating the spectra by Transformer. We verify the effectiveness of the proposed method twofold. On the one hand, thanks to the additional spectral discriminator, our obtained SR images have their spectra better aligned to those of the real images, which leads to a better PD tradeoff. On the other hand, our ensembled discriminator predicts the perceptual quality more accurately, as evidenced in the no-reference image quality assessment task.

We present a new method for generating emission spectra from polycyclic aromatic hydrocarbons (PAHs) in arbitrary radiation fields. We utilize the single-photon limit for PAH heating and emission to treat individual photon absorptions as independent events. This allows the construction of a set of single-photon emission "basis spectra" that can be scaled to produce an output emission spectrum given any input heating spectrum. We find that this method produces agreement with PAH emission spectra computed accounting for multi-photon effects to within simeq10% in the 3-20~{rm mu m} wavelength range for radiation fields with intensity U<100. We use this framework to explore the dependence of PAH band ratios on the radiation field spectrum across grain sizes, finding in particular a strong dependence of the 3.3 to 11.2~mum band ratio on radiation field hardness. A Python-based tool and a set of basis spectra that can be used to generate these emission spectra are made publicly available.

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.

Hyperspectral unmixing is one of the crucial steps for many hyperspectral applications. The problem of hyperspectral unmixing has proven to be a difficult task in unsupervised work settings where the endmembers and abundances are both unknown. What is more, this task becomes more challenging in the case that the spectral bands are degraded with noise. This paper presents a robust model for unsupervised hyperspectral unmixing. Specifically, our model is developed with the correntropy based metric where the non-negative constraints on both endmembers and abundances are imposed to keep physical significance. In addition, a sparsity prior is explicitly formulated to constrain the distribution of the abundances of each endmember. To solve our model, a half-quadratic optimization technique is developed to convert the original complex optimization problem into an iteratively re-weighted NMF with sparsity constraints. As a result, the optimization of our model can adaptively assign small weights to noisy bands and give more emphasis on noise-free bands. In addition, with sparsity constraints, our model can naturally generate sparse abundances. Experiments on synthetic and real data demonstrate the effectiveness of our model in comparison to the related state-of-the-art unmixing models.

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.

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.

This paper studies sequence modeling for prediction tasks with long range dependencies. We propose a new formulation for state space models (SSMs) based on learning linear dynamical systems with the spectral filtering algorithm (Hazan et al. (2017)). This gives rise to a novel sequence prediction architecture we call a spectral state space model. Spectral state space models have two primary advantages. First, they have provable robustness properties as their performance depends on neither the spectrum of the underlying dynamics nor the dimensionality of the problem. Second, these models are constructed with fixed convolutional filters that do not require learning while still outperforming SSMs in both theory and practice. The resulting models are evaluated on synthetic dynamical systems and long-range prediction tasks of various modalities. These evaluations support the theoretical benefits of spectral filtering for tasks requiring very long range memory.

Whitening loss offers a theoretical guarantee against feature collapse in self-supervised learning (SSL) with joint embedding architectures. Typically, it involves a hard whitening approach, transforming the embedding and applying loss to the whitened output. In this work, we introduce Spectral Transformation (ST), a framework to modulate the spectrum of embedding and to seek for functions beyond whitening that can avoid dimensional collapse. We show that whitening is a special instance of ST by definition, and our empirical investigations unveil other ST instances capable of preventing collapse. Additionally, we propose a novel ST instance named IterNorm with trace loss (INTL). Theoretical analysis confirms INTL's efficacy in preventing collapse and modulating the spectrum of embedding toward equal-eigenvalues during optimization. Our experiments on ImageNet classification and COCO object detection demonstrate INTL's potential in learning superior representations. The code is available at https://github.com/winci-ai/INTL.

From the dynamics of a broad class of classical mean-field glass models one may obtain a quantum model with finite zero-temperature entropy, a quantum transition at zero temperature, and a time-reparametrization (quasi-)invariance in the dynamical equations for correlations. The low eigenvalue spectrum of the resulting quantum model is directly related to the structure and exploration of metastable states in the landscape of the original classical glass model. This mapping reveals deep connections between classical glasses and the properties of SYK-like models.

Hyperspectral Unmixing (HU) has received increasing attention in the past decades due to its ability of unveiling information latent in hyperspectral data. Unfortunately, most existing methods fail to take advantage of the spatial information in data. To overcome this limitation, we propose a Structured Sparse regularized Nonnegative Matrix Factorization (SS-NMF) method from the following two aspects. First, we incorporate a graph Laplacian to encode the manifold structures embedded in the hyperspectral data space. In this way, the highly similar neighboring pixels can be grouped together. Second, the lasso penalty is employed in SS-NMF for the fact that pixels in the same manifold structure are sparsely mixed by a common set of relevant bases. These two factors act as a new structured sparse constraint. With this constraint, our method can learn a compact space, where highly similar pixels are grouped to share correlated sparse representations. Experiments on real hyperspectral data sets with different noise levels demonstrate that our method outperforms the state-of-the-art methods significantly.

Establishing the relationship between 3D structures and the energy states of molecular systems has proven to be a promising approach for learning 3D molecular representations. However, existing methods are limited to modeling the molecular energy states from classical mechanics. This limitation results in a significant oversight of quantum mechanical effects, such as quantized (discrete) energy level structures, which offer a more accurate estimation of molecular energy and can be experimentally measured through energy spectra. In this paper, we propose to utilize the energy spectra to enhance the pre-training of 3D molecular representations (MolSpectra), thereby infusing the knowledge of quantum mechanics into the molecular representations. Specifically, we propose SpecFormer, a multi-spectrum encoder for encoding molecular spectra via masked patch reconstruction. By further aligning outputs from the 3D encoder and spectrum encoder using a contrastive objective, we enhance the 3D encoder's understanding of molecules. Evaluations on public benchmarks reveal that our pre-trained representations surpass existing methods in predicting molecular properties and modeling dynamics.

We point out that the Lyapunov exponent of the eigenstate places restrictions on the eigenvalue. Consequently, with regard to non-Hermitian systems, even without any symmetry, the non-conservative Hamiltonians can exhibit real spectra as long as Lyapunov exponents of eigenstates inhibit imaginary parts of eigenvalues. Our findings open up a new route to study non-Hermitian physics.

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}.

Geospatial raster data, such as that collected by satellite-based imaging systems at different times and spectral bands, hold immense potential for enabling a wide range of high-impact applications. This potential stems from the rich information that is spatially and temporally contextualized across multiple channels and sensing modalities. Recent work has adapted existing self-supervised learning approaches for such geospatial data. However, they fall short of scalable model architectures, leading to inflexibility and computational inefficiencies when faced with an increasing number of channels and modalities. To address these limitations, we introduce Low-rank Efficient Spatial-Spectral Vision Transformer with three key innovations: i) the LESS Attention Block that approximates high-dimensional spatial-spectral attention through Kronecker's product of the low-dimensional spatial and spectral attention components; ii) the Continuous Positional-Channel Embedding Layer that preserves both the continuity and physical characteristics of each spatial-spectral patch; and iii) the Perception Field Mask that exploits local spatial dependencies by constraining attention to neighboring patches. To evaluate the proposed innovations, we construct GFM-Bench, which serves as a comprehensive benchmark for such geospatial raster data. We pretrain LESS ViT using a Hyperspectral Masked Autoencoder framework with integrated positional and channel masking strategies. Experimental results demonstrate that our proposed method achieves competitive performance against state-of-the-art multi-modal geospatial foundation models while outperforming them on cross-satellite generalization tasks with higher computational efficiency. The flexibility and extensibility of our framework make it a promising direction for future geospatial data analysis tasks that involve a wide range of modalities and channels.

As large language models (LLMs) become increasingly deployed across various industries, concerns regarding their reliability, particularly due to hallucinations-outputs that are factually inaccurate or irrelevant to user input-have grown. Our research investigates the relationship between the training process and the emergence of hallucinations to address a key gap in existing research that focuses primarily on post hoc detection and mitigation strategies. Using models from the Pythia suite (70M-12B parameters) and several hallucination detection metrics, we analyze hallucination trends throughout training and explore LLM internal dynamics. We introduce SEnsitive Neuron Dropout (SeND), a novel training protocol designed to mitigate hallucinations by reducing variance during training. SeND achieves this by deterministically dropping neurons with significant variability on a dataset, referred to as Sensitive Neurons. In addition, we develop an unsupervised hallucination detection metric, Efficient EigenScore (EES), which approximates the traditional EigenScore in 2x speed. This efficient metric is integrated into our protocol, allowing SeND to be both computationally scalable and effective at reducing hallucinations. Our empirical evaluation demonstrates that our approach improves LLM reliability at test time by up to 40% compared to normal training while also providing an efficient method to improve factual accuracy when adapting LLMs to domains such as Wikipedia and Medical datasets.

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.

Hyperspectral image denoising is unique for the highly similar and correlated spectral information that should be properly considered. However, existing methods show limitations in exploring the spectral correlations across different bands and feature interactions within each band. Besides, the low- and high-level features usually exhibit different importance for different spatial-spectral regions, which is not fully explored for current algorithms as well. In this paper, we present a Mixed Attention Network (MAN) that simultaneously considers the inter- and intra-spectral correlations as well as the interactions between low- and high-level spatial-spectral meaningful features. Specifically, we introduce a multi-head recurrent spectral attention that efficiently integrates the inter-spectral features across all the spectral bands. These features are further enhanced with a progressive spectral channel attention by exploring the intra-spectral relationships. Moreover, we propose an attentive skip-connection that adaptively controls the proportion of the low- and high-level spatial-spectral features from the encoder and decoder to better enhance the aggregated features. Extensive experiments show that our MAN outperforms existing state-of-the-art methods on simulated and real noise settings while maintaining a low cost of parameters and running time.

Hyperspectral pansharpening has received much attention in recent years due to technological and methodological advances that open the door to new application scenarios. However, research on this topic is only now gaining momentum. The most popular methods are still borrowed from the more mature field of multispectral pansharpening and often overlook the unique challenges posed by hyperspectral data fusion, such as i) the very large number of bands, ii) the overwhelming noise in selected spectral ranges, iii) the significant spectral mismatch between panchromatic and hyperspectral components, iv) a typically high resolution ratio. Imprecise data modeling especially affects spectral fidelity. Even state-of-the-art methods perform well in certain spectral ranges and much worse in others, failing to ensure consistent quality across all bands, with the risk of generating unreliable results. Here, we propose a hyperspectral pansharpening method that explicitly addresses this problem and ensures uniform spectral quality. To this end, a single lightweight neural network is used, with weights that adapt on the fly to each band. During fine-tuning, the spatial loss is turned on and off to ensure a fast convergence of the spectral loss to the desired level, according to a hysteresis-like dynamic. Furthermore, the spatial loss itself is appropriately redefined to account for nonlinear dependencies between panchromatic and spectral bands. Overall, the proposed method is fully unsupervised, with no prior training on external data, flexible, and low-complexity. Experiments on a recently published benchmarking toolbox show that it ensures excellent sharpening quality, competitive with the state-of-the-art, consistently across all bands. The software code and the full set of results are shared online on https://github.com/giu-guarino/rho-PNN.

Off-resonance artifacts in magnetic resonance imaging (MRI) are visual distortions that occur when the actual resonant frequencies of spins within the imaging volume differ from the expected frequencies used to encode spatial information. These discrepancies can be caused by a variety of factors, including magnetic field inhomogeneities, chemical shifts, or susceptibility differences within the tissues. Such artifacts can manifest as blurring, ghosting, or misregistration of the reconstructed image, and they often compromise its diagnostic quality. We propose to resolve these artifacts by lifting the 2D MRI reconstruction problem to 3D, introducing an additional "spectral" dimension to model this off-resonance. Our approach is inspired by recent progress in modeling radiance fields, and is capable of reconstructing both static and dynamic MR images as well as separating fat and water, which is of independent clinical interest. We demonstrate our approach in the context of PROPELLER (Periodically Rotated Overlapping ParallEL Lines with Enhanced Reconstruction) MRI acquisitions, which are popular for their robustness to motion artifacts. Our method operates in a few minutes on a single GPU, and to our knowledge is the first to correct for chemical shift in gradient echo PROPELLER MRI reconstruction without additional measurements or pretraining data.

Recent works have established that AI models introduce spectral artifacts into generated images and propose approaches for learning to capture them using labeled data. However, the significant differences in such artifacts among different generative models hinder these approaches from generalizing to generators not seen during training. In this work, we build upon the key idea that the spectral distribution of real images constitutes both an invariant and highly discriminative pattern for AI-generated image detection. To model this under a self-supervised setup, we employ masked spectral learning using the pretext task of frequency reconstruction. Since generated images constitute out-of-distribution samples for this model, we propose spectral reconstruction similarity to capture this divergence. Moreover, we introduce spectral context attention, which enables our approach to efficiently capture subtle spectral inconsistencies in images of any resolution. Our spectral AI-generated image detection approach (SPAI) achieves a 5.5% absolute improvement in AUC over the previous state-of-the-art across 13 recent generative approaches, while exhibiting robustness against common online perturbations. Code is available on https://mever-team.github.io/spai.

Recent space-borne and ground-based observations provide photometric measurements as time series. The effect of interstellar dust extinction in the near-infrared range is only 10% of that measured in the V band. However, the sensitivity of the light curve shape to the physical parameters in the near-infrared is much lower. So, interpreting these types of data sets requires new approaches like the different large-scale surveys, which create similar problems with big data. Using a selected data set, we provide a method for applying routines implemented in R to extract most information of measurements to determine physical parameters, which can also be used in automatic classification schemes and pipeline processing. We made a multivariate classification of 131 Cepheid light curves (LC) in J, H, and K colors, where all the LCs were represented in 20D parameter space in these colors separately. Performing a Principal Component Analysis (PCA), we got an orthogonal coordinate system and squared Euclidean distances between LCs, with 6 significant eigenvalues, reducing the 20-dimension to 6. We also estimated the optimal number of partitions of similar objects and found it to be equal to 7 in each color; their dependence on the period, absolute magnitude, amplitude, and metallicity are also discussed. We computed the Spearman rank correlations, showing that periods and absolute magnitudes correlate with the first three PCs significantly. The first two PC are also found to have a relationship with the amplitude, but the metallicity effects are only marginal. The method shown can be generalized and implemented in unsupervised classification schemes and analysis of mixed and biased samples. The analysis of our Classical Cepheid near-infrared LC sample showed that the J, H, K curves are insufficient for determination of stellar metallicity, with mass being the key factor shaping them.

The recent surge in contrast-based graph self-supervised learning has prominently featured an intensified exploration of spectral cues. Spectral augmentation, which involves modifying a graph's spectral properties such as eigenvalues or eigenvectors, is widely believed to enhance model performance. However, an intriguing paradox emerges, as methods grounded in seemingly conflicting assumptions regarding the spectral domain demonstrate notable enhancements in learning performance. Through extensive empirical studies, we find that simple edge perturbations - random edge dropping for node-level and random edge adding for graph-level self-supervised learning - consistently yield comparable or superior performance while being significantly more computationally efficient. This suggests that the computational overhead of sophisticated spectral augmentations may not justify their practical benefits. Our theoretical analysis of the InfoNCE loss bounds for shallow GNNs further supports this observation. The proposed insights represent a significant leap forward in the field, potentially refining the understanding and implementation of graph self-supervised learning.

Hyperspectral images (HSI) provide rich spectral information that contributed to the successful performance improvement of numerous computer vision tasks. However, it can only be achieved at the expense of images' spatial resolution. Hyperspectral image super-resolution (HSI-SR) addresses this problem by fusing low resolution (LR) HSI with multispectral image (MSI) carrying much higher spatial resolution (HR). All existing HSI-SR approaches require the LR HSI and HR MSI to be well registered and the reconstruction accuracy of the HR HSI relies heavily on the registration accuracy of different modalities. This paper exploits the uncharted problem domain of HSI-SR without the requirement of multi-modality registration. Given the unregistered LR HSI and HR MSI with overlapped regions, we design a unique unsupervised learning structure linking the two unregistered modalities by projecting them into the same statistical space through the same encoder. The mutual information (MI) is further adopted to capture the non-linear statistical dependencies between the representations from two modalities (carrying spatial information) and their raw inputs. By maximizing the MI, spatial correlations between different modalities can be well characterized to further reduce the spectral distortion. A collaborative l_{2,1} norm is employed as the reconstruction error instead of the more common l_2 norm, so that individual pixels can be recovered as accurately as possible. With this design, the network allows to extract correlated spectral and spatial information from unregistered images that better preserves the spectral information. The proposed method is referred to as unregistered and unsupervised mutual Dirichlet Net (u^2-MDN). Extensive experimental results using benchmark HSI datasets demonstrate the superior performance of u^2-MDN as compared to the state-of-the-art.

Image datasets are essential not only in validating existing methods in computer vision but also in developing new methods. Most existing image datasets focus on trichromatic intensity images to mimic human vision. However, polarization and spectrum, the wave properties of light that animals in harsh environments and with limited brain capacity often rely on, remain underrepresented in existing datasets. Although spectro-polarimetric datasets exist, these datasets have insufficient object diversity, limited illumination conditions, linear-only polarization data, and inadequate image count. Here, we introduce two spectro-polarimetric datasets: trichromatic Stokes images and hyperspectral Stokes images. These novel datasets encompass both linear and circular polarization; they introduce multiple spectral channels; and they feature a broad selection of real-world scenes. With our dataset in hand, we analyze the spectro-polarimetric image statistics, develop efficient representations of such high-dimensional data, and evaluate spectral dependency of shape-from-polarization methods. As such, the proposed dataset promises a foundation for data-driven spectro-polarimetric imaging and vision research. Dataset and code will be publicly available.

Hyperspectral sensors have enjoyed widespread use in the realm of remote sensing; however, they must be adapted to a format in which they can be operated onboard mobile robots. In this work, we introduce a first-of-its-kind system architecture with snapshot hyperspectral cameras and point spectrometers to efficiently generate composite datacubes from a robotic base. Our system collects and registers datacubes spanning the visible to shortwave infrared (660-1700 nm) spectrum while simultaneously capturing the ambient solar spectrum reflected off a white reference tile. We collect and disseminate a large dataset of more than 500 labeled datacubes from on-road and off-road terrain compliant with the ATLAS ontology to further the integration and demonstration of hyperspectral imaging (HSI) as beneficial in terrain class separability. Our analysis of this data demonstrates that HSI is a significant opportunity to increase understanding of scene composition from a robot-centric context. All code and data are open source online: https://river-lab.github.io/hyper_drive_data

Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student t mixture or Gaussian mixture. We apply the inverse Fourier transform to obtain the covariance function (by Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. Next, we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to promote computational efficiency and scalability, without low-rank approximations. We show the advantage of our method in systematic experiments. The code is released at https://github.com/xuangu-fang/Gaussian-Process-Slover-for-High-Freq-PDE.

We look at the eigenvalues of the Hessian of a loss function before and after training. The eigenvalue distribution is seen to be composed of two parts, the bulk which is concentrated around zero, and the edges which are scattered away from zero. We present empirical evidence for the bulk indicating how over-parametrized the system is, and for the edges that depend on the input data.

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.

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.

We report an optical method of generating arbitrary polarization states by manipulating the thicknesses of a pair of uniaxial birefringent plates, the optical axes of which are set at a crossing angle of {\pi}/4. The method has the remarkable feature of being able to generate a distribution of arbitrary polarization states in a group of highly discrete spectra without spatially separating the individual spectral components. The target polarization-state distribution is obtained as an optimal solution through an exploration. Within a realistic exploration range, a sufficient number of near-optimal solutions are found. This property is also reproduced well by a concise model based on a distribution of exploration points on a Poincar\'e sphere, showing that the number of near-optimal solutions behaves according to a power law with respect to the number of spectral components of concern. As a typical example of an application, by applying this method to a set of phase-locked highly discrete spectra, we numerically demonstrate the continuous generation of a vector-like optical electric field waveform, the helicity of which is alternated within a single optical cycle in the time domain.

One technique to visualize the training of neural networks is to perform PCA on the parameters over the course of training and to project to the subspace spanned by the first few PCA components. In this paper we compare this technique to the PCA of a high dimensional random walk. We compute the eigenvalues and eigenvectors of the covariance of the trajectory and prove that in the long trajectory and high dimensional limit most of the variance is in the first few PCA components, and that the projection of the trajectory onto any subspace spanned by PCA components is a Lissajous curve. We generalize these results to a random walk with momentum and to an Ornstein-Uhlenbeck processes (i.e., a random walk in a quadratic potential) and show that in high dimensions the walk is not mean reverting, but will instead be trapped at a fixed distance from the minimum. We finally compare the distribution of PCA variances and the PCA projected training trajectories of a linear model trained on CIFAR-10 and ResNet-50-v2 trained on Imagenet and find that the distribution of PCA variances resembles a random walk with drift.

Remote individual animal identification is important for food safety, sport, and animal conservation. Numerous existing remote individual animal identification studies have focused on RGB images. In this paper, we tackle individual penguin identification using hyperspectral (HS) images. To the best of our knowledge, it is the first work to analyze spectral differences between penguin individuals using an HS camera. We have constructed a novel penguin HS image dataset, including 990 hyperspectral images of 27 penguins. We experimentally demonstrate that the spectral information of HS image pixels can be used for individual penguin identification. The experimental results show the effectiveness of using HS images for individual penguin identification. The dataset and source code are available here: https://033labcodes.github.io/igrass24_penguin/

Satellite remote sensing missions have gained popularity over the past fifteen years due to their ability to cover large swaths of land at regular intervals, making them ideal for monitoring environmental trends. The FINCH mission, a 3U+ CubeSat equipped with a hyperspectral camera, aims to monitor crop residue cover in agricultural fields. Although hyperspectral imaging captures both spectral and spatial information, it is prone to various types of noise, including random noise, stripe noise, and dead pixels. Effective denoising of these images is crucial for downstream scientific tasks. Traditional methods, including hand-crafted techniques encoding strong priors, learned 2D image denoising methods applied across different hyperspectral bands, or diffusion generative models applied independently on bands, often struggle with varying noise strengths across spectral bands, leading to significant spectral distortion. This paper presents a novel approach to hyperspectral image denoising using latent diffusion models that integrate spatial and spectral information. We particularly do so by building a 3D diffusion model and presenting a 3-stage training approach on real and synthetically crafted datasets. The proposed method preserves image structure while reducing noise. Evaluations on both popular hyperspectral denoising datasets and synthetically crafted datasets for the FINCH mission demonstrate the effectiveness of this approach.

Transformers can learn to perform numerical computations from examples only. I study nine problems of linear algebra, from basic matrix operations to eigenvalue decomposition and inversion, and introduce and discuss four encoding schemes to represent real numbers. On all problems, transformers trained on sets of random matrices achieve high accuracies (over 90%). The models are robust to noise, and can generalize out of their training distribution. In particular, models trained to predict Laplace-distributed eigenvalues generalize to different classes of matrices: Wigner matrices or matrices with positive eigenvalues. The reverse is not true.

Plant traits such as leaf carbon content and leaf mass are essential variables in the study of biodiversity and climate change. However, conventional field sampling cannot feasibly cover trait variation at ecologically meaningful spatial scales. Machine learning represents a valuable solution for plant trait prediction across ecosystems, leveraging hyperspectral data from remote sensing. Nevertheless, trait prediction from hyperspectral data is challenged by label scarcity and substantial domain shifts (\eg across sensors, ecological distributions), requiring robust cross-domain methods. Here, we present GreenHyperSpectra, a pretraining dataset encompassing real-world cross-sensor and cross-ecosystem samples designed to benchmark trait prediction with semi- and self-supervised methods. We adopt an evaluation framework encompassing in-distribution and out-of-distribution scenarios. We successfully leverage GreenHyperSpectra to pretrain label-efficient multi-output regression models that outperform the state-of-the-art supervised baseline. Our empirical analyses demonstrate substantial improvements in learning spectral representations for trait prediction, establishing a comprehensive methodological framework to catalyze research at the intersection of representation learning and plant functional traits assessment. All code and data are available at: https://github.com/echerif18/HyspectraSSL.

Hyperspectral image (HSI) restoration aims at recovering clean images from degraded observations and plays a vital role in downstream tasks. Existing model-based methods have limitations in accurately modeling the complex image characteristics with handcraft priors, and deep learning-based methods suffer from poor generalization ability. To alleviate these issues, this paper proposes an unsupervised HSI restoration framework with pre-trained diffusion model (HIR-Diff), which restores the clean HSIs from the product of two low-rank components, i.e., the reduced image and the coefficient matrix. Specifically, the reduced image, which has a low spectral dimension, lies in the image field and can be inferred from our improved diffusion model where a new guidance function with total variation (TV) prior is designed to ensure that the reduced image can be well sampled. The coefficient matrix can be effectively pre-estimated based on singular value decomposition (SVD) and rank-revealing QR (RRQR) factorization. Furthermore, a novel exponential noise schedule is proposed to accelerate the restoration process (about 5times acceleration for denoising) with little performance decrease. Extensive experimental results validate the superiority of our method in both performance and speed on a variety of HSI restoration tasks, including HSI denoising, noisy HSI super-resolution, and noisy HSI inpainting. The code is available at https://github.com/LiPang/HIRDiff.

Despite the proven significance of hyperspectral images (HSIs) in performing various computer vision tasks, its potential is adversely affected by the low-resolution (LR) property in the spatial domain, resulting from multiple physical factors. Inspired by recent advancements in deep generative models, we propose an HSI Super-resolution (SR) approach with Conditional Diffusion Models (HSR-Diff) that merges a high-resolution (HR) multispectral image (MSI) with the corresponding LR-HSI. HSR-Diff generates an HR-HSI via repeated refinement, in which the HR-HSI is initialized with pure Gaussian noise and iteratively refined. At each iteration, the noise is removed with a Conditional Denoising Transformer (CDF ormer) that is trained on denoising at different noise levels, conditioned on the hierarchical feature maps of HR-MSI and LR-HSI. In addition, a progressive learning strategy is employed to exploit the global information of full-resolution images. Systematic experiments have been conducted on four public datasets, demonstrating that HSR-Diff outperforms state-of-the-art methods.

Entropy and mutual information in neural networks provide rich information on the learning process, but they have proven difficult to compute reliably in high dimensions. Indeed, in noisy and high-dimensional data, traditional estimates in ambient dimensions approach a fixed entropy and are prohibitively hard to compute. To address these issues, we leverage data geometry to access the underlying manifold and reliably compute these information-theoretic measures. Specifically, we define diffusion spectral entropy (DSE) in neural representations of a dataset as well as diffusion spectral mutual information (DSMI) between different variables representing data. First, we show that they form noise-resistant measures of intrinsic dimensionality and relationship strength in high-dimensional simulated data that outperform classic Shannon entropy, nonparametric estimation, and mutual information neural estimation (MINE). We then study the evolution of representations in classification networks with supervised learning, self-supervision, or overfitting. We observe that (1) DSE of neural representations increases during training; (2) DSMI with the class label increases during generalizable learning but stays stagnant during overfitting; (3) DSMI with the input signal shows differing trends: on MNIST it increases, while on CIFAR-10 and STL-10 it decreases. Finally, we show that DSE can be used to guide better network initialization and that DSMI can be used to predict downstream classification accuracy across 962 models on ImageNet. The official implementation is available at https://github.com/ChenLiu-1996/DiffusionSpectralEntropy.

Neural Radiance Field (NeRF)-based segmentation methods focus on object semantics and rely solely on RGB data, lacking intrinsic material properties. This limitation restricts accurate material perception, which is crucial for robotics, augmented reality, simulation, and other applications. We introduce UnMix-NeRF, a framework that integrates spectral unmixing into NeRF, enabling joint hyperspectral novel view synthesis and unsupervised material segmentation. Our method models spectral reflectance via diffuse and specular components, where a learned dictionary of global endmembers represents pure material signatures, and per-point abundances capture their distribution. For material segmentation, we use spectral signature predictions along learned endmembers, allowing unsupervised material clustering. Additionally, UnMix-NeRF enables scene editing by modifying learned endmember dictionaries for flexible material-based appearance manipulation. Extensive experiments validate our approach, demonstrating superior spectral reconstruction and material segmentation to existing methods. Project page: https://www.factral.co/UnMix-NeRF.

In this paper, we propose a speed-up approach for subclass discriminant analysis and formulate a novel efficient multi-view solution to it. The speed-up approach is developed based on graph embedding and spectral regression approaches that involve eigendecomposition of the corresponding Laplacian matrix and regression to its eigenvectors. We show that by exploiting the structure of the between-class Laplacian matrix, the eigendecomposition step can be substituted with a much faster process. Furthermore, we formulate a novel criterion for multi-view subclass discriminant analysis and show that an efficient solution for it can be obtained in a similar to the single-view manner. We evaluate the proposed methods on nine single-view and nine multi-view datasets and compare them with related existing approaches. Experimental results show that the proposed solutions achieve competitive performance, often outperforming the existing methods. At the same time, they significantly decrease the training time.

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.

We demonstrate a compact, cost-effective snapshot spectral imaging system named Aperture Diffraction Imaging Spectrometer (ADIS), which consists only of an imaging lens with an ultra-thin orthogonal aperture mask and a mosaic filter sensor, requiring no additional physical footprint compared to common RGB cameras. Then we introduce a new optical design that each point in the object space is multiplexed to discrete encoding locations on the mosaic filter sensor by diffraction-based spatial-spectral projection engineering generated from the orthogonal mask. The orthogonal projection is uniformly accepted to obtain a weakly calibration-dependent data form to enhance modulation robustness. Meanwhile, the Cascade Shift-Shuffle Spectral Transformer (CSST) with strong perception of the diffraction degeneration is designed to solve a sparsity-constrained inverse problem, realizing the volume reconstruction from 2D measurements with Large amount of aliasing. Our system is evaluated by elaborating the imaging optical theory and reconstruction algorithm with demonstrating the experimental imaging under a single exposure. Ultimately, we achieve the sub-super-pixel spatial resolution and high spectral resolution imaging. The code will be available at: https://github.com/Krito-ex/CSST.

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.

The sufficiently scattered condition (SSC) is a key condition in the study of identifiability of various matrix factorization problems, including nonnegative, minimum-volume, symmetric, simplex-structured, and polytopic matrix factorizations. The SSC allows one to guarantee that the computed matrix factorization is unique/identifiable, up to trivial ambiguities. However, this condition is NP-hard to check in general. In this paper, we show that it can however be checked in a reasonable amount of time in realistic scenarios, when the factorization rank is not too large. This is achieved by formulating the problem as a non-convex quadratic optimization problem over a bounded set. We use the global non-convex optimization software Gurobi, and showcase the usefulness of this code on synthetic data sets and on real-world hyperspectral images.

This work studies Hyperspectral image (HSI) super-resolution (SR). HSI SR is characterized by high-dimensional data and a limited amount of training examples. This exacerbates the undesirable behaviors of neural networks such as memorization and sensitivity to out-of-distribution samples. This work addresses these issues with three contributions. First, we observe that HSI SR and RGB image SR are correlated and develop a novel multi-tasking network to train them jointly so that the auxiliary task RGB image SR can provide additional supervision. Second, we propose a simple, yet effective data augmentation routine, termed Spectral Mixup, to construct effective virtual training samples to enlarge the training set. Finally, we extend the network to a semi-supervised setting so that it can learn from datasets containing only low-resolution HSIs. With these contributions, our method is able to learn from heterogeneous datasets and lift the requirement for having a large amount of HD HSI training samples. Extensive experiments on four standard datasets show that our method outperforms existing methods significantly and underpin the relevance of our contributions. Code has been made available at https://github.com/kli8996/HSISR.

We investigate spectral features of bottomonium at high temperature, in particular the thermal mass shift and width of ground state S-wave and P-wave state. We employ and compare a range of methods for determining these features from lattice NRQCD correlators, including direct correlator analyses (multi-exponential fits and moments of spectral functions), linear methods (Backus-Gilbert, Tikhonov and HLT methods), and Bayesian methods for spectral function reconstruction (MEM and BR). We comment on the reliability and limitations of the various methods.

Whenever we use devices to take measurements, calibration is indispensable. While the purpose of calibration is to reduce bias and uncertainty in the measurements, it can be quite difficult, expensive, and sometimes even impossible to implement. We study a challenging problem called self-calibration, i.e., the task of designing an algorithm for devices so that the algorithm is able to perform calibration automatically. More precisely, we consider the setup y = A(d) x + epsilon where only partial information about the sensing matrix A(d) is known and where A(d) linearly depends on d. The goal is to estimate the calibration parameter d (resolve the uncertainty in the sensing process) and the signal/object of interests x simultaneously. For three different models of practical relevance, we show how such a bilinear inverse problem, including blind deconvolution as an important example, can be solved via a simple linear least squares approach. As a consequence, the proposed algorithms are numerically extremely efficient, thus potentially allowing for real-time deployment. We also present a variation of the least squares approach, which leads to a~spectral method, where the solution to the bilinear inverse problem can be found by computing the singular vector associated with the smallest singular value of a certain matrix derived from the bilinear system. Explicit theoretical guarantees and stability theory are derived for both techniques; and the number of sampling complexity is nearly optimal (up to a poly-log factor). Applications in imaging sciences and signal processing are discussed and numerical simulations are presented to demonstrate the effectiveness and efficiency of our approach.

We examine the geometry of neural network training using the Jacobian of trained network parameters with respect to their initial values. Our analysis reveals low-dimensional structure in the training process which is dependent on the input data but largely independent of the labels. We find that the singular value spectrum of the Jacobian matrix consists of three distinctive regions: a "chaotic" region of values orders of magnitude greater than one, a large "bulk" region of values extremely close to one, and a "stable" region of values less than one. Along each bulk direction, the left and right singular vectors are nearly identical, indicating that perturbations to the initialization are carried through training almost unchanged. These perturbations have virtually no effect on the network's output in-distribution, yet do have an effect far out-of-distribution. While the Jacobian applies only locally around a single initialization, we find substantial overlap in bulk subspaces for different random seeds. Our code is available at https://github.com/EleutherAI/training-jacobian

Hyperspectral pansharpening consists of fusing a high-resolution panchromatic band and a low-resolution hyperspectral image to obtain a new image with high resolution in both the spatial and spectral domains. These remote sensing products are valuable for a wide range of applications, driving ever growing research efforts. Nonetheless, results still do not meet application demands. In part, this comes from the technical complexity of the task: compared to multispectral pansharpening, many more bands are involved, in a spectral range only partially covered by the panchromatic component and with overwhelming noise. However, another major limiting factor is the absence of a comprehensive framework for the rapid development and accurate evaluation of new methods. This paper attempts to address this issue. We started by designing a dataset large and diverse enough to allow reliable training (for data-driven methods) and testing of new methods. Then, we selected a set of state-of-the-art methods, following different approaches, characterized by promising performance, and reimplemented them in a single PyTorch framework. Finally, we carried out a critical comparative analysis of all methods, using the most accredited quality indicators. The analysis highlights the main limitations of current solutions in terms of spectral/spatial quality and computational efficiency, and suggests promising research directions. To ensure full reproducibility of the results and support future research, the framework (including codes, evaluation procedures and links to the dataset) is shared on https://github.com/matciotola/hyperspectral_pansharpening_toolbox, as a single Python-based reference benchmark toolbox.

Spatial-Spectral Mamba (SSM) improves computational efficiency and captures long-range dependencies, addressing Transformer limitations. However, traditional Mamba models overlook rich spectral information in HSIs and struggle with high dimensionality and sequential data. To address these issues, we propose the SSM with multi-head self-attention and token enhancement (MHSSMamba). This model integrates spectral and spatial information by enhancing spectral tokens and using multi-head attention to capture complex relationships between spectral bands and spatial locations. It also manages long-range dependencies and the sequential nature of HSI data, preserving contextual information across spectral bands. MHSSMamba achieved remarkable classification accuracies of 97.62\% on Pavia University, 96.92\% on the University of Houston, 96.85\% on Salinas, and 99.49\% on Wuhan-longKou datasets. The source code is available at https://github.com/MHassaanButt/MHA\_SS\_Mamba{GitHub}.

Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum is matched against spectra predicted computationally from a large database of chemical structures. However, current approaches to spectrum prediction model the output space in ways that force a tradeoff between capturing high resolution mass information and tractable learning. We resolve this tradeoff by casting spectrum prediction as a mapping from an input molecular graph to a probability distribution over molecular formulas. We discover that a large corpus of mass spectra can be closely approximated using a fixed vocabulary constituting only 2% of all observed formulas. This enables efficient spectrum prediction using an architecture similar to graph classification - GrAFF-MS - achieving significantly lower prediction error and orders-of-magnitude faster runtime than state-of-the-art methods.

Vegetation indices allow to efficiently monitor vegetation growth and agricultural activities. Previous generations of satellites were capturing a limited number of spectral bands, and a few expert-designed vegetation indices were sufficient to harness their potential. New generations of multi- and hyperspectral satellites can however capture additional bands, but are not yet efficiently exploited. In this work, we propose an explainable-AI-based method to select and design suitable vegetation indices. We first train a deep neural network using multispectral satellite data, then extract feature importance to identify the most influential bands. We subsequently select suitable existing vegetation indices or modify them to incorporate the identified bands and retrain our model. We validate our approach on a crop classification task. Our results indicate that models trained on individual indices achieve comparable results to the baseline model trained on all bands, while the combination of two indices surpasses the baseline in certain cases.

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.

Time series data, characterized by its intrinsic long and short-range dependencies, poses a unique challenge across analytical applications. While Transformer-based models excel at capturing long-range dependencies, they face limitations in noise sensitivity, computational efficiency, and overfitting with smaller datasets. In response, we introduce a novel Time Series Lightweight Adaptive Network (TSLANet), as a universal convolutional model for diverse time series tasks. Specifically, we propose an Adaptive Spectral Block, harnessing Fourier analysis to enhance feature representation and to capture both long-term and short-term interactions while mitigating noise via adaptive thresholding. Additionally, we introduce an Interactive Convolution Block and leverage self-supervised learning to refine the capacity of TSLANet for decoding complex temporal patterns and improve its robustness on different datasets. Our comprehensive experiments demonstrate that TSLANet outperforms state-of-the-art models in various tasks spanning classification, forecasting, and anomaly detection, showcasing its resilience and adaptability across a spectrum of noise levels and data sizes. The code is available at https://github.com/emadeldeen24/TSLANet

Cassiopeia A (Cas A) is the youngest known core-collapse supernova remnant (SNR) in the Galaxy and is perhaps the best-studied SNR in X-rays. Cas A has a line-rich spectrum dominated by thermal emission and given its high flux, it is an appealing target for high-resolution X-ray spectroscopy. Cas A was observed at two different locations during the Performance Verification phase of the XRISM mission, one location in the southeastern part (SE) of the remnant and one in the northwestern part (NW). This paper serves as an overview of these observations and discusses some of the issues relevant for the analysis of the data. We present maps of the so-called ``spatial-spectral mixing'' effect due to the fact that the XRISM point-spread function is larger than a pixel in the Resolve calorimeter array. We analyze spectra from two bright, on-axis regions such that the effects of spatial-spectral mixing are minimized. We find that it is critical to include redshifts/blueshifts and broadening of the emission lines in the two thermal components to achieve a reasonable fit given the high spectral resolution of the Resolve calorimeter. We fit the spectra with two versions of the AtomDB atomic database (3.0.9 and 3.1.0) and two versions of the SPEX (3.08.00 and 3.08.01*) spectral fitting software. Overall we find good agreement between AtomDB 3.1.0 and SPEX 3.08.01* for the spectral models considered in this paper. The most significant difference we found between AtomDB 3.0.9 and 3.1.0 and between AtomDB 3.1.0 and SPEX 3.08.01* is the Ni abundance, with the new atomic data favoring a considerably lower (up to a factor of 3) Ni abundance. Both regions exhibit significantly enhanced abundances compared to Solar values indicating that supernova ejecta dominate the emission in these regions. We find that the abundance ratios of Ti/Fe, Mn/Fe, \& Ni/Fe are significantly lower in the NW than the SE.

Spectral analysis provides one of the most effective paradigms for information-preserving dimensionality reduction, as simple descriptions of naturally occurring signals are often obtained via few terms of periodic basis functions. In this work, we study deep neural networks designed to harness the structure in frequency domain for efficient learning of long-range correlations in space or time: frequency-domain models (FDMs). Existing FDMs are based on complex-valued transforms i.e. Fourier Transforms (FT), and layers that perform computation on the spectrum and input data separately. This design introduces considerable computational overhead: for each layer, a forward and inverse FT. Instead, this work introduces a blueprint for frequency domain learning through a single transform: transform once (T1). To enable efficient, direct learning in the frequency domain we derive a variance-preserving weight initialization scheme and investigate methods for frequency selection in reduced-order FDMs. Our results noticeably streamline the design process of FDMs, pruning redundant transforms, and leading to speedups of 3x to 10x that increase with data resolution and model size. We perform extensive experiments on learning the solution operator of spatio-temporal dynamics, including incompressible Navier-Stokes, turbulent flows around airfoils and high-resolution video of smoke. T1 models improve on the test performance of FDMs while requiring significantly less computation (5 hours instead of 32 for our large-scale experiment), with over 20% reduction in average predictive error across tasks.

Previously, methods for learning marginally stable linear dynamical systems either required the transition matrix to be symmetric or incurred regret bounds that scale polynomially with the system's hidden dimension. In this work, we introduce a novel method that overcomes this trade-off, achieving dimension-free regret despite the presence of asymmetric matrices and marginal stability. Our method combines spectral filtering with linear predictors and employs Chebyshev polynomials in the complex plane to construct a novel spectral filtering basis. This construction guarantees sublinear regret in an online learning framework, without relying on any statistical or generative assumptions. Specifically, we prove that as long as the transition matrix has eigenvalues with complex component bounded by 1/poly log T, then our method achieves regret O(T^{9/10}) when compared to the best linear dynamical predictor in hindsight.

With the advent of new spectroscopic surveys from ground and space, observing up to hundreds of millions of galaxies, spectra classification will become overwhelming for standard analysis techniques. To prepare for this challenge, we introduce a family of deep learning tools to classify features in one-dimensional spectra. As the first application of these Galaxy Spectra neural Networks (GaSNets), we focus on tools specialized at identifying emission lines from strongly lensed star-forming galaxies in the eBOSS spectra. We first discuss the training and testing of these networks and define a threshold probability, PL, of 95% for the high quality event detection. Then, using a previous set of spectroscopically selected strong lenses from eBOSS, confirmed with HST, we estimate a completeness of ~80% as the fraction of lenses recovered above the adopted PL. We finally apply the GaSNets to ~1.3M spectra to collect a first list of ~430 new high quality candidates identified with deep learning applied to spectroscopy and visually graded as highly probable real events. A preliminary check against ground-based observations tentatively shows that this sample has a confirmation rate of 38%, in line with previous samples selected with standard (no deep learning) classification tools and follow-up by Hubble Space Telescope. This first test shows that machine learning can be efficiently extended to feature recognition in the wavelength space, which will be crucial for future surveys like 4MOST, DESI, Euclid, and the Chinese Space Station Telescope (CSST).

Diffusion models have recently received a surge of interest due to their impressive performance for image restoration, especially in terms of noise robustness. However, existing diffusion-based methods are trained on a large amount of training data and perform very well in-distribution, but can be quite susceptible to distribution shift. This is especially inappropriate for data-starved hyperspectral image (HSI) restoration. To tackle this problem, this work puts forth a self-supervised diffusion model for HSI restoration, namely Denoising Diffusion Spatio-Spectral Model (DDS2M), which works by inferring the parameters of the proposed Variational Spatio-Spectral Module (VS2M) during the reverse diffusion process, solely using the degraded HSI without any extra training data. In VS2M, a variational inference-based loss function is customized to enable the untrained spatial and spectral networks to learn the posterior distribution, which serves as the transitions of the sampling chain to help reverse the diffusion process. Benefiting from its self-supervised nature and the diffusion process, DDS2M enjoys stronger generalization ability to various HSIs compared to existing diffusion-based methods and superior robustness to noise compared to existing HSI restoration methods. Extensive experiments on HSI denoising, noisy HSI completion and super-resolution on a variety of HSIs demonstrate DDS2M's superiority over the existing task-specific state-of-the-arts.

Advanced interpretation of hyperspectral remote sensing images benefits many precise Earth observation tasks. Recently, visual foundation models have promoted the remote sensing interpretation but concentrating on RGB and multispectral images. Due to the varied hyperspectral channels,existing foundation models would face image-by-image tuning situation, imposing great pressure on hardware and time resources. In this paper, we propose a tuning-free hyperspectral foundation model called HyperFree, by adapting the existing visual prompt engineering. To process varied channel numbers, we design a learned weight dictionary covering full-spectrum from 0.4 sim 2.5 , mum, supporting to build the embedding layer dynamically. To make the prompt design more tractable, HyperFree can generate multiple semantic-aware masks for one prompt by treating feature distance as semantic-similarity. After pre-training HyperFree on constructed large-scale high-resolution hyperspectral images, HyperFree (1 prompt) has shown comparable results with specialized models (5 shots) on 5 tasks and 11 datasets.Code and dataset are accessible at https://rsidea.whu.edu.cn/hyperfree.htm.

Brain-computer interfaces (BCIs) offer transformative potential, but decoding neural signals presents significant challenges. The core premise of this paper is built around demonstrating methods to elucidate the underlying low-dimensional geometric structure present in high-dimensional brainwave data in order to assist in downstream BCI-related neural classification tasks. We demonstrate two pipelines related to electroencephalography (EEG) signal processing: (1) a preliminary pipeline removing noise from individual EEG channels, and (2) a downstream manifold learning pipeline uncovering geometric structure across networks of EEG channels. We conduct preliminary validation using two EEG datasets and situate our demonstration in the context of the BCI-relevant imagined digit decoding problem. Our preliminary pipeline uses an attention-based EEG filtration network to extract clean signal from individual EEG channels. Our primary pipeline uses a fast Fourier transform, a Laplacian eigenmap, a discrete analog of Ricci flow via Ollivier's notion of Ricci curvature, and a graph convolutional network to perform dimensionality reduction on high-dimensional multi-channel EEG data in order to enable regularizable downstream classification. Our system achieves competitive performance with existing signal processing and classification benchmarks; we demonstrate a mean test correlation coefficient of >0.95 at 2 dB on semi-synthetic neural denoising and a downstream EEG-based classification accuracy of 0.97 on distinguishing digit- versus non-digit- thoughts. Results are preliminary and our geometric machine learning pipeline should be validated by more extensive follow-up studies; generalizing these results to larger inter-subject sample sizes, different hardware systems, and broader use cases will be crucial.

Capturing high-dimensional social interactions and feasible futures is essential for predicting trajectories. To address this complex nature, several attempts have been devoted to reducing the dimensionality of the output variables via parametric curve fitting such as the B\'ezier curve and B-spline function. However, these functions, which originate in computer graphics fields, are not suitable to account for socially acceptable human dynamics. In this paper, we present EigenTrajectory (ET), a trajectory prediction approach that uses a novel trajectory descriptor to form a compact space, known here as ET space, in place of Euclidean space, for representing pedestrian movements. We first reduce the complexity of the trajectory descriptor via a low-rank approximation. We transform the pedestrians' history paths into our ET space represented by spatio-temporal principle components, and feed them into off-the-shelf trajectory forecasting models. The inputs and outputs of the models as well as social interactions are all gathered and aggregated in the corresponding ET space. Lastly, we propose a trajectory anchor-based refinement method to cover all possible futures in the proposed ET space. Extensive experiments demonstrate that our EigenTrajectory predictor can significantly improve both the prediction accuracy and reliability of existing trajectory forecasting models on public benchmarks, indicating that the proposed descriptor is suited to represent pedestrian behaviors. Code is publicly available at https://github.com/inhwanbae/EigenTrajectory .

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.

Hyperspectral Image (HSI) reconstruction has made gratifying progress with the deep unfolding framework by formulating the problem into a data module and a prior module. Nevertheless, existing methods still face the problem of insufficient matching with HSI data. The issues lie in three aspects: 1) fixed gradient descent step in the data module while the degradation of HSI is agnostic in the pixel-level. 2) inadequate prior module for 3D HSI cube. 3) stage interaction ignoring the differences in features at different stages. To address these issues, in this work, we propose a Pixel Adaptive Deep Unfolding Transformer (PADUT) for HSI reconstruction. In the data module, a pixel adaptive descent step is employed to focus on pixel-level agnostic degradation. In the prior module, we introduce the Non-local Spectral Transformer (NST) to emphasize the 3D characteristics of HSI for recovering. Moreover, inspired by the diverse expression of features in different stages and depths, the stage interaction is improved by the Fast Fourier Transform (FFT). Experimental results on both simulated and real scenes exhibit the superior performance of our method compared to state-of-the-art HSI reconstruction methods. The code is released at: https://github.com/MyuLi/PADUT.

Hamiltonian matrix prediction is pivotal in computational chemistry, serving as the foundation for determining a wide range of molecular properties. While SE(3) equivariant graph neural networks have achieved remarkable success in this domain, their substantial computational cost--driven by high-order tensor product (TP) operations--restricts their scalability to large molecular systems with extensive basis sets. To address this challenge, we introduce SPHNet, an efficient and scalable equivariant network, that incorporates adaptive SParsity into Hamiltonian prediction. SPHNet employs two innovative sparse gates to selectively constrain non-critical interaction combinations, significantly reducing tensor product computations while maintaining accuracy. To optimize the sparse representation, we develop a Three-phase Sparsity Scheduler, ensuring stable convergence and achieving high performance at sparsity rates of up to 70%. Extensive evaluations on QH9 and PubchemQH datasets demonstrate that SPHNet achieves state-of-the-art accuracy while providing up to a 7x speedup over existing models. Beyond Hamiltonian prediction, the proposed sparsification techniques also hold significant potential for improving the efficiency and scalability of other SE(3) equivariant networks, further broadening their applicability and impact. Our code can be found at https://github.com/microsoft/SPHNet.

We present Topological Point Cloud Clustering (TPCC), a new method to cluster points in an arbitrary point cloud based on their contribution to global topological features. TPCC synthesizes desirable features from spectral clustering and topological data analysis and is based on considering the spectral properties of a simplicial complex associated to the considered point cloud. As it is based on considering sparse eigenvector computations, TPCC is similarly easy to interpret and implement as spectral clustering. However, by focusing not just on a single matrix associated to a graph created from the point cloud data, but on a whole set of Hodge-Laplacians associated to an appropriately constructed simplicial complex, we can leverage a far richer set of topological features to characterize the data points within the point cloud and benefit from the relative robustness of topological techniques against noise. We test the performance of TPCC on both synthetic and real-world data and compare it with classical spectral clustering.

Previous research has shown that the principal singular vectors of a pre-trained model's weight matrices capture critical knowledge. In contrast, those associated with small singular values may contain noise or less reliable information. As a result, the LoRA-based parameter-efficient fine-tuning (PEFT) approach, which does not constrain the use of the spectral space, may not be effective for tasks that demand high representation capacity. In this study, we enhance existing PEFT techniques by incorporating the spectral information of pre-trained weight matrices into the fine-tuning process. We investigate spectral adaptation strategies with a particular focus on the additive adjustment of top singular vectors. This is accomplished by applying singular value decomposition (SVD) to the pre-trained weight matrices and restricting the fine-tuning within the top spectral space. Extensive speaker verification experiments on VoxCeleb1 and CN-Celeb1 demonstrate enhanced tuning performance with the proposed approach. Code is released at https://github.com/lizhepolyu/SpectralFT.

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.

Addressing the critical theme of recycling electronic waste (E-waste), this contribution is dedicated to developing advanced automated data processing pipelines as a basis for decision-making and process control. Aligning with the broader goals of the circular economy and the United Nations (UN) Sustainable Development Goals (SDG), our work leverages non-invasive analysis methods utilizing RGB and hyperspectral imaging data to provide both quantitative and qualitative insights into the E-waste stream composition for optimizing recycling efficiency. In this paper, we introduce 'PCB-Vision'; a pioneering RGB-hyperspectral printed circuit board (PCB) benchmark dataset, comprising 53 RGB images of high spatial resolution paired with their corresponding high spectral resolution hyperspectral data cubes in the visible and near-infrared (VNIR) range. Grounded in open science principles, our dataset provides a comprehensive resource for researchers through high-quality ground truths, focusing on three primary PCB components: integrated circuits (IC), capacitors, and connectors. We provide extensive statistical investigations on the proposed dataset together with the performance of several state-of-the-art (SOTA) models, including U-Net, Attention U-Net, Residual U-Net, LinkNet, and DeepLabv3+. By openly sharing this multi-scene benchmark dataset along with the baseline codes, we hope to foster transparent, traceable, and comparable developments of advanced data processing across various scientific communities, including, but not limited to, computer vision and remote sensing. Emphasizing our commitment to supporting a collaborative and inclusive scientific community, all materials, including code, data, ground truth, and masks, will be accessible at https://github.com/hifexplo/PCBVision.

We present Manifold Diffusion Fields (MDF), an approach to learn generative models of continuous functions defined over Riemannian manifolds. Leveraging insights from spectral geometry analysis, we define an intrinsic coordinate system on the manifold via the eigen-functions of the Laplace-Beltrami Operator. MDF represents functions using an explicit parametrization formed by a set of multiple input-output pairs. Our approach allows to sample continuous functions on manifolds and is invariant with respect to rigid and isometric transformations of the manifold. Empirical results on several datasets and manifolds show that MDF can capture distributions of such functions with better diversity and fidelity than previous approaches.

Effectively discerning spatial-spectral dependencies in HSI denoising is crucial, but prevailing methods using convolution or transformers still face computational efficiency limitations. Recently, the emerging Selective State Space Model(Mamba) has risen with its nearly linear computational complexity in processing natural language sequences, which inspired us to explore its potential in handling long spectral sequences. In this paper, we propose HSIDMamba(HSDM), tailored to exploit the linear complexity for effectively capturing spatial-spectral dependencies in HSI denoising. In particular, HSDM comprises multiple Hyperspectral Continuous Scan Blocks, incorporating BCSM(Bidirectional Continuous Scanning Mechanism), scale residual, and spectral attention mechanisms to enhance the capture of long-range and local spatial-spectral information. BCSM strengthens spatial-spectral interactions by linking forward and backward scans and enhancing information from eight directions through SSM, significantly enhancing the perceptual capability of HSDM and improving denoising performance more effectively. Extensive evaluations against HSI denoising benchmarks validate the superior performance of HSDM, achieving state-of-the-art results in performance and surpassing the efficiency of the latest transformer architectures by 30%.

Hyperspectral object tracking using snapshot mosaic cameras is emerging as it provides enhanced spectral information alongside spatial data, contributing to a more comprehensive understanding of material properties. Using transformers, which have consistently outperformed convolutional neural networks (CNNs) in learning better feature representations, would be expected to be effective for Hyperspectral object tracking. However, training large transformers necessitates extensive datasets and prolonged training periods. This is particularly critical for complex tasks like object tracking, and the scarcity of large datasets in the hyperspectral domain acts as a bottleneck in achieving the full potential of powerful transformer models. This paper proposes an effective methodology that adapts large pretrained transformer-based foundation models for hyperspectral object tracking. We propose an adaptive, learnable spatial-spectral token fusion module that can be extended to any transformer-based backbone for learning inherent spatial-spectral features in hyperspectral data. Furthermore, our model incorporates a cross-modality training pipeline that facilitates effective learning across hyperspectral datasets collected with different sensor modalities. This enables the extraction of complementary knowledge from additional modalities, whether or not they are present during testing. Our proposed model also achieves superior performance with minimal training iterations.

We propose a novel spectral generative modeling framework for natural language processing that jointly learns a global time varying Fourier dictionary and per token mixing coefficients, replacing the ubiquitous self attention mechanism in transformer architectures. By enforcing reconstruction losses in both the time domain (embedding reconstruction) and the frequency domain (via Short Time Fourier Transform magnitude matching) alongside a standard language modeling objective, and fitting a Gaussian Mixture Model (GMM) prior over the learned mixing vectors, our approach achieves competitive perplexity and generation quality on standard benchmarks such as WikiText2 and Penn Treebank. In contrast to the quadratic computation complexity of self attention, our method operates with linear complexity, delivering substantial efficiency gains. We demonstrate that spectral dictionary models can achieve competitive performance compared to transformer baselines while significantly reducing inference latency and memory footprint, offering a compelling alternative for scalable language modeling.

Multi-spectral imagery plays a crucial role in diverse Remote Sensing applications including land-use classification, environmental monitoring and urban planning. These images are widely adopted because their additional spectral bands correlate strongly with physical materials on the ground, such as ice, water, and vegetation. This allows for more accurate identification, and their public availability from missions, such as Sentinel-2 and Landsat, only adds to their value. Currently, the automatic analysis of such data is predominantly managed through machine learning models specifically trained for multi-spectral input, which are costly to train and support. Furthermore, although providing a lot of utility for Remote Sensing, such additional inputs cannot be used with powerful generalist large multimodal models, which are capable of solving many visual problems, but are not able to understand specialized multi-spectral signals. To address this, we propose a training-free approach which introduces new multi-spectral data in a Zero-Shot-only mode, as inputs to generalist multimodal models, trained on RGB-only inputs. Our approach leverages the multimodal models' understanding of the visual space, and proposes to adapt to inputs to that space, and to inject domain-specific information as instructions into the model. We exemplify this idea with the Gemini2.5 model and observe strong Zero-Shot performance gains of the approach on popular Remote Sensing benchmarks for land cover and land use classification and demonstrate the easy adaptability of Gemini2.5 to new inputs. These results highlight the potential for geospatial professionals, working with non-standard specialized inputs, to easily leverage powerful multimodal models, such as Gemini2.5, to accelerate their work, benefiting from their rich reasoning and contextual capabilities, grounded in the specialized sensor data.

We present a comprehensive treatment of relative oscillation theory for finite Jacobi matrices. We show that the difference of the number of eigenvalues of two Jacobi matrices in an interval equals the number of weighted sign-changes of the Wronskian of suitable solutions of the two underlying difference equations. Until now only the case of perturbations of the main diagonal was known. We extend the known results to arbitrary perturbations, allow any (half-)open and closed spectral intervals, simplify the proof, and establish the comparison theorem.

Compound identification and structure annotation from mass spectra is a well-established task widely applied in drug detection, criminal forensics, small molecule biomarker discovery and chemical engineering. We propose SpecTUS: Spectral Translator for Unknown Structures, a deep neural model that addresses the task of structural annotation of small molecules from low-resolution gas chromatography electron ionization mass spectra (GC-EI-MS). Our model analyzes the spectra in de novo manner -- a direct translation from the spectra into 2D-structural representation. Our approach is particularly useful for analyzing compounds unavailable in spectral libraries. In a rigorous evaluation of our model on the novel structure annotation task across different libraries, we outperformed standard database search techniques by a wide margin. On a held-out testing set, including 28267 spectra from the NIST database, we show that our model's single suggestion perfectly reconstructs 43\% of the subset's compounds. This single suggestion is strictly better than the candidate of the database hybrid search (common method among practitioners) in 76\% of cases. In a~still affordable scenario of~10 suggestions, perfect reconstruction is achieved in 65\%, and 84\% are better than the hybrid search.

Multivariable time series forecasting methods can integrate information from exogenous variables, leading to significant prediction accuracy gains. Transformer architecture has been widely applied in various time series forecasting models due to its ability to capture long-range sequential dependencies. However, a na\"ive application of transformers often struggles to effectively model complex relationships among variables over time. To mitigate against this, we propose a novel architecture, namely the Spectral Operator Neural Network (Sonnet). Sonnet applies learnable wavelet transformations to the input and incorporates spectral analysis using the Koopman operator. Its predictive skill relies on the Multivariable Coherence Attention (MVCA), an operation that leverages spectral coherence to model variable dependencies. Our empirical analysis shows that Sonnet yields the best performance on 34 out of 47 forecasting tasks with an average mean absolute error (MAE) reduction of 1.1% against the most competitive baseline (different per task). We further show that MVCA -- when put in place of the na\"ive attention used in various deep learning models -- can remedy its deficiencies, reducing MAE by 10.7% on average in the most challenging forecasting tasks.

Accurate and efficient dense depth reconstruction from light field imagery remains a central challenge in computer vision, underpinning applications such as augmented reality, biomedical imaging, and 3D scene reconstruction. Existing deep convolutional approaches, while effective, often incur high computational overhead and are sensitive to noise and disparity inconsistencies in real-world scenarios. This paper introduces a novel Deep Spectral Epipolar Representation (DSER) framework for dense light field reconstruction, which unifies deep spectral feature learning with epipolar-domain regularization. The proposed approach exploits frequency-domain correlations across epipolar plane images to enforce global structural coherence, thereby mitigating artifacts and enhancing depth accuracy. Unlike conventional supervised models, DSER operates efficiently with limited training data while maintaining high reconstruction fidelity. Comprehensive experiments on the 4D Light Field Benchmark and a diverse set of real-world datasets demonstrate that DSER achieves superior performance in terms of precision, structural consistency, and computational efficiency compared to state-of-the-art methods. These results highlight the potential of integrating spectral priors with epipolar geometry for scalable and noise-resilient dense light field depth estimation, establishing DSER as a promising direction for next-generation high-dimensional vision systems.

In this paper, we study the problem of principal component analysis with generative modeling assumptions, adopting a general model for the observed matrix that encompasses notable special cases, including spiked matrix recovery and phase retrieval. The key assumption is that the underlying signal lies near the range of an L-Lipschitz continuous generative model with bounded k-dimensional inputs. We propose a quadratic estimator, and show that it enjoys a statistical rate of order frac{klog L{m}}, where m is the number of samples. We also provide a near-matching algorithm-independent lower bound. Moreover, we provide a variant of the classic power method, which projects the calculated data onto the range of the generative model during each iteration. We show that under suitable conditions, this method converges exponentially fast to a point achieving the above-mentioned statistical rate. We perform experiments on various image datasets for spiked matrix and phase retrieval models, and illustrate performance gains of our method to the classic power method and the truncated power method devised for sparse principal component analysis.

Recent developments in Parameter-Efficient Fine-Tuning (PEFT) methods for pretrained deep neural networks have captured widespread interest. In this work, we study the enhancement of current PEFT methods by incorporating the spectral information of pretrained weight matrices into the fine-tuning procedure. We investigate two spectral adaptation mechanisms, namely additive tuning and orthogonal rotation of the top singular vectors, both are done via first carrying out Singular Value Decomposition (SVD) of pretrained weights and then fine-tuning the top spectral space. We provide a theoretical analysis of spectral fine-tuning and show that our approach improves the rank capacity of low-rank adapters given a fixed trainable parameter budget. We show through extensive experiments that the proposed fine-tuning model enables better parameter efficiency and tuning performance as well as benefits multi-adapter fusion. The code will be open-sourced for reproducibility.

We study the properties of common loss surfaces through their Hessian matrix. In particular, in the context of deep learning, we empirically show that the spectrum of the Hessian is composed of two parts: (1) the bulk centered near zero, (2) and outliers away from the bulk. We present numerical evidence and mathematical justifications to the following conjectures laid out by Sagun et al. (2016): Fixing data, increasing the number of parameters merely scales the bulk of the spectrum; fixing the dimension and changing the data (for instance adding more clusters or making the data less separable) only affects the outliers. We believe that our observations have striking implications for non-convex optimization in high dimensions. First, the flatness of such landscapes (which can be measured by the singularity of the Hessian) implies that classical notions of basins of attraction may be quite misleading. And that the discussion of wide/narrow basins may be in need of a new perspective around over-parametrization and redundancy that are able to create large connected components at the bottom of the landscape. Second, the dependence of small number of large eigenvalues to the data distribution can be linked to the spectrum of the covariance matrix of gradients of model outputs. With this in mind, we may reevaluate the connections within the data-architecture-algorithm framework of a model, hoping that it would shed light into the geometry of high-dimensional and non-convex spaces in modern applications. In particular, we present a case that links the two observations: small and large batch gradient descent appear to converge to different basins of attraction but we show that they are in fact connected through their flat region and so belong to the same basin.

This paper makes a formal connection between two families of widely used matrix factorization algorithms in numerical linear algebra. One family consists of the Jacobi eigenvalue algorithm and its variants for computing the Hermitian eigendecomposition and singular value decomposition. The other consists of Gaussian elimination and the Gram-Schmidt procedure with various pivoting rules for computing the Cholesky decomposition and QR decomposition respectively. Both families are cast as special cases of a more general class of factorization algorithms. We provide a randomized pivoting rule that applies to this general class (which differs substantially from the usual pivoting rules for Gaussian elimination / Gram-Schmidt) which results in the same linear rate of convergence for each algorithm, irrespective of which factorization it computes. A second important consequence of this randomized pivoting rule is a provable, effective bound on the numerical stability of the Jacobi eigenvalue algorithm, which addresses a longstanding open problem of Demmel and Veseli\'c `92.

Spectrograms are pivotal in time-frequency signal analysis, widely used in audio processing and computational neuroscience. Chirp-like patterns in electroencephalogram (EEG) spectrograms (marked by linear or exponential frequency sweep) are key biomarkers for seizure dynamics, but automated tools for their detection, localization, and feature extraction are lacking. This study bridges this gap by fine-tuning a Vision Transformer (ViT) model on synthetic spectrograms, augmented with Low-Rank Adaptation (LoRA) to boost adaptability. We generated 100000 synthetic spectrograms with chirp parameters, creating the first large-scale benchmark for chirp localization. These spectrograms mimic neural chirps using linear or exponential frequency sweep, Gaussian noise, and smoothing. A ViT model, adapted for regression, predicted chirp parameters. LoRA fine-tuned the attention layers, enabling efficient updates to the pre-trained backbone. Training used MSE loss and the AdamW optimizer, with a learning rate scheduler and early stopping to curb overfitting. Only three features were targeted: Chirp Start Time (Onset Time), Chirp Start Frequency (Onset Frequency), and Chirp End Frequency (Offset Frequency). Performance was evaluated via Pearson correlation between predicted and actual labels. Results showed strong alignment: 0.9841 correlation for chirp start time, with stable inference times (137 to 140s) and minimal bias in error distributions. This approach offers a tool for chirp analysis in EEG time-frequency representation, filling a critical methodological void.

Within the graph learning community, conventional wisdom dictates that spectral convolutional networks may only be deployed on undirected graphs: Only there could the existence of a well-defined graph Fourier transform be guaranteed, so that information may be translated between spatial- and spectral domains. Here we show this traditional reliance on the graph Fourier transform to be superfluous and -- making use of certain advanced tools from complex analysis and spectral theory -- extend spectral convolutions to directed graphs. We provide a frequency-response interpretation of newly developed filters, investigate the influence of the basis used to express filters and discuss the interplay with characteristic operators on which networks are based. In order to thoroughly test the developed theory, we conduct experiments in real world settings, showcasing that directed spectral convolutional networks provide new state of the art results for heterophilic node classification on many datasets and -- as opposed to baselines -- may be rendered stable to resolution-scale varying topological perturbations.

Hyperspectral unmixing (HU) is a very useful and increasingly popular preprocessing step for a wide range of hyperspectral applications. However, the HU research has been constrained a lot by three factors: (a) the number of hyperspectral images (especially the ones with ground truths) are very limited; (b) the ground truths of most hyperspectral images are not shared on the web, which may cause lots of unnecessary troubles for researchers to evaluate their algorithms; (c) the codes of most state-of-the-art methods are not shared, which may also delay the testing of new methods. Accordingly, this paper deals with the above issues from the following three perspectives: (1) as a profound contribution, we provide a general labeling method for the HU. With it, we labeled up to 15 hyperspectral images, providing 18 versions of ground truths. To the best of our knowledge, this is the first paper to summarize and share up to 15 hyperspectral images and their 18 versions of ground truths for the HU. Observing that the hyperspectral classification (HyC) has much more standard datasets (whose ground truths are generally publicly shared) than the HU, we propose an interesting method to transform the HyC datasets for the HU research. (2) To further facilitate the evaluation of HU methods under different conditions, we reviewed and implemented the algorithm to generate a complex synthetic hyperspectral image. By tuning the hyper-parameters in the code, we may verify the HU methods from four perspectives. The code would also be shared on the web. (3) To provide a standard comparison, we reviewed up to 10 state-of-the-art HU algorithms, then selected the 5 most benchmark HU algorithms, and compared them on the 15 real hyperspectral datasets. The experiment results are surely reproducible; the implemented codes would be shared on the web.

Recent JWST observations with NIRCam and MIRI of the ultra-short-period super-Earth 55 Cancri e indicate a possible volatile atmosphere surrounding the planet. Previous analysis of the NIRCam spectra suggested potential absorption features from CO2 or CO and significant sub-weekly variability. The MIRI low-resolution spectrum does not contain substantial features but was found to be consistent with effective heat redistribution models. In this work, we computed a grid of over 25000 self-consistent 1D forward models incorporating H-N-O-C-S-P-Si-Ti equilibrium chemistry and assessed plausible atmospheric compositions based on the current JWST data. Despite exhaustive analysis, the composition and properties of the atmosphere remain elusive. While our results statistically favour a global, hydrogen-free, nitrogen-dominated atmosphere enriched in PO and CO2, various alternative compositions, including H2O-,CO-, PH3-, or Si-bearing remain viable explanations. Unconstrained heat redistribution efficiency and absolute NIRCam flux are among the largest sources of uncertainty in our analysis. We also find that the heat redistribution factor and surface pressure are highly degenerate with atmospheric composition, and that these parameters cannot be independently constrained using current JWST observations. Furthermore, we show that the observed variability may arise from dynamic interactions between the atmosphere and an underlying magma ocean, driving rapid shifts in atmospheric chemistry and thermal emission. Our results highlight the importance of using self-consistent forward models when analysing novel JWST spectra with limited signal-to-noise ratios -- such as those of 55 Cancri e -- as it allows for a more comprehensive evaluation of potential atmospheric scenarios while also being less sensitive to subtle spectral differences than retrievals...

The {K_{1,1}, K_{1,2},C_m: mgeq3}-factor of a graph is a spanning subgraph whose each component is an element of {K_{1,1}, K_{1,2},C_m: mgeq3}. In this paper, through the graph spectral methods, we establish the lower bound of the signless Laplacian spectral radius and the upper bound of the distance spectral radius to determine whether a graph admits a {K_2}-factor. We get a lower bound on the size (resp. the spectral radius) of G to guarantee that G contains a {K_{1,1}, K_{1,2},C_m: mgeq3}-factor. Then we determine an upper bound on the distance spectral radius of G to ensure that G has a {K_{1,1}, K_{1,2},C_m: mgeq3}-factor. Furthermore, by constructing extremal graphs, we show that the above all bounds are best possible.

Current approaches to chemical map generation from hyperspectral images are based on models such as partial least squares (PLS) regression, generating pixel-wise predictions that do not consider spatial context and suffer from a high degree of noise. This study proposes an end-to-end deep learning approach using a modified version of U-Net and a custom loss function to directly obtain chemical maps from hyperspectral images, skipping all intermediate steps required for traditional pixel-wise analysis. We compare the U-Net with the traditional PLS regression on a real dataset of pork belly samples with associated mean fat reference values. The U-Net obtains a test set root mean squared error of between 9% and 13% lower than that of PLS regression on the task of mean fat prediction. At the same time, U-Net generates fine detail chemical maps where 99.91% of the variance is spatially correlated. Conversely, only 2.53% of the variance in the PLS-generated chemical maps is spatially correlated, indicating that each pixel-wise prediction is largely independent of neighboring pixels. Additionally, while the PLS-generated chemical maps contain predictions far beyond the physically possible range of 0-100%, U-Net learns to stay inside this range. Thus, the findings of this study indicate that U-Net is superior to PLS for chemical map generation.

Accurate and timely detection of plant stress is essential for yield protection, allowing better-targeted intervention strategies. Recent advances in remote sensing and deep learning have shown great potential for rapid non-invasive detection of plant stress in a fully automated and reproducible manner. However, the existing models always face several challenges: 1) computational inefficiency and the misclassifications between the different stresses with similar symptoms; and 2) the poor interpretability of the host-stress interaction. In this work, we propose a novel fast Fourier Convolutional Neural Network (FFDNN) for accurate and explainable detection of two plant stresses with similar symptoms (i.e. Wheat Yellow Rust And Nitrogen Deficiency). Specifically, unlike the existing CNN models, the main components of the proposed model include: 1) a fast Fourier convolutional block, a newly fast Fourier transformation kernel as the basic perception unit, to substitute the traditional convolutional kernel to capture both local and global responses to plant stress in various time-scale and improve computing efficiency with reduced learning parameters in Fourier domain; 2) Capsule Feature Encoder to encapsulate the extracted features into a series of vector features to represent part-to-whole relationship with the hierarchical structure of the host-stress interactions of the specific stress. In addition, in order to alleviate over-fitting, a photochemical vegetation indices-based filter is placed as pre-processing operator to remove the non-photochemical noises from the input Sentinel-2 time series.

Hyperspectral pansharpening is receiving a growing interest since the last few years as testified by a large number of research papers and challenges. It consists in a pixel-level fusion between a lower-resolution hyperspectral datacube and a higher-resolution single-band image, the panchromatic image, with the goal of providing a hyperspectral datacube at panchromatic resolution. Thanks to their powerful representational capabilities, deep learning models have succeeded to provide unprecedented results on many general purpose image processing tasks. However, when moving to domain specific problems, as in this case, the advantages with respect to traditional model-based approaches are much lesser clear-cut due to several contextual reasons. Scarcity of training data, lack of ground-truth, data shape variability, are some such factors that limit the generalization capacity of the state-of-the-art deep learning networks for hyperspectral pansharpening. To cope with these limitations, in this work we propose a new deep learning method which inherits a simple single-band unsupervised pansharpening model nested in a sequential band-wise adaptive scheme, where each band is pansharpened refining the model tuned on the preceding one. By doing so, a simple model is propagated along the wavelength dimension, adaptively and flexibly, with no need to have a fixed number of spectral bands, and, with no need to dispose of large, expensive and labeled training datasets. The proposed method achieves very good results on our datasets, outperforming both traditional and deep learning reference methods. The implementation of the proposed method can be found on https://github.com/giu-guarino/R-PNN

We consider the problem of linear estimation, and establish an extension of the Gauss-Markov theorem, in which the bias operator is allowed to be non-zero but bounded with respect to a matrix norm of Schatten type. We derive simple and explicit formulas for the optimal estimator in the cases of Nuclear and Spectral norms (with the Frobenius case recovering ridge regression). Additionally, we analytically derive the generalization error in multiple random matrix ensembles, and compare with Ridge regression. Finally, we conduct an extensive simulation study, in which we show that the cross-validated Nuclear and Spectral regressors can outperform Ridge in several circumstances.