Daily Papers

Denoising diffusion probabilistic models (DDPMs) are becoming the leading paradigm for generative models. It has recently shown breakthroughs in audio synthesis, time series imputation and forecasting. In this paper, we propose Diffusion-TS, a novel diffusion-based framework that generates multivariate time series samples of high quality by using an encoder-decoder transformer with disentangled temporal representations, in which the decomposition technique guides Diffusion-TS to capture the semantic meaning of time series while transformers mine detailed sequential information from the noisy model input. Different from existing diffusion-based approaches, we train the model to directly reconstruct the sample instead of the noise in each diffusion step, combining a Fourier-based loss term. Diffusion-TS is expected to generate time series satisfying both interpretablity and realness. In addition, it is shown that the proposed Diffusion-TS can be easily extended to conditional generation tasks, such as forecasting and imputation, without any model changes. This also motivates us to further explore the performance of Diffusion-TS under irregular settings. Finally, through qualitative and quantitative experiments, results show that Diffusion-TS achieves the state-of-the-art results on various realistic analyses of time series.

In this paper, we find a sample complexity bound for learning a simplex from noisy samples. Assume a dataset of size n is given which includes i.i.d. samples drawn from a uniform distribution over an unknown simplex in R^K, where samples are assumed to be corrupted by a multi-variate additive Gaussian noise of an arbitrary magnitude. We prove the existence of an algorithm that with high probability outputs a simplex having a ell_2 distance of at most varepsilon from the true simplex (for any varepsilon>0). Also, we theoretically show that in order to achieve this bound, it is sufficient to have ngeleft(K^2/varepsilon^2right)e^{Omegaleft(K/SNR^2right)} samples, where SNR stands for the signal-to-noise ratio. This result solves an important open problem and shows as long as SNRgeOmegaleft(K^{1/2}right), the sample complexity of the noisy regime has the same order to that of the noiseless case. Our proofs are a combination of the so-called sample compression technique in ashtiani2018nearly, mathematical tools from high-dimensional geometry, and Fourier analysis. In particular, we have proposed a general Fourier-based technique for recovery of a more general class of distribution families from additive Gaussian noise, which can be further used in a variety of other related problems.

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.

Despite their ubiquity throughout science and engineering, only a handful of partial differential equations (PDEs) have analytical, or closed-form solutions. This motivates a vast amount of classical work on numerical simulation of PDEs and more recently, a whirlwind of research into data-driven techniques leveraging machine learning (ML). A recent line of work indicates that a hybrid of classical numerical techniques and machine learning can offer significant improvements over either approach alone. In this work, we show that the choice of the numerical scheme is crucial when incorporating physics-based priors. We build upon Fourier-based spectral methods, which are known to be more efficient than other numerical schemes for simulating PDEs with smooth and periodic solutions. Specifically, we develop ML-augmented spectral solvers for three common PDEs of fluid dynamics. Our models are more accurate (2-4x) than standard spectral solvers at the same resolution but have longer overall runtimes (~2x), due to the additional runtime cost of the neural network component. We also demonstrate a handful of key design principles for combining machine learning and numerical methods for solving PDEs.

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.

The asymptotically precise estimation of the generalization of kernel methods has recently received attention due to the parallels between neural networks and their associated kernels. However, prior works derive such estimates for training by kernel ridge regression (KRR), whereas neural networks are typically trained with gradient descent (GD). In the present work, we consider the training of kernels with a family of spectral algorithms specified by profile h(lambda), and including KRR and GD as special cases. Then, we derive the generalization error as a functional of learning profile h(lambda) for two data models: high-dimensional Gaussian and low-dimensional translation-invariant model. Under power-law assumptions on the spectrum of the kernel and target, we use our framework to (i) give full loss asymptotics for both noisy and noiseless observations (ii) show that the loss localizes on certain spectral scales, giving a new perspective on the KRR saturation phenomenon (iii) conjecture, and demonstrate for the considered data models, the universality of the loss w.r.t. non-spectral details of the problem, but only in case of noisy observation.

We show that passing input points through a simple Fourier feature mapping enables a multilayer perceptron (MLP) to learn high-frequency functions in low-dimensional problem domains. These results shed light on recent advances in computer vision and graphics that achieve state-of-the-art results by using MLPs to represent complex 3D objects and scenes. Using tools from the neural tangent kernel (NTK) literature, we show that a standard MLP fails to learn high frequencies both in theory and in practice. To overcome this spectral bias, we use a Fourier feature mapping to transform the effective NTK into a stationary kernel with a tunable bandwidth. We suggest an approach for selecting problem-specific Fourier features that greatly improves the performance of MLPs for low-dimensional regression tasks relevant to the computer vision and graphics communities.

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

Neural operators learn mappings between function spaces, which is practical for learning solution operators of PDEs and other scientific modeling applications. Among them, the Fourier neural operator (FNO) is a popular architecture that performs global convolutions in the Fourier space. However, such global operations are often prone to over-smoothing and may fail to capture local details. In contrast, convolutional neural networks (CNN) can capture local features but are limited to training and inference at a single resolution. In this work, we present a principled approach to operator learning that can capture local features under two frameworks by learning differential operators and integral operators with locally supported kernels. Specifically, inspired by stencil methods, we prove that we obtain differential operators under an appropriate scaling of the kernel values of CNNs. To obtain local integral operators, we utilize suitable basis representations for the kernels based on discrete-continuous convolutions. Both these approaches preserve the properties of operator learning and, hence, the ability to predict at any resolution. Adding our layers to FNOs significantly improves their performance, reducing the relative L2-error by 34-72% in our experiments, which include a turbulent 2D Navier-Stokes and the spherical shallow water equations.

Periodic signals play an important role in daily lives. Although conventional sequential models have shown remarkable success in various fields, they still come short in modeling periodicity; they either collapse, diverge or ignore details. In this paper, we introduce a novel framework inspired by Fourier series to generate periodic signals. We first decompose the given signals into multiple sines and cosines and then conditionally generate periodic signals with the output components. We have shown our model efficacy on three tasks: reconstruction, imputation and conditional generation. Our model outperforms baselines in all tasks and shows more stable and refined results.

Learning physical simulations has been an essential and central aspect of many recent research efforts in machine learning, particularly for Navier-Stokes-based fluid mechanics. Classic numerical solvers have traditionally been computationally expensive and challenging to use in inverse problems, whereas Neural solvers aim to address both concerns through machine learning. We propose a general formulation for continuous convolutions using separable basis functions as a superset of existing methods and evaluate a large set of basis functions in the context of (a) a compressible 1D SPH simulation, (b) a weakly compressible 2D SPH simulation, and (c) an incompressible 2D SPH Simulation. We demonstrate that even and odd symmetries included in the basis functions are key aspects of stability and accuracy. Our broad evaluation shows that Fourier-based continuous convolutions outperform all other architectures regarding accuracy and generalization. Finally, using these Fourier-based networks, we show that prior inductive biases, such as window functions, are no longer necessary. An implementation of our approach, as well as complete datasets and solver implementations, is available at https://github.com/tum-pbs/SFBC.

We propose the use of low bit-depth Sigma-Delta and distributed noise-shaping methods for quantizing the Random Fourier features (RFFs) associated with shift-invariant kernels. We prove that our quantized RFFs -- even in the case of 1-bit quantization -- allow a high accuracy approximation of the underlying kernels, and the approximation error decays at least polynomially fast as the dimension of the RFFs increases. We also show that the quantized RFFs can be further compressed, yielding an excellent trade-off between memory use and accuracy. Namely, the approximation error now decays exponentially as a function of the bits used. Moreover, we empirically show by testing the performance of our methods on several machine learning tasks that our method compares favorably to other state of the art quantization methods in this context.

Low-rank adaptation~(LoRA) has recently gained much interest in fine-tuning foundation models. It effectively reduces the number of trainable parameters by incorporating low-rank matrices A and B to represent the weight change, i.e., Delta W=BA. Despite LoRA's progress, it faces storage challenges when handling extensive customization adaptations or larger base models. In this work, we aim to further compress trainable parameters by enjoying the powerful expressiveness of the Fourier transform. Specifically, we introduce FourierFT, which treats Delta W as a matrix in the spatial domain and learns only a small fraction of its spectral coefficients. With the trained spectral coefficients, we implement the inverse discrete Fourier transform to recover Delta W. Empirically, our FourierFT method shows comparable or better performance with fewer parameters than LoRA on various tasks, including natural language understanding, natural language generation, instruction tuning, and image classification. For example, when performing instruction tuning on the LLaMA2-7B model, FourierFT surpasses LoRA with only 0.064M trainable parameters, compared to LoRA's 33.5M. Our code is released at https://github.com/Chaos96/fourierft.

Fourier Neural Operators (FNO) learn solution operators of partial differential equations by parameterizing global convolutions in the complex Fourier domain. For real-valued PDE solutions, the complex FFT carries representational redundancy through conjugate symmetry. We introduce the Hartley Neural Operator (HNO), the exact real-valued mirror of FNO: it replaces the FFT with the purely real Discrete Hartley Transform and learns a single real multiplier per retained spectral mode, with no complex arithmetic. Because the real Hartley spectrum is not halved by conjugate symmetry, HNO retains twice as many frequency corners as FNO but one real weight where FNO carries a complex pair, so the two operators are iso-parametric at equal width and differ only in spectral basis. Our central thesis is that the best basis is a property of the operator. Self-adjoint elliptic operators (Poisson, biharmonic) have real, symmetric Green's functions that the real Hartley multiplier diagonalizes exactly, and HNO is favored there. Time-dependent operators carry phase, from oscillation in the wave equation to transport in advection, Burgers, and Navier-Stokes, which a real diagonal multiplier cannot represent, so FNO is favored there, and increasingly so with the operator's phase content, leaving the phaseless heat equation as the borderline case. Training both operators identically and benchmarking across PDE classes, initial-condition families, and boundary conditions, we find an elliptic-versus-time-dependent split that is monotone in operator phase content and matches the Green's-function theory we develop. Rather than a universal winner, our findings give a predictive rule: match the spectral basis to the symmetry of the solution operator.

We propose the Factorized Fourier Neural Operator (F-FNO), a learning-based approach for simulating partial differential equations (PDEs). Starting from a recently proposed Fourier representation of flow fields, the F-FNO bridges the performance gap between pure machine learning approaches to that of the best numerical or hybrid solvers. This is achieved with new representations - separable spectral layers and improved residual connections - and a combination of training strategies such as the Markov assumption, Gaussian noise, and cosine learning rate decay. On several challenging benchmark PDEs on regular grids, structured meshes, and point clouds, the F-FNO can scale to deeper networks and outperform both the FNO and the geo-FNO, reducing the error by 83% on the Navier-Stokes problem, 31% on the elasticity problem, 57% on the airfoil flow problem, and 60% on the plastic forging problem. Compared to the state-of-the-art pseudo-spectral method, the F-FNO can take a step size that is an order of magnitude larger in time and achieve an order of magnitude speedup to produce the same solution quality.

In solving partial differential equations (PDEs), Fourier Neural Operators (FNOs) have exhibited notable effectiveness compared to Convolutional Neural Networks (CNNs). This paper presents clear empirical evidence through spectral analysis to elucidate the superiority of FNO over CNNs: FNO is significantly more capable of learning low-frequencies. This empirical evidence also unveils FNO's distinct low-frequency bias, which limits FNO's effectiveness in learning high-frequency information from PDE data. To tackle this challenge, we introduce SpecBoost, an ensemble learning framework that employs multiple FNOs to better capture high-frequency information. Specifically, a secondary FNO is utilized to learn the overlooked high-frequency information from the prediction residual of the initial FNO. Experiments demonstrate that SpecBoost noticeably enhances FNO's prediction accuracy on diverse PDE applications, achieving an up to 71% improvement.

Implicit neural representations (INRs) use neural networks to provide continuous and resolution-independent representations of complex signals with a small number of parameters. However, existing INR models often fail to capture important frequency components specific to each task. To address this issue, in this paper, we propose a Fourier Kolmogorov Arnold network (FKAN) for INRs. The proposed FKAN utilizes learnable activation functions modeled as Fourier series in the first layer to effectively control and learn the task-specific frequency components. In addition, the activation functions with learnable Fourier coefficients improve the ability of the network to capture complex patterns and details, which is beneficial for high-resolution and high-dimensional data. Experimental results show that our proposed FKAN model outperforms three state-of-the-art baseline schemes, and improves the peak signal-to-noise ratio (PSNR) and structural similarity index measure (SSIM) for the image representation task and intersection over union (IoU) for the 3D occupancy volume representation task, respectively.

We present an efficient frequency-based neural representation termed PREF: a shallow MLP augmented with a phasor volume that covers significant border spectra than previous Fourier feature mapping or Positional Encoding. At the core is our compact 3D phasor volume where frequencies distribute uniformly along a 2D plane and dilate along a 1D axis. To this end, we develop a tailored and efficient Fourier transform that combines both Fast Fourier transform and local interpolation to accelerate na\"ive Fourier mapping. We also introduce a Parsvel regularizer that stables frequency-based learning. In these ways, Our PREF reduces the costly MLP in the frequency-based representation, thereby significantly closing the efficiency gap between it and other hybrid representations, and improving its interpretability. Comprehensive experiments demonstrate that our PREF is able to capture high-frequency details while remaining compact and robust, including 2D image generalization, 3D signed distance function regression and 5D neural radiance field reconstruction.

The classical development of neural networks has primarily focused on learning mappings between finite-dimensional Euclidean spaces. Recently, this has been generalized to neural operators that learn mappings between function spaces. For partial differential equations (PDEs), neural operators directly learn the mapping from any functional parametric dependence to the solution. Thus, they learn an entire family of PDEs, in contrast to classical methods which solve one instance of the equation. In this work, we formulate a new neural operator by parameterizing the integral kernel directly in Fourier space, allowing for an expressive and efficient architecture. We perform experiments on Burgers' equation, Darcy flow, and Navier-Stokes equation. The Fourier neural operator is the first ML-based method to successfully model turbulent flows with zero-shot super-resolution. It is up to three orders of magnitude faster compared to traditional PDE solvers. Additionally, it achieves superior accuracy compared to previous learning-based solvers under fixed resolution.

Deep learning surrogate models have shown promise in solving partial differential equations (PDEs). Among them, the Fourier neural operator (FNO) achieves good accuracy, and is significantly faster compared to numerical solvers, on a variety of PDEs, such as fluid flows. However, the FNO uses the Fast Fourier transform (FFT), which is limited to rectangular domains with uniform grids. In this work, we propose a new framework, viz., geo-FNO, to solve PDEs on arbitrary geometries. Geo-FNO learns to deform the input (physical) domain, which may be irregular, into a latent space with a uniform grid. The FNO model with the FFT is applied in the latent space. The resulting geo-FNO model has both the computation efficiency of FFT and the flexibility of handling arbitrary geometries. Our geo-FNO is also flexible in terms of its input formats, viz., point clouds, meshes, and design parameters are all valid inputs. We consider a variety of PDEs such as the Elasticity, Plasticity, Euler's, and Navier-Stokes equations, and both forward modeling and inverse design problems. Geo-FNO is 10^5 times faster than the standard numerical solvers and twice more accurate compared to direct interpolation on existing ML-based PDE solvers such as the standard FNO.

Fourier Neural Operators (FNOs) have proven to be an efficient and effective method for resolution-independent operator learning in a broad variety of application areas across scientific machine learning. A key reason for their success is their ability to accurately model long-range dependencies in spatio-temporal data by learning global convolutions in a computationally efficient manner. To this end, FNOs rely on the discrete Fourier transform (DFT), however, DFTs cause visual and spectral artifacts as well as pronounced dissipation when learning operators in spherical coordinates since they incorrectly assume a flat geometry. To overcome this limitation, we generalize FNOs on the sphere, introducing Spherical FNOs (SFNOs) for learning operators on spherical geometries. We apply SFNOs to forecasting atmospheric dynamics, and demonstrate stable auto\-regressive rollouts for a year of simulated time (1,460 steps), while retaining physically plausible dynamics. The SFNO has important implications for machine learning-based simulation of climate dynamics that could eventually help accelerate our response to climate change.

We propose a neural network for both forward and inverse continuous nonlinear Fourier transforms, NFT and INFT respectively. We demonstrate the network's capability to perform NFT and INFT for a random mix of NFDM-QAM signals. The network transformations (NFT and INFT) exhibit true characteristics of these transformations; they are significantly different for low and high-power input pulses. The network shows adequate accuracy with an RMSE of 5e-3 for forward and 3e-2 for inverse transforms. We further show that the trained network can be used to perform general nonlinear Fourier transforms on arbitrary pulses beyond the training pulse types.

We present Neural Spectral Methods, a technique to solve parametric Partial Differential Equations (PDEs), grounded in classical spectral methods. Our method uses orthogonal bases to learn PDE solutions as mappings between spectral coefficients. In contrast to current machine learning approaches which enforce PDE constraints by minimizing the numerical quadrature of the residuals in the spatiotemporal domain, we leverage Parseval's identity and introduce a new training strategy through a spectral loss. Our spectral loss enables more efficient differentiation through the neural network, and substantially reduces training complexity. At inference time, the computational cost of our method remains constant, regardless of the spatiotemporal resolution of the domain. Our experimental results demonstrate that our method significantly outperforms previous machine learning approaches in terms of speed and accuracy by one to two orders of magnitude on multiple different problems. When compared to numerical solvers of the same accuracy, our method demonstrates a 10times increase in performance speed.

It is well noted that coordinate based MLPs benefit -- in terms of preserving high-frequency information -- through the encoding of coordinate positions as an array of Fourier features. Hitherto, the rationale for the effectiveness of these positional encodings has been solely studied through a Fourier lens. In this paper, we strive to broaden this understanding by showing that alternative non-Fourier embedding functions can indeed be used for positional encoding. Moreover, we show that their performance is entirely determined by a trade-off between the stable rank of the embedded matrix and the distance preservation between embedded coordinates. We further establish that the now ubiquitous Fourier feature mapping of position is a special case that fulfills these conditions. Consequently, we present a more general theory to analyze positional encoding in terms of shifted basis functions. To this end, we develop the necessary theoretical formulae and empirically verify that our theoretical claims hold in practice. Codes available at https://github.com/osiriszjq/Rethinking-positional-encoding.

As the quality of large language models has improved, there has been increased interest in using them to model non-linguistic tokens. For example, the Decision Transformer recasts agentic decision making as a sequence modeling problem, using a decoder-only LLM to model the distribution over the discrete action space for an Atari agent. However, when adapting LLMs to non-linguistic domains, it remains unclear if softmax over discrete bins captures the continuous structure of the tokens and the potentially complex distributions needed for high quality token generation. We introduce a neural network layer, constructed using Fourier series, which we can easily substitute for any linear layer if we want the outputs to have a more continuous structure. We perform extensive analysis on synthetic datasets, as well as on large-scale decision making and time series forecasting tasks. We also provide theoretical evidence that this layer can better learn signal from data while ignoring high-frequency noise. All of our results support the effectiveness of our proposed Fourier head in scenarios where the underlying data distribution has a natural continuous structure. For example, the Fourier head improves a Decision Transformer agent's returns by 46% on the Atari Seaquest game, and increases a state-of-the-art times series foundation model's forecasting performance by 3.5% across 20 benchmarks unseen during training.

Implicit Neural Representation (INR) as a mighty representation paradigm has achieved success in various computer vision tasks recently. Due to the low-frequency bias issue of vanilla multi-layer perceptron (MLP), existing methods have investigated advanced techniques, such as positional encoding and periodic activation function, to improve the accuracy of INR. In this paper, we connect the network training bias with the reparameterization technique and theoretically prove that weight reparameterization could provide us a chance to alleviate the spectral bias of MLP. Based on our theoretical analysis, we propose a Fourier reparameterization method which learns coefficient matrix of fixed Fourier bases to compose the weights of MLP. We evaluate the proposed Fourier reparameterization method on different INR tasks with various MLP architectures, including vanilla MLP, MLP with positional encoding and MLP with advanced activation function, etc. The superiority approximation results on different MLP architectures clearly validate the advantage of our proposed method. Armed with our Fourier reparameterization method, better INR with more textures and less artifacts can be learned from the training data.

Spectral bias is an important observation of neural network training, stating that the network will learn a low frequency representation of the target function before converging to higher frequency components. This property is interesting due to its link to good generalization in over-parameterized networks. However, in low dimensional settings, a severe spectral bias occurs that obstructs convergence to high frequency components entirely. In order to overcome this limitation, one can encode the inputs using a high frequency sinusoidal encoding. Previous works attempted to explain this phenomenon using Neural Tangent Kernel (NTK) and Fourier analysis. However, NTK does not capture real network dynamics, and Fourier analysis only offers a global perspective on the network properties that induce this bias. In this paper, we provide a novel approach towards understanding spectral bias by directly studying ReLU MLP training dynamics. Specifically, we focus on the connection between the computations of ReLU networks (activation regions), and the speed of gradient descent convergence. We study these dynamics in relation to the spatial information of the signal to understand how they influence spectral bias. We then use this formulation to study the severity of spectral bias in low dimensional settings, and how positional encoding overcomes this.

Multivariate time series (MTS) forecasting has shown great importance in numerous industries. Current state-of-the-art graph neural network (GNN)-based forecasting methods usually require both graph networks (e.g., GCN) and temporal networks (e.g., LSTM) to capture inter-series (spatial) dynamics and intra-series (temporal) dependencies, respectively. However, the uncertain compatibility of the two networks puts an extra burden on handcrafted model designs. Moreover, the separate spatial and temporal modeling naturally violates the unified spatiotemporal inter-dependencies in real world, which largely hinders the forecasting performance. To overcome these problems, we explore an interesting direction of directly applying graph networks and rethink MTS forecasting from a pure graph perspective. We first define a novel data structure, hypervariate graph, which regards each series value (regardless of variates or timestamps) as a graph node, and represents sliding windows as space-time fully-connected graphs. This perspective considers spatiotemporal dynamics unitedly and reformulates classic MTS forecasting into the predictions on hypervariate graphs. Then, we propose a novel architecture Fourier Graph Neural Network (FourierGNN) by stacking our proposed Fourier Graph Operator (FGO) to perform matrix multiplications in Fourier space. FourierGNN accommodates adequate expressiveness and achieves much lower complexity, which can effectively and efficiently accomplish the forecasting. Besides, our theoretical analysis reveals FGO's equivalence to graph convolutions in the time domain, which further verifies the validity of FourierGNN. Extensive experiments on seven datasets have demonstrated our superior performance with higher efficiency and fewer parameters compared with state-of-the-art methods.

Parameter-efficient fine-tuning (PEFT) has emerged as a crucial paradigm for adapting large language models (LLMs) under constrained computational budgets. However, standard PEFT methods often struggle in multi-task fine-tuning settings, where diverse optimization objectives induce task interference and limited parameter budgets lead to representational deficiency. While recent approaches incorporate mixture-of-experts (MoE) to alleviate these issues, they predominantly operate in the spatial domain, which may introduce structural redundancy and parameter overhead. To overcome these limitations, we reformulate adaptation in the spectral domain. Our spectral analysis reveals that different tasks exhibit distinct frequency energy distributions, and that LLM layers display heterogeneous frequency sensitivities. Motivated by these insights, we propose FourierMoE, which integrates the MoE architecture with the inverse discrete Fourier transform (IDFT) for frequency-aware adaptation. Specifically, FourierMoE employs a frequency-adaptive router to dispatch tokens to experts specialized in distinct frequency bands. Each expert learns a set of conjugate-symmetric complex coefficients, preserving complete phase and amplitude information while theoretically guaranteeing lossless IDFT reconstruction into real-valued spatial weights. Extensive evaluations across 28 benchmarks, multiple model architectures, and scales demonstrate that FourierMoE consistently outperforms competitive baselines in both single-task and multi-task settings while using significantly fewer trainable parameters. These results highlight the promise of spectral-domain expert adaptation as an effective and parameter-efficient paradigm for LLM fine-tuning.

The short-time Fourier transform (STFT) is widely used for analyzing non-stationary signals. However, its performance is highly sensitive to its parameters, and manual or heuristic tuning often yields suboptimal results. To overcome this limitation, we propose a unified differentiable formulation of the STFT that enables gradient-based optimization of its parameters. This approach addresses the limitations of traditional STFT parameter tuning methods, which often rely on computationally intensive discrete searches. It enables fine-tuning of the time-frequency representation (TFR) based on any desired criterion. Moreover, our approach integrates seamlessly with neural networks, allowing joint optimization of the STFT parameters and network weights. The efficacy of the proposed differentiable STFT in enhancing TFRs and improving performance in downstream tasks is demonstrated through experiments on both simulated and real-world data.

A variety of infinitely wide neural architectures (e.g., dense NNs, CNNs, and transformers) induce Gaussian process (GP) priors over their outputs. These relationships provide both an accurate characterization of the prior predictive distribution and enable the use of GP machinery to improve the uncertainty quantification of deep neural networks. In this work, we extend this connection to neural operators (NOs), a class of models designed to learn mappings between function spaces. Specifically, we show conditions for when arbitrary-depth NOs with Gaussian-distributed convolution kernels converge to function-valued GPs. Based on this result, we show how to compute the covariance functions of these NO-GPs for two NO parametrizations, including the popular Fourier neural operator (FNO). With this, we compute the posteriors of these GPs in regression scenarios, including PDE solution operators. This work is an important step towards uncovering the inductive biases of current FNO architectures and opens a path to incorporate novel inductive biases for use in kernel-based operator learning methods.

It is well-known that if a network aims to learn how to deblur, it should understand the blur process. Blurring is naturally caused by the convolution of the sharp image with the blur kernel. Thus, allowing the network to learn the blur process in the kernel-level can significantly improve the image deblurring performance. But, current deep networks are still at the pixel-level learning stage, either performing end-to-end pixel-level restoration or stage-wise pseudo kernel-level restoration, failing to enable the deblur model to understand the essence of the blur. To this end, we propose Fourier Kernel Estimator (FKE), which considers the activation operation in Fourier space and converts the convolution problem in the spatial domain to a multiplication problem in Fourier space. Our FKE, jointly optimized with the deblur model, enables the network to learn the kernel-level blur process with low complexity and without any additional supervision. Furthermore, we change the convolution object of the kernel from ``image" to network extracted ``feature", whose rich semantic and structural information is more suitable to blur process learning. With the convolution of the feature and the estimated kernel, our model can learn the essence of blur in kernel-level. To further improve the efficiency of feature extraction, we design a decoupled multi-scale architecture with multiple hierarchical sub-unets with a reversible strategy, which allows better multi-scale encoding and decoding in low training memory. Extensive experiments indicate that our method achieves state-of-the-art motion deblurring results and show potential for handling other kernel-related problems. Analysis also shows our kernel estimator is able to learn physically meaningful kernels. The code will be available at https://github.com/DeepMed-Lab-ECNU/Single-Image-Deblur.

Vision transformers have delivered tremendous success in representation learning. This is primarily due to effective token mixing through self attention. However, this scales quadratically with the number of pixels, which becomes infeasible for high-resolution inputs. To cope with this challenge, we propose Adaptive Fourier Neural Operator (AFNO) as an efficient token mixer that learns to mix in the Fourier domain. AFNO is based on a principled foundation of operator learning which allows us to frame token mixing as a continuous global convolution without any dependence on the input resolution. This principle was previously used to design FNO, which solves global convolution efficiently in the Fourier domain and has shown promise in learning challenging PDEs. To handle challenges in visual representation learning such as discontinuities in images and high resolution inputs, we propose principled architectural modifications to FNO which results in memory and computational efficiency. This includes imposing a block-diagonal structure on the channel mixing weights, adaptively sharing weights across tokens, and sparsifying the frequency modes via soft-thresholding and shrinkage. The resulting model is highly parallel with a quasi-linear complexity and has linear memory in the sequence size. AFNO outperforms self-attention mechanisms for few-shot segmentation in terms of both efficiency and accuracy. For Cityscapes segmentation with the Segformer-B3 backbone, AFNO can handle a sequence size of 65k and outperforms other efficient self-attention mechanisms.

Neural operators learn to map initial conditions to the terminal solution of partial differential equations (PDEs), providing a surrogate for the full operator mapping. This enables rapid prediction across different input configurations. While recent neural operator architectures have demonstrated strong performance on diverse PDE tasks, their behavior under structured distribution shifts remains insufficiently understood. To investigate this, we study operator learning in a wave propagation setting governed by a one-dimensional variable-coefficient wave equation, using two representative architectures, the Fourier Neural Operator (FNO) and the Deep Operator Network (DeepONet). To examine their generalization under distribution shifts, we consider structured out-of-distribution (OOD) settings that independently vary input frequency and coefficient smoothness. The results show that under smoothness shifts, both models maintain stable performance, with FNO achieving lower error. In contrast, under frequency shifts, FNO exhibits a sharp increase in error under unseen high-frequency inputs, whereas DeepONet shows milder degradation despite higher overall error. Our analysis reveals that these differences arise from how each architecture represents and responds to variations in frequency structure. Together, these findings highlight a fundamental gap between strong in-distribution performance and generalization under distribution shifts in operator learning, underscoring the role of architectural representation bias in developing more reliable neural operators for physics-based PDE simulations beyond the training distribution.

We consider solving partial differential equations (PDEs) with Fourier neural operators (FNOs), which operate in the frequency domain. Since the laws of physics do not depend on the coordinate system used to describe them, it is desirable to encode such symmetries in the neural operator architecture for better performance and easier learning. While encoding symmetries in the physical domain using group theory has been studied extensively, how to capture symmetries in the frequency domain is under-explored. In this work, we extend group convolutions to the frequency domain and design Fourier layers that are equivariant to rotations, translations, and reflections by leveraging the equivariance property of the Fourier transform. The resulting G-FNO architecture generalizes well across input resolutions and performs well in settings with varying levels of symmetry. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

We introduce new differentially private (DP) mechanisms for gradient-based machine learning (ML) with multiple passes (epochs) over a dataset, substantially improving the achievable privacy-utility-computation tradeoffs. We formalize the problem of DP mechanisms for adaptive streams with multiple participations and introduce a non-trivial extension of online matrix factorization DP mechanisms to our setting. This includes establishing the necessary theory for sensitivity calculations and efficient computation of optimal matrices. For some applications like >!! 10,000 SGD steps, applying these optimal techniques becomes computationally expensive. We thus design an efficient Fourier-transform-based mechanism with only a minor utility loss. Extensive empirical evaluation on both example-level DP for image classification and user-level DP for language modeling demonstrate substantial improvements over all previous methods, including the widely-used DP-SGD . Though our primary application is to ML, our main DP results are applicable to arbitrary linear queries and hence may have much broader applicability.

Although Kolmogorov-Arnold based interpretable networks (KAN) have strong theoretical expressiveness, they face significant parameter explosion and high-frequency feature capture challenges in high-dimensional tasks. To address this issue, we propose the Kolmogorov-Arnold-Fourier Network (KAF), which effectively integrates trainable Random Fourier Features (RFF) and a novel hybrid GELU-Fourier activation mechanism to balance parameter efficiency and spectral representation capabilities. Our key technical contributions include: (1) merging KAN's dual-matrix structure through matrix association properties to substantially reduce parameters; (2) introducing learnable RFF initialization strategies to eliminate spectral distortion in high-dimensional approximation tasks; (3) implementing an adaptive hybrid activation function that progressively enhances frequency representation during the training process. Comprehensive experiments demonstrate the superiority of our KAF across various domains including vision, NLP, audio processing, and differential equation-solving tasks, effectively combining theoretical interpretability with practical utility and computational efficiency.

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.

Symmetry learning has proven to be an effective approach for extracting the hidden structure of data, with the concept of equivariance relation playing the central role. However, most of the current studies are built on architectural theory and corresponding assumptions on the form of data. We propose Neural Fourier Transform (NFT), a general framework of learning the latent linear action of the group without assuming explicit knowledge of how the group acts on data. We present the theoretical foundations of NFT and show that the existence of a linear equivariant feature, which has been assumed ubiquitously in equivariance learning, is equivalent to the existence of a group invariant kernel on the dataspace. We also provide experimental results to demonstrate the application of NFT in typical scenarios with varying levels of knowledge about the acting group.

In computer vision, models must be able to adapt to changes in image resolution to effectively carry out tasks such as image segmentation; This is known as scale-equivariance. Recent works have made progress in developing scale-equivariant convolutional neural networks, e.g., through weight-sharing and kernel resizing. However, these networks are not truly scale-equivariant in practice. Specifically, they do not consider anti-aliasing as they formulate the down-scaling operation in the continuous domain. To address this shortcoming, we directly formulate down-scaling in the discrete domain with consideration of anti-aliasing. We then propose a novel architecture based on Fourier layers to achieve truly scale-equivariant deep nets, i.e., absolute zero equivariance-error. Following prior works, we test this model on MNIST-scale and STL-10 datasets. Our proposed model achieves competitive classification performance while maintaining zero equivariance-error.

Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.

Conventional self-attention mechanisms incur quadratic complexity, limiting their scalability on long sequences. We introduce FFTNet, an adaptive spectral filtering framework that leverages the Fast Fourier Transform (FFT) to achieve global token mixing in O(nlog n) time. By transforming inputs into the frequency domain, FFTNet exploits the orthogonality and energy preservation guaranteed by Parseval's theorem to capture long-range dependencies efficiently. A learnable spectral filter and modReLU activation dynamically emphasize salient frequency components, providing a rigorous and adaptive alternative to traditional self-attention. Experiments on the Long Range Arena and ImageNet benchmarks validate our theoretical insights and demonstrate superior performance over fixed Fourier and standard attention models.

Attentional mechanisms are order-invariant. Positional encoding is a crucial component to allow attention-based deep model architectures such as Transformer to address sequences or images where the position of information matters. In this paper, we propose a novel positional encoding method based on learnable Fourier features. Instead of hard-coding each position as a token or a vector, we represent each position, which can be multi-dimensional, as a trainable encoding based on learnable Fourier feature mapping, modulated with a multi-layer perceptron. The representation is particularly advantageous for a spatial multi-dimensional position, e.g., pixel positions on an image, where L_2 distances or more complex positional relationships need to be captured. Our experiments based on several public benchmark tasks show that our learnable Fourier feature representation for multi-dimensional positional encoding outperforms existing methods by both improving the accuracy and allowing faster convergence.

This paper introduces the idea of applying signal processing inside a Large Language Model (LLM). With the recent explosion of generative AI, our work can help bridge two fields together, namely the field of signal processing and large language models. We draw parallels between classical Fourier-Transforms and Fourier Transform-like learnable time-frequency representations for every intermediate activation signal of an LLM. Once we decompose every activation signal across tokens into a time-frequency representation, we learn how to filter and reconstruct them, with all components learned from scratch, to predict the next token given the previous context. We show that for GPT-like architectures, our work achieves faster convergence and significantly increases performance by adding a minuscule number of extra parameters when trained for the same epochs. We hope this work paves the way for algorithms exploring signal processing inside the signals found in neural architectures like LLMs and beyond.

Modeling long-range dependencies in time series generation poses a fundamental trade-off between representational capacity and computational efficiency. Traditional temporal diffusion models suffer from local entanglement and the O(L^2) cost of attention mechanisms. We address these limitations by introducing PaCoDi (Parallel Complex Diffusion), a spectral-native architecture that decouples generative modeling in the frequency domain. PaCoDi fundamentally alters the problem topology: the Fourier Transform acts as a diagonalizing operator, converting locally coupled temporal signals into globally decorrelated spectral components. Theoretically, we prove the Quadrature Forward Diffusion and Conditional Reverse Factorization theorem, demonstrating that the complex diffusion process can be split into independent real and imaginary branches. We bridge the gap between this decoupled theory and data reality using a Mean Field Theory (MFT) approximation reinforced by an interactive correction mechanism. Furthermore, we generalize this discrete DDPM to continuous-time Frequency SDEs, rigorously deriving the Spectral Wiener Process describe the differential spectral Brownian motion limit. Crucially, PaCoDi exploits the Hermitian Symmetry of real-valued signals to compress the sequence length by half, achieving a 50% reduction in attention FLOPs without information loss. We further derive a rigorous Heteroscedastic Loss to handle the non-isotropic noise distribution on the compressed manifold. Extensive experiments show that PaCoDi outperforms existing baselines in both generation quality and inference speed, offering a theoretically grounded and computationally efficient solution for time series modeling.

Despite the remarkable success achieved by neural networks, particularly those represented by MLP and Transformer, we reveal that they exhibit potential flaws in the modeling and reasoning of periodicity, i.e., they tend to memorize the periodic data rather than genuinely understanding the underlying principles of periodicity. However, periodicity is a crucial trait in various forms of reasoning and generalization, underpinning predictability across natural and engineered systems through recurring patterns in observations. In this paper, we propose FAN, a novel network architecture based on Fourier Analysis, which empowers the ability to efficiently model and reason about periodic phenomena. By introducing Fourier Series, the periodicity is naturally integrated into the structure and computational processes of the neural network, thus achieving a more accurate expression and prediction of periodic patterns. As a promising substitute to multi-layer perceptron (MLP), FAN can seamlessly replace MLP in various models with fewer parameters and FLOPs. Through extensive experiments, we demonstrate the effectiveness of FAN in modeling and reasoning about periodic functions, and the superiority and generalizability of FAN across a range of real-world tasks, including symbolic formula representation, time series forecasting, and language modeling.

The transformer model is known to be computationally demanding, and prohibitively costly for long sequences, as the self-attention module uses a quadratic time and space complexity with respect to sequence length. Many researchers have focused on designing new forms of self-attention or introducing new parameters to overcome this limitation, however a large portion of them prohibits the model to inherit weights from large pretrained models. In this work, the transformer's inefficiency has been taken care of from another perspective. We propose Fourier Transformer, a simple yet effective approach by progressively removing redundancies in hidden sequence using the ready-made Fast Fourier Transform (FFT) operator to perform Discrete Cosine Transformation (DCT). Fourier Transformer is able to significantly reduce computational costs while retain the ability to inherit from various large pretrained models. Experiments show that our model achieves state-of-the-art performances among all transformer-based models on the long-range modeling benchmark LRA with significant improvement in both speed and space. For generative seq-to-seq tasks including CNN/DailyMail and ELI5, by inheriting the BART weights our model outperforms the standard BART and other efficient models. Our code is publicly available at \url{https://github.com/LUMIA-Group/FourierTransformer}

Surrogate modeling of wave propagation and scattering (i.e. the wave speed and source to wave field map) in heterogeneous media has significant potential in applications such as seismic imaging and inversion. High-contrast settings, such as subsurface models with salt bodies, exhibit strong scattering and phase sensitivity that challenge existing neural operators. We propose a hybrid architecture that decomposes the scattering operator into two separate contributions: a smooth background propagation and a high-contrast scattering correction. The smooth component is learned with a Fourier Neural Operator (FNO), which produces globally coupled feature tokens encoding background wave propagation; these tokens are then passed to a vision transformer, where attention is used to model the high-contrast scattering correction dominated by strong, spatial interactions. Evaluated on high-frequency Helmholtz problems with strong contrasts, the hybrid model achieves substantially improved phase and amplitude accuracy compared to standalone FNOs or transformers, with favorable accuracy-parameter scaling.

We consider the solvable neural scaling model with three parameters: data complexity, target complexity, and model-parameter-count. We use this neural scaling model to derive new predictions about the compute-limited, infinite-data scaling law regime. To train the neural scaling model, we run one-pass stochastic gradient descent on a mean-squared loss. We derive a representation of the loss curves which holds over all iteration counts and improves in accuracy as the model parameter count grows. We then analyze the compute-optimal model-parameter-count, and identify 4 phases (+3 subphases) in the data-complexity/target-complexity phase-plane. The phase boundaries are determined by the relative importance of model capacity, optimizer noise, and embedding of the features. We furthermore derive, with mathematical proof and extensive numerical evidence, the scaling-law exponents in all of these phases, in particular computing the optimal model-parameter-count as a function of floating point operation budget.

This paper studies a machine learning regression problem as a multivariate approximation problem using the framework of the theory of random functions. An ab initio derivation of a regression method is proposed, starting from postulates of indifference. It is shown that if a probability measure on an infinite-dimensional function space possesses natural symmetries (invariance under translation, rotation, scaling, and Gaussianity), then the entire solution scheme, including the kernel form, the type of regularization, and the noise parameterization, follows analytically from these postulates. The resulting kernel coincides with a generalized polyharmonic spline; however, unlike existing approaches, it is not chosen empirically but arises as a consequence of the indifference principle. This result provides a theoretical foundation for a broad class of smoothing and interpolation methods, demonstrating their optimality in the absence of a priori information.

We develop a general mathematical framework to analyze scaling regimes and derive explicit analytic solutions for gradient flow (GF) in large learning problems. Our key innovation is a formal power series expansion of the loss evolution, with coefficients encoded by diagrams akin to Feynman diagrams. We show that this expansion has a well-defined large-size limit that can be used to reveal different learning phases and, in some cases, to obtain explicit solutions of the nonlinear GF. We focus on learning Canonical Polyadic (CP) decompositions of high-order tensors, and show that this model has several distinct extreme lazy and rich GF regimes such as free evolution, NTK and under- and over-parameterized mean-field. We show that these regimes depend on the parameter scaling, tensor order, and symmetry of the model in a specific and subtle way. Moreover, we propose a general approach to summing the formal loss expansion by reducing it to a PDE; in a wide range of scenarios, it turns out to be first-order and solvable by the method of characteristics. We observe a very good agreement of our theoretical predictions with experimental results.

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

Large Language Models struggle with memory demands from the growing Key-Value (KV) cache as context lengths increase. Existing compression methods homogenize head dimensions or rely on attention-guided token pruning, often sacrificing accuracy or introducing computational overhead. We propose FourierAttention, a training-free framework that exploits the heterogeneous roles of transformer head dimensions: lower dimensions prioritize local context, while upper ones capture long-range dependencies. By projecting the long-context-insensitive dimensions onto orthogonal Fourier bases, FourierAttention approximates their temporal evolution with fixed-length spectral coefficients. Evaluations on LLaMA models show that FourierAttention achieves the best long-context accuracy on LongBench and Needle-In-A-Haystack (NIAH). Besides, a custom Triton kernel, FlashFourierAttention, is designed to optimize memory via streamlined read-write operations, enabling efficient deployment without performance compromise.

Initialization of parameters in deep neural networks has been shown to have a big impact on the performance of the networks (Mishkin & Matas, 2015). The initialization scheme devised by He et al, allowed convolution activations to carry a constrained mean which allowed deep networks to be trained effectively (He et al., 2015a). Orthogonal initializations and more generally orthogonal matrices in standard recurrent networks have been proved to eradicate the vanishing and exploding gradient problem (Pascanu et al., 2012). Majority of current initialization schemes do not take fully into account the intrinsic structure of the convolution operator. Using the duality of the Fourier transform and the convolution operator, Convolution Aware Initialization builds orthogonal filters in the Fourier space, and using the inverse Fourier transform represents them in the standard space. With Convolution Aware Initialization we noticed not only higher accuracy and lower loss, but faster convergence. We achieve new state of the art on the CIFAR10 dataset, and achieve close to state of the art on various other tasks.

In-line digital holography (DIH) is a widely used lensless imaging technique, valued for its simplicity and capability to image samples at high throughput. However, capturing only intensity of the interference pattern during the recording process gives rise to some unwanted terms such as cross-term and twin-image. The cross-term can be suppressed by adjusting the intensity of reference wave, but the twin-image problem remains. The twin-image is a spectral artifact that superimposes a defocused conjugate wave onto the reconstructed object, severely degrading image quality. While deep learning has recently emerged as a powerful tool for phase retrieval, traditional Convolutional Neural Networks (CNNs) are limited by their local receptive fields, making them less effective at capturing the global diffraction patterns inherent in holography. In this study, we introduce HoloPASWIN, a physics-aware deep learning framework based on the Swin Transformer architecture. By leveraging hierarchical shifted-window attention, our model efficiently captures both local details and long-range dependencies essential for accurate holographic reconstruction. We propose a comprehensive loss function that integrates frequency-domain constraints with physical consistency via a differentiable angular spectrum propagator, ensuring high spectral fidelity. Validated on a large-scale synthetic dataset of 25,000 samples with diverse noise configurations (speckle, shot, read, and dark noise), HoloPASWIN demonstrates effective twin-image suppression and robust reconstruction quality.

As the field of representation learning grows, there has been a proliferation of different loss functions to solve different classes of problems. We introduce a single information-theoretic equation that generalizes a large collection of modern loss functions in machine learning. In particular, we introduce a framework that shows that several broad classes of machine learning methods are precisely minimizing an integrated KL divergence between two conditional distributions: the supervisory and learned representations. This viewpoint exposes a hidden information geometry underlying clustering, spectral methods, dimensionality reduction, contrastive learning, and supervised learning. This framework enables the development of new loss functions by combining successful techniques from across the literature. We not only present a wide array of proofs, connecting over 23 different approaches, but we also leverage these theoretical results to create state-of-the-art unsupervised image classifiers that achieve a +8% improvement over the prior state-of-the-art on unsupervised classification on ImageNet-1K. We also demonstrate that I-Con can be used to derive principled debiasing methods which improve contrastive representation learners.

Recent advancements in neural vocoding are predominantly driven by Generative Adversarial Networks (GANs) operating in the time-domain. While effective, this approach neglects the inductive bias offered by time-frequency representations, resulting in reduntant and computionally-intensive upsampling operations. Fourier-based time-frequency representation is an appealing alternative, aligning more accurately with human auditory perception, and benefitting from well-established fast algorithms for its computation. Nevertheless, direct reconstruction of complex-valued spectrograms has been historically problematic, primarily due to phase recovery issues. This study seeks to close this gap by presenting Vocos, a new model that directly generates Fourier spectral coefficients. Vocos not only matches the state-of-the-art in audio quality, as demonstrated in our evaluations, but it also substantially improves computational efficiency, achieving an order of magnitude increase in speed compared to prevailing time-domain neural vocoding approaches. The source code and model weights have been open-sourced at https://github.com/charactr-platform/vocos.

As large language models (LLMs) scale, the question is not only how large they become, but how much of their capacity is effectively utilized. Existing scaling laws relate model size to loss, yet overlook how components exploit their latent space. We study feed-forward networks (FFNs) and recast width selection as a spectral utilization problem. Using a lightweight diagnostic suite -- Hard Rank (participation ratio), Soft Rank (Shannon rank), Spectral Concentration, and the composite Spectral Utilization Index (SUI) -- we quantify how many latent directions are meaningfully activated across LLaMA, GPT-2, and nGPT families. Our key finding is an asymmetric spectral scaling law: soft rank follows an almost perfect power law with FFN width, while hard rank grows only sublinearly and with high variance. This asymmetry suggests that widening FFNs mostly adds low-energy tail directions, while dominant-mode subspaces saturate early. Moreover, at larger widths, variance further collapses into a narrow subspace, leaving much of the latent space under-utilized. These results recast FFN width selection as a principled trade-off between tail capacity and dominant-mode capacity, offering concrete guidance for inference-efficient LLM design.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

Despite the non-autoregressive potential of diffusion language models (dLLMs), existing decoding strategies demonstrate positional bias, failing to fully unlock the potential of arbitrary generation. In this work, we delve into the inherent spectral characteristics of dLLMs and present the first frequency-domain analysis showing that low-frequency components in hidden states primarily encode global structural information and long-range dependencies, while high-frequency components are responsible for characterizing local details. Based on this observation, we propose FourierSampler, which leverages a frequency-domain sliding window mechanism to dynamically guide the model to achieve a "structure-to-detail" generation. FourierSampler outperforms other inference enhancement strategies on LLADA and SDAR, achieving relative improvements of 20.4% on LLaDA1.5-8B and 16.0% on LLaDA-8B-Instruct. It notably surpasses similarly sized autoregressive models like Llama3.1-8B-Instruct.

Previous literature offers limited clues on how to learn a periodic function using modern neural networks. We start with a study of the extrapolation properties of neural networks; we prove and demonstrate experimentally that the standard activations functions, such as ReLU, tanh, sigmoid, along with their variants, all fail to learn to extrapolate simple periodic functions. We hypothesize that this is due to their lack of a "periodic" inductive bias. As a fix of this problem, we propose a new activation, namely, x + sin^2(x), which achieves the desired periodic inductive bias to learn a periodic function while maintaining a favorable optimization property of the ReLU-based activations. Experimentally, we apply the proposed method to temperature and financial data prediction.

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability eta(x)=P(Y=1mid X=x), we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of 2eta(x)-1 and apply the method to real datasets.

We initiate the study of proper losses for evaluating generative models in the discrete setting. Unlike traditional proper losses, we treat both the generative model and the target distribution as black-boxes, only assuming ability to draw i.i.d. samples. We define a loss to be black-box proper if the generative distribution that minimizes expected loss is equal to the target distribution. Using techniques from statistical estimation theory, we give a general construction and characterization of black-box proper losses: they must take a polynomial form, and the number of draws from the model and target distribution must exceed the degree of the polynomial. The characterization rules out a loss whose expectation is the cross-entropy between the target distribution and the model. By extending the construction to arbitrary sampling schemes such as Poisson sampling, however, we show that one can construct such a loss.

Recent advancements in data-driven weather forecasting models have delivered deterministic models that outperform the leading operational forecast systems based on traditional, physics-based models. However, these data-driven models are typically trained with a mean squared error loss function, which causes smoothing of fine scales through a "double penalty" effect. We develop a simple, parameter-free modification to this loss function that avoids this problem by separating the loss attributable to decorrelation from the loss attributable to spectral amplitude errors. Fine-tuning the GraphCast model with this new loss function results in sharp deterministic weather forecasts, an increase of the model's effective resolution from 1,250km to 160km, improvements to ensemble spread, and improvements to predictions of tropical cyclone strength and surface wind extremes.

Cross-entropy is a widely used loss function in applications. It coincides with the logistic loss applied to the outputs of a neural network, when the softmax is used. But, what guarantees can we rely on when using cross-entropy as a surrogate loss? We present a theoretical analysis of a broad family of loss functions, comp-sum losses, that includes cross-entropy (or logistic loss), generalized cross-entropy, the mean absolute error and other cross-entropy-like loss functions. We give the first H-consistency bounds for these loss functions. These are non-asymptotic guarantees that upper bound the zero-one loss estimation error in terms of the estimation error of a surrogate loss, for the specific hypothesis set H used. We further show that our bounds are tight. These bounds depend on quantities called minimizability gaps. To make them more explicit, we give a specific analysis of these gaps for comp-sum losses. We also introduce a new family of loss functions, smooth adversarial comp-sum losses, that are derived from their comp-sum counterparts by adding in a related smooth term. We show that these loss functions are beneficial in the adversarial setting by proving that they admit H-consistency bounds. This leads to new adversarial robustness algorithms that consist of minimizing a regularized smooth adversarial comp-sum loss. While our main purpose is a theoretical analysis, we also present an extensive empirical analysis comparing comp-sum losses. We further report the results of a series of experiments demonstrating that our adversarial robustness algorithms outperform the current state-of-the-art, while also achieving a superior non-adversarial accuracy.

Image reconstruction and synthesis have witnessed remarkable progress thanks to the development of generative models. Nonetheless, gaps could still exist between the real and generated images, especially in the frequency domain. In this study, we show that narrowing gaps in the frequency domain can ameliorate image reconstruction and synthesis quality further. We propose a novel focal frequency loss, which allows a model to adaptively focus on frequency components that are hard to synthesize by down-weighting the easy ones. This objective function is complementary to existing spatial losses, offering great impedance against the loss of important frequency information due to the inherent bias of neural networks. We demonstrate the versatility and effectiveness of focal frequency loss to improve popular models, such as VAE, pix2pix, and SPADE, in both perceptual quality and quantitative performance. We further show its potential on StyleGAN2.

Large Language Models (LLMs) typically represent numbers using multiple tokens, which requires the model to aggregate these tokens to interpret numerical values. This fragmentation makes both training and inference less efficient and adversely affects the model's performance on number-related tasks. Inspired by the observation that pre-trained LLMs internally learn Fourier-like features for number tokens, we propose Fourier Number Embedding (FoNE), a novel method that directly maps numbers into the embedding space with their Fourier features. FoNE encodes each number as a single token with only two embedding dimensions per digit, effectively capturing numerical values without fragmentation. This compact representation accelerates both training and inference. Compared to traditional subword and digit-wise embeddings, FoNE not only reduces computational overhead but also achieves higher accuracy across various numerical tasks including addition, subtraction and multiplication. On 6-digit decimal addition, FoNE requires 64times less data to achieve 99% accuracy than subword and digit-wise embeddings while using 3times and 6times fewer tokens per number, respectively. Furthermore, FoNE is the only method that yields 100% accuracy on over 100,000 test examples for addition, subtraction, and multiplication. The codes and visualization are available at https://fouriernumber.github.io/.

Physics-informed surrogate models can accelerate computational fluid dynamics simulations. However, many existing methods reproduce global flow patterns more reliably than localized multiscale structures. This study presents a physics-informed Fourier-wavelet transformer for next-step velocity-field reconstruction in real-world flow benchmarks. The proposed formulation combines hybrid Fourier-wavelet spectral encoding with physics-biased self-attention based on partial differential equation residual diagnostics. It also uses self-supervised pretraining through Masked Physics Prediction and Equation Consistency Prediction. The experiments are conducted on two real benchmark cases: cylinder-wake flow and fluid-structure interaction. All approaches are evaluated under a shared local protocol and compared with spectral, transformer-based, operator-learning, and physics-informed neural-network baselines. On the cylinder-wake benchmark, the proposed model achieves the best aggregate accuracy, with an all-channel normalized mean-squared error of 0.05875 and an all-channel Pearson correlation coefficient of 0.97019. On the fluid-structure-interaction benchmark, it gives the lowest all-channel normalized mean-squared error of 2.70 times 10^{-4}, compared with 4.02 times 10^{-4} for the strongest baseline. Component-wise field comparisons and scale-separated diagnostics further show stronger recovery of localized wake structures, including near-body, wake-core, and far-wake features. The results demonstrate improved real-world flow reconstruction while maintaining a practical accuracy-cost tradeoff.

Kolmogorov-Arnold networks (KANs) are a remarkable innovation consisting of learnable activation functions with the potential to capture more complex relationships from data. Although KANs are useful in finding symbolic representations and continual learning of one-dimensional functions, their effectiveness in diverse machine learning (ML) tasks, such as vision, remains questionable. Presently, KANs are deployed by replacing multilayer perceptrons (MLPs) in deep network architectures, including advanced architectures such as vision Transformers (ViTs). In this paper, we are the first to design a general learnable Kolmogorov-Arnold Attention (KArAt) for vanilla ViTs that can operate on any choice of basis. However, the computing and memory costs of training them motivated us to propose a more modular version, and we designed particular learnable attention, called Fourier-KArAt. Fourier-KArAt and its variants either outperform their ViT counterparts or show comparable performance on CIFAR-10, CIFAR-100, and ImageNet-1K datasets. We dissect these architectures' performance and generalization capacity by analyzing their loss landscapes, weight distributions, optimizer path, attention visualization, and spectral behavior, and contrast them with vanilla ViTs. The goal of this paper is not to produce parameter- and compute-efficient attention, but to encourage the community to explore KANs in conjunction with more advanced architectures that require a careful understanding of learnable activations. Our open-source code and implementation details are available on: https://subhajitmaity.me/KArAt

Excluding irrelevant features in a pattern recognition task plays an important role in maintaining a simpler machine learning model and optimizing the computational efficiency. Nowadays with the rise of large scale datasets, feature selection is in great demand as it becomes a central issue when facing high-dimensional datasets. The present study provides a new measure of saliency for features by employing a Sensitivity Analysis (SA) technique called the extended Fourier amplitude sensitivity test, and a well-trained Feedforward Neural Network (FNN) model, which ultimately leads to the selection of a promising optimal feature subset. Ideas of the paper are mainly demonstrated based on adopting FNN model for feature selection in classification problems. But in the end, a generalization framework is discussed in order to give insights into the usage in regression problems as well as expressing how other function approximate models can be deployed. Effectiveness of the proposed method is verified by result analysis and data visualization for a series of experiments over several well-known datasets drawn from UCI machine learning repository.

Recently, a series of papers proposed deep learning-based approaches to sample from unnormalized target densities using controlled diffusion processes. In this work, we identify these approaches as special cases of the Schr\"odinger bridge problem, seeking the most likely stochastic evolution between a given prior distribution and the specified target. We further generalize this framework by introducing a variational formulation based on divergences between path space measures of time-reversed diffusion processes. This abstract perspective leads to practical losses that can be optimized by gradient-based algorithms and includes previous objectives as special cases. At the same time, it allows us to consider divergences other than the reverse Kullback-Leibler divergence that is known to suffer from mode collapse. In particular, we propose the so-called log-variance loss, which exhibits favorable numerical properties and leads to significantly improved performance across all considered approaches.

Pre-training has been investigated to improve the efficiency and performance of training neural operators in data-scarce settings. However, it is largely in its infancy due to the inherent complexity and diversity, such as long trajectories, multiple scales and varying dimensions of partial differential equations (PDEs) data. In this paper, we present a new auto-regressive denoising pre-training strategy, which allows for more stable and efficient pre-training on PDE data and generalizes to various downstream tasks. Moreover, by designing a flexible and scalable model architecture based on Fourier attention, we can easily scale up the model for large-scale pre-training. We train our PDE foundation model with up to 0.5B parameters on 10+ PDE datasets with more than 100k trajectories. Extensive experiments show that we achieve SOTA on these benchmarks and validate the strong generalizability of our model to significantly enhance performance on diverse downstream PDE tasks like 3D data. Code is available at https://github.com/thu-ml/DPOT.

Machine learning weather prediction (MLWP) models have demonstrated remarkable potential in delivering accurate forecasts at significantly reduced computational cost compared to traditional numerical weather prediction (NWP) systems. However, challenges remain in ensuring the physical consistency of MLWP outputs, particularly in deterministic settings. This study presents FastNet, a graph neural network (GNN)-based global prediction model, and investigates the impact of alternative loss function designs on improving the physical realism of its forecasts. We explore three key modifications to the standard mean squared error (MSE) loss: (1) a modified spherical harmonic (MSH) loss that penalises spectral amplitude errors to reduce blurring and enhance small-scale structure retention; (2) inclusion of horizontal gradient terms in the loss to suppress non-physical artefacts; and (3) an alternative wind representation that decouples speed and direction to better capture extreme wind events. Results show that while the MSH and gradient-based losses alone may slightly degrade RMSE scores, when trained in combination the model exhibits very similar MSE performance to an MSE-trained model while at the same time significantly improving spectral fidelity and physical consistency. The alternative wind representation further improves wind speed accuracy and reduces directional bias. Collectively, these findings highlight the importance of loss function design as a mechanism for embedding domain knowledge into MLWP models and advancing their operational readiness.

Neural PDE solvers are increasingly used as learned surrogates for families of partial differential equations, where the key machine learning challenge is not only interpolation on a fixed benchmark distribution but generalization under structured shifts in coefficients, boundary conditions, discretization, and rollout horizon. Yet evaluation is still often dominated by in-distribution test error, making robustness difficult to assess. We introduce a standardized stress-testing framework for neural PDE solvers under deployment-relevant shift. We instantiate it on three representative architectures -- Fourier Neural Operators (FNOs), a DeepONet-style model, and convolutional neural operators (CNOs) -- across five qualitatively different PDE families: dispersive, elliptic, multi-scale fluid, financial, and chaotic systems. Across 750 trained models, we measure robustness using baseline-normalized degradation factors together with spectral and rollout diagnostics. The resulting comparisons reveal that strong in-distribution accuracy does not reliably predict robustness, and that failure patterns depend jointly on architecture and PDE family. Our results provide a clearer basis for evaluating robustness claims in neural PDE solvers and suggest that function-space generalization under structured shift should be treated as a first-class evaluation target.

We propose the Fourier Adaptive Lite Diffusion Architecture (FALDA), a novel probabilistic framework for time series forecasting. First, we introduce the Diffusion Model for Residual Regression (DMRR) framework, which unifies diffusion-based probabilistic regression methods. Within this framework, FALDA leverages Fourier-based decomposition to incorporate a component-specific architecture, enabling tailored modeling of individual temporal components. A conditional diffusion model is utilized to estimate the future noise term, while our proposed lightweight denoiser, DEMA (Decomposition MLP with AdaLN), conditions on the historical noise term to enhance denoising performance. Through mathematical analysis and empirical validation, we demonstrate that FALDA effectively reduces epistemic uncertainty, allowing probabilistic learning to primarily focus on aleatoric uncertainty. Experiments on six real-world benchmarks demonstrate that FALDA consistently outperforms existing probabilistic forecasting approaches across most datasets for long-term time series forecasting while achieving enhanced computational efficiency without compromising accuracy. Notably, FALDA also achieves superior overall performance compared to state-of-the-art (SOTA) point forecasting approaches, with improvements of up to 9%.

Cross-entropy loss and focal loss are the most common choices when training deep neural networks for classification problems. Generally speaking, however, a good loss function can take on much more flexible forms, and should be tailored for different tasks and datasets. Motivated by how functions can be approximated via Taylor expansion, we propose a simple framework, named PolyLoss, to view and design loss functions as a linear combination of polynomial functions. Our PolyLoss allows the importance of different polynomial bases to be easily adjusted depending on the targeting tasks and datasets, while naturally subsuming the aforementioned cross-entropy loss and focal loss as special cases. Extensive experimental results show that the optimal choice within the PolyLoss is indeed dependent on the task and dataset. Simply by introducing one extra hyperparameter and adding one line of code, our Poly-1 formulation outperforms the cross-entropy loss and focal loss on 2D image classification, instance segmentation, object detection, and 3D object detection tasks, sometimes by a large margin.

In this paper, we prove representation bottlenecks of a cascaded convolutional decoder network, considering the capacity of representing different frequency components of an input sample. We conduct the discrete Fourier transform on each channel of the feature map in an intermediate layer of the decoder network. Then, we introduce the rule of the forward propagation of such intermediate-layer spectrum maps, which is equivalent to the forward propagation of feature maps through a convolutional layer. Based on this, we find that each frequency component in the spectrum map is forward propagated independently with other frequency components. Furthermore, we prove two bottlenecks in representing feature spectrums. First, we prove that the convolution operation, the zero-padding operation, and a set of other settings all make a convolutional decoder network more likely to weaken high-frequency components. Second, we prove that the upsampling operation generates a feature spectrum, in which strong signals repetitively appears at certain frequencies.

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.

Despite the recent visually-pleasing results achieved, the massive computational cost has been a long-standing flaw for diffusion probabilistic models (DPMs), which, in turn, greatly limits their applications on resource-limited platforms. Prior methods towards efficient DPM, however, have largely focused on accelerating the testing yet overlooked their huge complexity and sizes. In this paper, we make a dedicated attempt to lighten DPM while striving to preserve its favourable performance. We start by training a small-sized latent diffusion model (LDM) from scratch, but observe a significant fidelity drop in the synthetic images. Through a thorough assessment, we find that DPM is intrinsically biased against high-frequency generation, and learns to recover different frequency components at different time-steps. These properties make compact networks unable to represent frequency dynamics with accurate high-frequency estimation. Towards this end, we introduce a customized design for slim DPM, which we term as Spectral Diffusion (SD), for light-weight image synthesis. SD incorporates wavelet gating in its architecture to enable frequency dynamic feature extraction at every reverse steps, and conducts spectrum-aware distillation to promote high-frequency recovery by inverse weighting the objective based on spectrum magni tudes. Experimental results demonstrate that, SD achieves 8-18x computational complexity reduction as compared to the latent diffusion models on a series of conditional and unconditional image generation tasks while retaining competitive image fidelity.

Deep Learning-based Computer Vision field has recently been trying to explore larger kernels for convolution to effectively scale up Convolutional Neural Networks. Simultaneously, new paradigm of models such as Vision Transformers find it difficult to scale up to larger higher resolution images due to their quadratic complexity in terms of input sequence. In this report, Fast Fourier Transform is utilised in various ways to provide some solutions to these issues.

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

Conventional wisdom holds that autoregressive models for image generation are typically accompanied by vector-quantized tokens. We observe that while a discrete-valued space can facilitate representing a categorical distribution, it is not a necessity for autoregressive modeling. In this work, we propose to model the per-token probability distribution using a diffusion procedure, which allows us to apply autoregressive models in a continuous-valued space. Rather than using categorical cross-entropy loss, we define a Diffusion Loss function to model the per-token probability. This approach eliminates the need for discrete-valued tokenizers. We evaluate its effectiveness across a wide range of cases, including standard autoregressive models and generalized masked autoregressive (MAR) variants. By removing vector quantization, our image generator achieves strong results while enjoying the speed advantage of sequence modeling. We hope this work will motivate the use of autoregressive generation in other continuous-valued domains and applications.

We consider the problem of computing the Walsh-Hadamard Transform (WHT) of some N-length input vector in the presence of noise, where the N-point Walsh spectrum is K-sparse with K = {O}(N^{delta}) scaling sub-linearly in the input dimension N for some 0<delta<1. Over the past decade, there has been a resurgence in research related to the computation of Discrete Fourier Transform (DFT) for some length-N input signal that has a K-sparse Fourier spectrum. In particular, through a sparse-graph code design, our earlier work on the Fast Fourier Aliasing-based Sparse Transform (FFAST) algorithm computes the K-sparse DFT in time {O}(Klog K) by taking {O}(K) noiseless samples. Inspired by the coding-theoretic design framework, Scheibler et al. proposed the Sparse Fast Hadamard Transform (SparseFHT) algorithm that elegantly computes the K-sparse WHT in the absence of noise using {O}(Klog N) samples in time {O}(Klog^2 N). However, the SparseFHT algorithm explicitly exploits the noiseless nature of the problem, and is not equipped to deal with scenarios where the observations are corrupted by noise. Therefore, a question of critical interest is whether this coding-theoretic framework can be made robust to noise. Further, if the answer is yes, what is the extra price that needs to be paid for being robust to noise? In this paper, we show, quite interestingly, that there is {\it no extra price} that needs to be paid for being robust to noise other than a constant factor. In other words, we can maintain the same sample complexity {O}(Klog N) and the computational complexity {O}(Klog^2 N) as those of the noiseless case, using our SParse Robust Iterative Graph-based Hadamard Transform (SPRIGHT) algorithm.

The paper introduces the weighted convolution, a novel approach to the convolution for signals defined on regular grids (e.g., 2D images) through the application of an optimal density function to scale the contribution of neighbouring pixels based on their distance from the central pixel. This choice differs from the traditional uniform convolution, which treats all neighbouring pixels equally. Our weighted convolution can be applied to convolutional neural network problems to improve the approximation accuracy. Given a convolutional network, we define a framework to compute the optimal density function through a minimisation model. The framework separates the optimisation of the convolutional kernel weights (using stochastic gradient descent) from the optimisation of the density function (using DIRECT-L). Experimental results on a learning model for an image-to-image task (e.g., image denoising) show that the weighted convolution significantly reduces the loss (up to 53% improvement) and increases the test accuracy compared to standard convolution. While this method increases execution time by 11%, it is robust across several hyperparameters of the learning model. Future work will apply the weighted convolution to real-case 2D and 3D image convolutional learning problems.

Single image-to-3D generation is pivotal for crafting controllable 3D assets. Given its underconstrained nature, we leverage geometric priors from a 3D novel view generation diffusion model and appearance priors from a 2D image generation method to guide the optimization process. We note that a disparity exists between the training datasets of 2D and 3D diffusion models, leading to their outputs showing marked differences in appearance. Specifically, 2D models tend to deliver more detailed visuals, whereas 3D models produce consistent yet over-smooth results across different views. Hence, we optimize a set of 3D Gaussians using 3D priors in spatial domain to ensure geometric consistency, while exploiting 2D priors in the frequency domain through Fourier transform for higher visual quality. This 2D-3D hybrid Fourier Score Distillation objective function (dubbed hy-FSD), can be integrated into existing 3D generation methods, yielding significant performance improvements. With this technique, we further develop an image-to-3D generation pipeline to create high-quality 3D objects within one minute, named Fourier123. Extensive experiments demonstrate that Fourier123 excels in efficient generation with rapid convergence speed and visual-friendly generation results.

Extending the context length of Language Models (LMs) by improving Rotary Position Embedding (RoPE) has become a trend. While existing works mainly address RoPE's limitations within attention mechanism, this paper provides an analysis across nearly all parts of LMs, uncovering their adverse effects on length generalization for RoPE-based attention. Using Discrete Signal Processing theory, we show that RoPE enables periodic attention by implicitly achieving Non-Uniform Discrete Fourier Transform. However, this periodicity is undermined by the spectral damage caused by: 1) linear layers and activation functions outside of attention; 2) insufficiently trained frequency components brought by time-domain truncation. Building on our observations, we propose Fourier Position Embedding (FoPE), which enhances attention's frequency-domain properties to improve both its periodic extension and length generalization. FoPE constructs Fourier Series and zero-outs the destructive frequency components, increasing model robustness against the spectrum damage. Experiments across various model scales show that, within varying context windows, FoPE can maintain a more stable perplexity and a more consistent accuracy in a needle-in-haystack task compared to RoPE and ALiBi. Several analyses and ablations bring further support to our method and theoretical modeling.

Diffusion models typically suffer from error accumulation during iterative sampling, commonly referred to as exposure bias. We reveal systematic frequency-dependent discrepancies between training and inference, which can be interpreted as frequency-dependent SNR error. Crucially, the direction of this mismatch varies across models and timesteps, indicating that fixed correction rules do not generalize. We propose Spectral Alignment (SPA), a lightweight, guidance-based method that calibrates the power spectrum of intermediate predictions to a pre-computed prior. Our approach consists of two stages: (1) offline fitting of a parametric spectrum model from training data, and (2) inference-time guidance via efficient FFT-based gradient computation. SPA introduces minimal computational overhead (3-4\%) and is complementary to Classifier-Free Guidance (CFG). We demonstrate consistent improvements across diverse architectures, from pixel-space models (DDPM, ADM) to latent diffusion models (SD2.0, SDXL) and flow-matching models (SD3.5, FLUX). Our implementation is available at https://github.com/SonyResearch/SPA.

Spiking Neural Networks (SNNs) have emerged as an energy-efficient alternative to conventional neural networks, demonstrating strong performance in computer vision and robotics. More recently, SNNs have been applied to time series forecasting (TSF), with methods exploring spiking temporal backbones, spike-compatible positional encodings, Fourier-domain processing, and redesigned neuron dynamics. However, existing SNN forecasting approaches process variables independently, lacking explicit mechanisms for modeling inter-variable dependencies. This is a critical limitation in multivariate settings, where cross-variable correlations carry substantial predictive information. We propose Spiking Fourier Graph Operators (SpikF-GO), which addresses this gap by combining a hypervariate graph formulation in which every scalar observation becomes a graph node with spike-driven spectral processing. SpikF-GO introduces a Hard Concrete frequency gate for learnable sparse frequency selection and a Complex LIF gate that applies independent spiking neurons to real and imaginary Fourier components, preserving binary, event-driven computation throughout the spectral domain. We further present a variant incorporating Central Pattern Generator-based positional encodings for stronger long-range temporal modeling. Evaluated on eight benchmarks under a unified experimental protocol, SpikF-GO achieves the best average rank among all SNN methods and outperforms its ANN counterpart, FourierGNN, at reduced energy cost. SpikF-GO maintains competitive accuracy even at substantially smaller embedding dimensions, thereby achieving significant energy reductions. To our knowledge, this is among the first works to bring graph-based multivariate modeling into the spiking domain for TSF and the first to provide a unified comparison across SNN forecasting architectures under a common experimental protocol.

Deep Learning (DL) has shown remarkable results in solving inverse problems in various domains. In particular, the Tikhonet approach is very powerful to deconvolve optical astronomical images (Sureau et al. 2020). Yet, this approach only uses the ell_2 loss, which does not guarantee the preservation of physical information (e.g. flux and shape) of the object reconstructed in the image. In Nammour et al. (2021), a new loss function was proposed in the framework of sparse deconvolution, which better preserves the shape of galaxies and reduces the pixel error. In this paper, we extend Tikhonet to take into account this shape constraint, and apply our new DL method, called ShapeNet, to optical and radio-interferometry simulated data set. The originality of the paper relies on i) the shape constraint we use in the neural network framework, ii) the application of deep learning to radio-interferometry image deconvolution for the first time, and iii) the generation of a simulated radio data set that we make available for the community. A range of examples illustrates the results.

Non-linear activation functions are crucial in Convolutional Neural Networks. However, until now they have not been well described in the frequency domain. In this work, we study the spectral behavior of ReLU, a popular activation function. We use the ReLU's Taylor expansion to derive its frequency domain behavior. We demonstrate that ReLU introduces higher frequency oscillations in the signal and a constant DC component. Furthermore, we investigate the importance of this DC component, where we demonstrate that it helps the model extract meaningful features related to the input frequency content. We accompany our theoretical derivations with experiments and real-world examples. First, we numerically validate our frequency response model. Then we observe ReLU's spectral behavior on two example models and a real-world one. Finally, we experimentally investigate the role of the DC component introduced by ReLU in the CNN's representations. Our results indicate that the DC helps to converge to a weight configuration that is close to the initial random weights.

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

Personalized Federated Learning (PFL) enables a collection of agents to collaboratively learn individual models without sharing raw data. We propose a new PFL approach in which each agent optimizes a weighted combination of all agents' empirical risks, with the weights learned from data rather than specified a priori. The novelty of our method lies in formulating the estimation of these collaborative weights as a kernel mean embedding estimation problem with multiple data sources, leveraging tools from multi-task averaging to capture statistical relationships between agents. This perspective yields a fully adaptive procedure that requires no prior knowledge of data heterogeneity and can automatically transition between global and local learning regimes. By recasting the objective as a high-dimensional mean estimation problem, we derive finite-sample guarantees on local excess risks for a broad class of distributions, explicitly quantifying the statistical gains of collaboration. To address communication constraints inherent to federated settings, we also propose a practical implementation based on random Fourier features, which allows one to trade communication cost for statistical efficiency. Numerical experiments validate our theoretical results.

In this note we examine the autoregressive generalization of the FNet algorithm, in which self-attention layers from the standard Transformer architecture are substituted with a trivial sparse-uniformsampling procedure based on Fourier transforms. Using the Wikitext-103 benchmark, we demonstratethat FNetAR retains state-of-the-art performance (25.8 ppl) on the task of causal language modelingcompared to a Transformer-XL baseline (24.2 ppl) with only half the number self-attention layers,thus providing further evidence for the superfluity of deep neural networks with heavily compoundedattention mechanisms. The autoregressive Fourier transform could likely be used for parameterreduction on most Transformer-based time-series prediction models.

Diffusion models have achieved remarkable success in image synthesis, but the generated high-quality images raise concerns about potential malicious use. Existing detectors often struggle to capture discriminative clues across different models and settings, limiting their generalization to unseen diffusion models and robustness to various perturbations. To address this issue, we observe that diffusion-generated images exhibit progressively larger differences from natural real images across low- to high-frequency bands. Based on this insight, we propose a simple yet effective representation by enhancing the Frequency Forgery Clue (F^2C) across all frequency bands. Specifically, we introduce a frequency-selective function which serves as a weighted filter to the Fourier spectrum, suppressing less discriminative bands while enhancing more informative ones. This approach, grounded in a comprehensive analysis of frequency-based differences between natural real and diffusion-generated images, enables general detection of images from unseen diffusion models and provides robust resilience to various perturbations. Extensive experiments on various diffusion-generated image datasets demonstrate that our method outperforms state-of-the-art detectors with superior generalization and robustness.

Diffusion models have demonstrated compelling generation quality by optimizing the variational lower bound through a simple denoising score matching loss. In this paper, we provide theoretical evidence that the prevailing practice of using a constant loss weight strategy in diffusion models leads to biased estimation during the training phase. Simply optimizing the denoising network to predict Gaussian noise with constant weighting may hinder precise estimations of original images. To address the issue, we propose an elegant and effective weighting strategy grounded in the theoretically unbiased principle. Moreover, we conduct a comprehensive and systematic exploration to dissect the inherent bias problem deriving from constant weighting loss from the perspectives of its existence, impact and reasons. These analyses are expected to advance our understanding and demystify the inner workings of diffusion models. Through empirical evaluation, we demonstrate that our proposed debiased estimation method significantly enhances sample quality without the reliance on complex techniques, and exhibits improved efficiency compared to the baseline method both in training and sampling processes.

We study the problem of robustly learning Gaussian Single Index Models (SIMs) in the presence of heavy-tailed noise and a constant fraction of adversarially corrupted covariates and responses. Prior work on robust recovery has considered settings such as linear regression (Pensia et al., JASA 2024), strictly monotonic link functions (Awasthi et al., NeurIPS 2022), and phase retrieval (Buna and Rebeschini, AISTATS 2025). However, these techniques do not extend to generic asymmetric non-monotonic link functions such as GeLU and Swish, which arise naturally as scalar primitives in modern gated neural architectures. We close this gap by giving the first robust recovery algorithm with near-linear sample and time complexity for generic non-monotonic link functions, thereby establishing the first robust recovery guarantees for a broad family of nonlinear SIMs for which no guarantees were previously known. Our central contribution is a new structural understanding of the Gaussian squared-loss landscape under adversarial contamination. Crucially, we prove that for a broad class of nonlinear non-monotonic SIMs, a dimension-independent, constant-radius convex basin exists around the ground truth and is efficiently reachable via robust spectral initialization even under adversarial contamination. Prior works fail to establish both guarantees simultaneously, thereby either breaking down under adversarial contamination or failing to handle generic non-monotonic link functions. Together, these structural insights yield a principled warm start for robust gradient descent that provably converges to a final estimation error of O(σsqrtε) in O(nd) time with O(d) samples, where ε is the contamination fraction.

The trade-off between regret and computational cost is a fundamental problem for online kernel regression, and previous algorithms worked on the trade-off can not keep optimal regret bounds at a sublinear computational complexity. In this paper, we propose two new algorithms, AOGD-ALD and NONS-ALD, which can keep nearly optimal regret bounds at a sublinear computational complexity, and give sufficient conditions under which our algorithms work. Both algorithms dynamically maintain a group of nearly orthogonal basis used to approximate the kernel mapping, and keep nearly optimal regret bounds by controlling the approximate error. The number of basis depends on the approximate error and the decay rate of eigenvalues of the kernel matrix. If the eigenvalues decay exponentially, then AOGD-ALD and NONS-ALD separately achieves a regret of O(L(f)) and O(d_{eff}(mu)T) at a computational complexity in O(ln^2{T}). If the eigenvalues decay polynomially with degree pgeq 1, then our algorithms keep the same regret bounds at a computational complexity in o(T) in the case of p>4 and pgeq 10, respectively. L(f) is the cumulative losses of f and d_{eff}(mu) is the effective dimension of the problem. The two regret bounds are nearly optimal and are not comparable.

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

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.

Denoising diffusion probabilistic models (DDPMs) (Ho et al. 2020) have shown impressive results on image and waveform generation in continuous state spaces. Here, we introduce Discrete Denoising Diffusion Probabilistic Models (D3PMs), diffusion-like generative models for discrete data that generalize the multinomial diffusion model of Hoogeboom et al. 2021, by going beyond corruption processes with uniform transition probabilities. This includes corruption with transition matrices that mimic Gaussian kernels in continuous space, matrices based on nearest neighbors in embedding space, and matrices that introduce absorbing states. The third allows us to draw a connection between diffusion models and autoregressive and mask-based generative models. We show that the choice of transition matrix is an important design decision that leads to improved results in image and text domains. We also introduce a new loss function that combines the variational lower bound with an auxiliary cross entropy loss. For text, this model class achieves strong results on character-level text generation while scaling to large vocabularies on LM1B. On the image dataset CIFAR-10, our models approach the sample quality and exceed the log-likelihood of the continuous-space DDPM model.

Diffusion models are known to be vulnerable to outliers in training data. In this paper we study an alternative diffusion loss function, which can preserve the high quality of generated data like the original squared L_{2} loss while at the same time being robust to outliers. We propose to use pseudo-Huber loss function with a time-dependent parameter to allow for the trade-off between robustness on the most vulnerable early reverse-diffusion steps and fine details restoration on the final steps. We show that pseudo-Huber loss with the time-dependent parameter exhibits better performance on corrupted datasets in both image and audio domains. In addition, the loss function we propose can potentially help diffusion models to resist dataset corruption while not requiring data filtering or purification compared to conventional training algorithms.

Despite their theoretical advantages, spectral methods based on the graph Fourier transform (GFT) are seldom used in graph neural networks (GNNs) due to the cost of computing the eigenbasis and the lack of vertex-domain locality in the resulting representations. As a result, most GNNs rely on local approximations such as polynomial Laplacian filters or message passing, which limit their ability to model long-range dependencies. In this paper, we introduce an exact factorization of the GFT into operators acting on subgraphs, which are then combined via a sequence of Cauchy matrices. Building on this factorization, we propose a new class of spectral GNNs, termed L2G-Net (Local to Global Net). Unlike existing spectral methods, which are either fully global (when using the GFT) or local (when using polynomial filters), L2G-Net operates by processing the spectral representations of subgraphs and then combining them via structured matrices. Our algorithm avoids full eigendecompositions, exploiting graph topology to construct the factorization with quadratic complexity in the number of nodes, scaled by the maximum cut size between subgraphs. Experiments stressing long-range dependencies on large graphs show that L2G-Net scales to regimes out of reach for the standard GFT, and is competitive with state-of-the-art methods with orders of magnitude fewer learnable parameters.

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

Vision-Language Models (VLMs) typically replace the predefined image placeholder token (<image>) in textual instructions with visual features from an image encoder, forming the input to a backbone Large Language Model (LLM). However, the large number of vision tokens significantly increases the context length, leading to high computational overhead and inference latency. While previous efforts mitigate this by selecting only important visual features or leveraging learnable queries to reduce token count, they often compromise performance or introduce substantial extra costs. In response, we propose Fourier-VLM, a simple yet efficient method that compresses visual representations in the frequency domain. Our approach is motivated by the observation that vision features output from the vision encoder exhibit concentrated energy in low-frequency components. Leveraging this, we apply a low-pass filter to the vision features using a two-dimensional Discrete Cosine Transform (DCT). Notably, the DCT is efficiently computed via the Fast Fourier Transform (FFT) operator with a time complexity of O(nlog n), minimizing the extra computational cost while introducing no additional parameters. Extensive experiments across various image-based benchmarks demonstrate that Fourier-VLM achieves competitive performance with strong generalizability across both LLaVA and Qwen-VL architectures. Crucially, it reduce inference FLOPs by up to 83.8% and boots generation speed by 31.2% compared to LLaVA-v1.5, highlighting the superior efficiency and practicality.

Which functions can be used as activations in deep neural networks? This article explores families of functions based on orthonormal bases, including the Hermite polynomial basis and the Fourier trigonometric basis, as well as a basis resulting from the tropicalization of a polynomial basis. Our study shows that, through simple variance-preserving initialization and without additional clamping mechanisms, these activations can successfully be used to train deep models, such as GPT-2 for next-token prediction on OpenWebText and ConvNeXt for image classification on ImageNet. Our work addresses the issue of exploding and vanishing activations and gradients, particularly prevalent with polynomial activations, and opens the door for improving the efficiency of large-scale learning tasks. Furthermore, our approach provides insight into the structure of neural networks, revealing that networks with polynomial activations can be interpreted as multivariate polynomial mappings. Finally, using Hermite interpolation, we show that our activations can closely approximate classical ones in pre-trained models by matching both the function and its derivative, making them especially useful for fine-tuning tasks. These activations are available in the torchortho library, which can be accessed via: https://github.com/K-H-Ismail/torchortho.

Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as properness, which asserts that Bayes' rule is optimal. Recent works have sought to learn losses and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps R to [0,1] to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between R^{C-1} and the projected probability simplex Delta^{C-1} by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns proper canonical losses and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a t-test at 99% significance on all datasets with greater than 10 classes.

Harmonic retrieval techniques are the foundation of radio channel sounding, estimation and modeling. This paper introduces a Deep Learning approach for two-dimensional spectral estimation from frequency and time samples of a radio channel transfer function. Our work can estimate two-dimensional parameters from a signal containing an unknown number of paths. In contrast to existing deep learning-based methods, the signal parameters are not estimated via classification but instead in a quasi-grid-free manner. This alleviates the bias, spectral leakage, and ghost targets that grid-based approaches inherently produce. The proposed architecture also reliably estimates the number of spectral components in the measurement. Hence, the architecture jointly solves the model order selection problem and the parameter estimation task. Additionally, we propose a multi-channel windowing of the data during preprocessing, increasing the resulting estimator's robustness. We verify the performance compared to existing harmonic retrieval methods and also show how it can be integrated into an existing maximum likelihood estimator for efficient initialization of a gradient-based iteration.

Multi-Frequency Electrical Impedance Tomography (MF-EIT) is a non-invasive, low-cost modality that reconstructs electrical property distributions from boundary voltages. For stroke imaging, progress in 3D deep-learning reconstruction is limited by the lack of large-scale datasets with paired ground-truth (GT) volumes and by non-standardized pipelines for data generation, simulation, and evaluation. We introduce BREIT, a modular framework for 3D MF-EIT stroke reconstruction providing: (i) a neuroimaging-to-EIT pipeline that converts CT/MRI into frequency-dependent GT admittivity volumes; (ii) a self-contained Python 3D Complete Electrode Model (CEM) forward solver for simulating MF-EIT voltages; and (iii) a 3D D-bar implementation supporting non-uniform electrode layouts. Building on BREIT, we propose dFNO-bar, which integrates Fourier Neural Operators into D-bar by learning a mapping from scattering data t(ξ) to conductivity σ(x){=}Re{γ}. We evaluate dFNO-bar against D-bar, Deep D-bar, and Gauss--Newton reconstructions on UCLH-matched synthetic data, and observe higher brain SSIM with comparable CC across noise settings.

Dimensionality reduction in vector databases is pivotal for streamlining AI data management, enabling efficient storage, faster computation, and improved model performance. This paper explores the benefits of reducing vector database dimensions, with a focus on computational efficiency and overcoming the curse of dimensionality. We introduce a novel application of Fast Fourier Transform (FFT) to dimensionality reduction, a method previously underexploited in this context. By demonstrating its utility across various AI domains, including Retrieval-Augmented Generation (RAG) models and image processing, this FFT-based approach promises to improve data retrieval processes and enhance the efficiency and scalability of AI solutions. The incorporation of FFT may not only optimize operations in real-time processing and recommendation systems but also extend to advanced image processing techniques, where dimensionality reduction can significantly improve performance and analysis efficiency. This paper advocates for the broader adoption of FFT in vector database management, marking a significant stride towards addressing the challenges of data volume and complexity in AI research and applications. Unlike many existing approaches, we directly handle the embedding vectors produced by the model after processing a test input.

The Fisher information is a fundamental concept for characterizing the sensitivity of parameters in neural networks. However, leveraging the full observed Fisher information is too expensive for large models, so most methods rely on simple diagonal approximations. While efficient, this approach ignores parameter correlations, often resulting in reduced performance on downstream tasks. In this work, we mitigate these limitations and propose Generalized Fisher-Weighted SVD (GFWSVD), a post-training LLM compression technique that accounts for both diagonal and off-diagonal elements of the Fisher information matrix, providing a more accurate reflection of parameter importance. To make the method tractable, we introduce a scalable adaptation of the Kronecker-factored approximation algorithm for the observed Fisher information. We demonstrate the effectiveness of our method on LLM compression, showing improvements over existing compression baselines. For example, at a 20 compression rate on the MMLU benchmark, our method outperforms FWSVD, which is based on a diagonal approximation of the Fisher information, by 5 percent, SVD-LLM by 3 percent, and ASVD by 6 percent compression rate.

We propose a class of greedy algorithms for weighted sparse recovery by considering new loss function-based generalizations of Orthogonal Matching Pursuit (OMP). Given a (regularized) loss function, the proposed algorithms alternate the iterative construction of the signal support via greedy index selection and a signal update based on solving a local data-fitting problem restricted to the current support. We show that greedy selection rules associated with popular weighted sparsity-promoting loss functions admit explicitly computable and simple formulas. Specifically, we consider ell^0 - and ell^1 -based versions of the weighted LASSO (Least Absolute Shrinkage and Selection Operator), the Square-Root LASSO (SR-LASSO) and the Least Absolute Deviations LASSO (LAD-LASSO). Through numerical experiments on Gaussian compressive sensing and high-dimensional function approximation, we demonstrate the effectiveness of the proposed algorithms and empirically show that they inherit desirable characteristics from the corresponding loss functions, such as SR-LASSO's noise-blind optimal parameter tuning and LAD-LASSO's fault tolerance. In doing so, our study sheds new light on the connection between greedy sparse recovery and convex relaxation.

Implicit neural representations (INRs) have arisen as useful methods for representing signals on Euclidean domains. By parameterizing an image as a multilayer perceptron (MLP) on Euclidean space, INRs effectively represent signals in a way that couples spatial and spectral features of the signal that is not obvious in the usual discrete representation, paving the way for continuous signal processing and machine learning approaches that were not previously possible. Although INRs using sinusoidal activation functions have been studied in terms of Fourier theory, recent works have shown the advantage of using wavelets instead of sinusoids as activation functions, due to their ability to simultaneously localize in both frequency and space. In this work, we approach such INRs and demonstrate how they resolve high-frequency features of signals from coarse approximations done in the first layer of the MLP. This leads to multiple prescriptions for the design of INR architectures, including the use of complex wavelets, decoupling of low and band-pass approximations, and initialization schemes based on the singularities of the desired signal.

In recent years, diffusion based methods have emerged as a powerful paradigm for generative modeling. Although discrete diffusion for natural language processing has been explored to a lesser extent, it shows promise for tasks requiring iterative denoising of token based data. In standard approaches to text generation, transformers dominate, but their reliance on self attention often incurs high computational costs. This paper introduces a fully diffusion driven discrete text generation model built without any transformer or large convolution modules. Instead, the model integrates structured state space dynamics in the time domain with a novel Complex Fourier Multi Layer Perceptron module that operates in the frequency domain. The forward noising process randomly samples the vocabulary to replace tokens with a controlled probability, while the learned reverse model systematically reverts corrupted sequences toward their original states. By composing local state space updates with global Fourier based mixing, the approach effectively captures both short and long range dependencies.

Recent studies have explored autoregressive models for image generation, with promising results, and have combined diffusion models with autoregressive frameworks to optimize image generation via diffusion losses. In this study, we present a theoretical analysis of diffusion and autoregressive models with diffusion loss, highlighting the latter's advantages. We present a theoretical comparison of conditional diffusion and autoregressive diffusion with diffusion loss, demonstrating that patch denoising optimization in autoregressive models effectively mitigates condition errors and leads to a stable condition distribution. Our analysis also reveals that autoregressive condition generation refines the condition, causing the condition error influence to decay exponentially. In addition, we introduce a novel condition refinement approach based on Optimal Transport (OT) theory to address ``condition inconsistency''. We theoretically demonstrate that formulating condition refinement as a Wasserstein Gradient Flow ensures convergence toward the ideal condition distribution, effectively mitigating condition inconsistency. Experiments demonstrate the superiority of our method over diffusion and autoregressive models with diffusion loss methods.

We approach designing a state-space model for deep learning applications through its dual representation, the transfer function, and uncover a highly efficient sequence parallel inference algorithm that is state-free: unlike other proposed algorithms, state-free inference does not incur any significant memory or computational cost with an increase in state size. We achieve this using properties of the proposed frequency domain transfer function parametrization, which enables direct computation of its corresponding convolutional kernel's spectrum via a single Fast Fourier Transform. Our experimental results across multiple sequence lengths and state sizes illustrates, on average, a 35% training speed improvement over S4 layers -- parametrized in time-domain -- on the Long Range Arena benchmark, while delivering state-of-the-art downstream performances over other attention-free approaches. Moreover, we report improved perplexity in language modeling over a long convolutional Hyena baseline, by simply introducing our transfer function parametrization. Our code is available at https://github.com/ruke1ire/RTF.

Deep neural networks are known to exhibit a spectral learning bias, wherein low-frequency components are learned early in training, while high-frequency modes emerge more gradually in later epochs. However, when the target signal lacks low-frequency components and is dominated by broadband high frequencies, training suffers from a 'spectral bottleneck', and the model fails to reconstruct the entire signal, including the frequency components that lie within the network's representational capacity. We examine such a scenario in the context of implicit neural representations (INRs) with sinusoidal representation networks (SIRENs), focusing on the challenge of fitting high-frequency-dominant signals that are susceptible to spectral bottleneck. To effectively fit any target signal irrespective of it's frequency content, we propose a generalized target-aware 'weight perturbation scheme' (WINNER - weight initialization with noise for neural representations) for network initialization. The scheme perturbs uniformly initialized weights with Gaussian noise, where the noise scales are adaptively determined by the spectral centroid of the target signal. We show that the noise scales can provide control over the spectra of network activations and the eigenbasis of the empirical neural tangent kernel. This method not only addresses the spectral bottleneck but also yields faster convergence and with improved representation accuracy, outperforming state-of-the-art approaches in audio fitting and achieving notable gains in image fitting and denoising tasks. Beyond signal reconstruction, our approach opens new directions for adaptive weight initialization strategies in computer vision and scientific machine learning.

Physics-Informed Neural Networks (PINNs) have emerged as a promising deep learning framework for approximating numerical solutions to partial differential equations (PDEs). However, conventional PINNs, relying on multilayer perceptrons (MLP), neglect the crucial temporal dependencies inherent in practical physics systems and thus fail to propagate the initial condition constraints globally and accurately capture the true solutions under various scenarios. In this paper, we introduce a novel Transformer-based framework, termed PINNsFormer, designed to address this limitation. PINNsFormer can accurately approximate PDE solutions by utilizing multi-head attention mechanisms to capture temporal dependencies. PINNsFormer transforms point-wise inputs into pseudo sequences and replaces point-wise PINNs loss with a sequential loss. Additionally, it incorporates a novel activation function, Wavelet, which anticipates Fourier decomposition through deep neural networks. Empirical results demonstrate that PINNsFormer achieves superior generalization ability and accuracy across various scenarios, including PINNs failure modes and high-dimensional PDEs. Moreover, PINNsFormer offers flexibility in integrating existing learning schemes for PINNs, further enhancing its performance.

Pre-trained large language models (LLMs) exhibit impressive mathematical reasoning capabilities, yet how they compute basic arithmetic, such as addition, remains unclear. This paper shows that pre-trained LLMs add numbers using Fourier features -- dimensions in the hidden state that represent numbers via a set of features sparse in the frequency domain. Within the model, MLP and attention layers use Fourier features in complementary ways: MLP layers primarily approximate the magnitude of the answer using low-frequency features, while attention layers primarily perform modular addition (e.g., computing whether the answer is even or odd) using high-frequency features. Pre-training is crucial for this mechanism: models trained from scratch to add numbers only exploit low-frequency features, leading to lower accuracy. Introducing pre-trained token embeddings to a randomly initialized model rescues its performance. Overall, our analysis demonstrates that appropriate pre-trained representations (e.g., Fourier features) can unlock the ability of Transformers to learn precise mechanisms for algorithmic tasks.

The population loss of trained deep neural networks often follows precise power-law scaling relations with either the size of the training dataset or the number of parameters in the network. We propose a theory that explains the origins of and connects these scaling laws. We identify variance-limited and resolution-limited scaling behavior for both dataset and model size, for a total of four scaling regimes. The variance-limited scaling follows simply from the existence of a well-behaved infinite data or infinite width limit, while the resolution-limited regime can be explained by positing that models are effectively resolving a smooth data manifold. In the large width limit, this can be equivalently obtained from the spectrum of certain kernels, and we present evidence that large width and large dataset resolution-limited scaling exponents are related by a duality. We exhibit all four scaling regimes in the controlled setting of large random feature and pretrained models and test the predictions empirically on a range of standard architectures and datasets. We also observe several empirical relationships between datasets and scaling exponents under modifications of task and architecture aspect ratio. Our work provides a taxonomy for classifying different scaling regimes, underscores that there can be different mechanisms driving improvements in loss, and lends insight into the microscopic origins of and relationships between scaling exponents.

We present a comprehensive analysis of how two-layer neural networks learn features to solve the modular addition task. Our work provides a full mechanistic interpretation of the learned model and a theoretical explanation of its training dynamics. While prior work has identified that individual neurons learn single-frequency Fourier features and phase alignment, it does not fully explain how these features combine into a global solution. We bridge this gap by formalizing a diversification condition that emerges during training when overparametrized, consisting of two parts: phase symmetry and frequency diversification. We prove that these properties allow the network to collectively approximate a flawed indicator function on the correct logic for the modular addition task. While individual neurons produce noisy signals, the phase symmetry enables a majority-voting scheme that cancels out noise, allowing the network to robustly identify the correct sum. Furthermore, we explain the emergence of these features under random initialization via a lottery ticket mechanism. Our gradient flow analysis proves that frequencies compete within each neuron, with the "winner" determined by its initial spectral magnitude and phase alignment. From a technical standpoint, we provide a rigorous characterization of the layer-wise phase coupling dynamics and formalize the competitive landscape using the ODE comparison lemma. Finally, we use these insights to demystify grokking, characterizing it as a three-stage process involving memorization followed by two generalization phases, driven by the competition between loss minimization and weight decay.