Daily Papers

Motivated by the paradigm of reservoir computing, we consider randomly initialized controlled ResNets defined as Euler-discretizations of neural controlled differential equations (Neural CDEs), a unified architecture which enconpasses both RNNs and ResNets. We show that in the infinite-width-depth limit and under proper scaling, these architectures converge weakly to Gaussian processes indexed on some spaces of continuous paths and with kernels satisfying certain partial differential equations (PDEs) varying according to the choice of activation function, extending the results of Hayou (2022); Hayou & Yang (2023) to the controlled and homogeneous case. In the special, homogeneous, case where the activation is the identity, we show that the equation reduces to a linear PDE and the limiting kernel agrees with the signature kernel of Salvi et al. (2021a). We name this new family of limiting kernels neural signature kernels. Finally, we show that in the infinite-depth regime, finite-width controlled ResNets converge in distribution to Neural CDEs with random vector fields which, depending on whether the weights are shared across layers, are either time-independent and Gaussian or behave like a matrix-valued Brownian motion.

We introduce a mathematically rigorous framework based on rough path theory to model stochastic spiking neural networks (SSNNs) as stochastic differential equations with event discontinuities (Event SDEs) and driven by c\`adl\`ag rough paths. Our formalism is general enough to allow for potential jumps to be present both in the solution trajectories as well as in the driving noise. We then identify a set of sufficient conditions ensuring the existence of pathwise gradients of solution trajectories and event times with respect to the network's parameters and show how these gradients satisfy a recursive relation. Furthermore, we introduce a general-purpose loss function defined by means of a new class of signature kernels indexed on c\`adl\`ag rough paths and use it to train SSNNs as generative models. We provide an end-to-end autodifferentiable solver for Event SDEs and make its implementation available as part of the diffrax library. Our framework is, to our knowledge, the first enabling gradient-based training of SSNNs with noise affecting both the spike timing and the network's dynamics.

Autonomous AI agents now transact at production scale -- 69,000 bots executing 165 million transactions across 50 million USDC in cumulative volume on a single marketplace -- without any shared trust layer between participants. Regulatory frameworks (Singapore IMDA, NIST CAISI, EU AI Act) and major AI laboratories (Anthropic, Google) have independently converged on the same structural requirement: an open, portable, cryptographically verifiable trust infrastructure for autonomous agents that no single vendor can deliver alone. This paper presents MolTrust, a production-deployed implementation of such an infrastructure built on W3C Verifiable Credentials 2.0 and Decentralized Identifiers v1.0, with on-chain anchoring on Base Layer 2. The system architecture is organized around four primitives (identity, authorization, behavioral record, portability), a five-party accountability chain, and the Agent Authorization Envelope (AAE) -- a machine-evaluable authorization structure enforced at three layers: cryptographic signatures, API-level credential lifecycle management, and kernel-level syscall monitoring via Falco eBPF integration. The paper documents three distinguishing capabilities: kernel-layer AAE enforcement below the agent process boundary; cross-protocol interoperability through five reproducible test vectors verified against independent implementations; and layered Sybil resistance combining dual-signature interaction proofs, cross-vertical endorsement diversity gating, and principal-DID-linked violation persistence. The reference implementation has been operational since March 2026 across eight credential verticals. Empirical validation at adversarial scale is pending. The contribution is deployment-first evidence that the trust infrastructure regulators and industry have converged on is implementable today using W3C-standardized primitives.

The use of kernel functions is a common technique to extract important features from data sets. A quantum computer can be used to estimate kernel entries as transition amplitudes of unitary circuits. Quantum kernels exist that, subject to computational hardness assumptions, cannot be computed classically. It is an important challenge to find quantum kernels that provide an advantage in the classification of real-world data. We introduce a class of quantum kernels that can be used for data with a group structure. The kernel is defined in terms of a unitary representation of the group and a fiducial state that can be optimized using a technique called kernel alignment. We apply this method to a learning problem on a coset-space that embodies the structure of many essential learning problems on groups. We implement the learning algorithm with 27 qubits on a superconducting processor.

We discuss how to define a kernel for Signal Temporal Logic (STL) formulae. Such a kernel allows us to embed the space of formulae into a Hilbert space, and opens up the use of kernel-based machine learning algorithms in the context of STL. We show an application of this idea to a regression problem in formula space for probabilistic models.

We propose a novel random walk-based algorithm for unbiased estimation of arbitrary functions of a weighted adjacency matrix, coined universal graph random features (u-GRFs). This includes many of the most popular examples of kernels defined on the nodes of a graph. Our algorithm enjoys subquadratic time complexity with respect to the number of nodes, overcoming the notoriously prohibitive cubic scaling of exact graph kernel evaluation. It can also be trivially distributed across machines, permitting learning on much larger networks. At the heart of the algorithm is a modulation function which upweights or downweights the contribution from different random walks depending on their lengths. We show that by parameterising it with a neural network we can obtain u-GRFs that give higher-quality kernel estimates or perform efficient, scalable kernel learning. We provide robust theoretical analysis and support our findings with experiments including pointwise estimation of fixed graph kernels, solving non-homogeneous graph ordinary differential equations, node clustering and kernel regression on triangular meshes.

The kernel thinning (KT) algorithm of Dwivedi and Mackey (2021) compresses a probability distribution more effectively than independent sampling by targeting a reproducing kernel Hilbert space (RKHS) and leveraging a less smooth square-root kernel. Here we provide four improvements. First, we show that KT applied directly to the target RKHS yields tighter, dimension-free guarantees for any kernel, any distribution, and any fixed function in the RKHS. Second, we show that, for analytic kernels like Gaussian, inverse multiquadric, and sinc, target KT admits maximum mean discrepancy (MMD) guarantees comparable to or better than those of square-root KT without making explicit use of a square-root kernel. Third, we prove that KT with a fractional power kernel yields better-than-Monte-Carlo MMD guarantees for non-smooth kernels, like Laplace and Mat\'ern, that do not have square-roots. Fourth, we establish that KT applied to a sum of the target and power kernels (a procedure we call KT+) simultaneously inherits the improved MMD guarantees of power KT and the tighter individual function guarantees of target KT. In our experiments with target KT and KT+, we witness significant improvements in integration error even in 100 dimensions and when compressing challenging differential equation posteriors.

Geometric Attention (GA) specifies an attention layer by four independent inputs: a finite carrier (what indices are addressable), an evidence-kernel rule (how masked proto-scores and a link induce nonnegative weights), a probe family (which observables are treated as admissible), and an anchor/update rule (which representative kernel is selected and how it is applied). Probe families induce an operational equivalence relation on kernels and therefore a gauge; anchors select representatives relative to that probe. Under a scalar relational-work representation and a multiplicative compositionality law for evidence, the admissible link family is exponential, yielding Gibbs weights; with row anchoring this includes the softmax kernel family as a subregime. After quotienting unary row/column score fields, the remaining interaction component admits a canonical rank-r normal form (Eckart-Young/SVD); dot-product score charts implement the corresponding low-rank interaction regime. Fixing the carrier and extensionalizing the update yields the standard fixed-token Transformer attention operator; allowing carrier updates yields adaptive-carrier and staged-depth regimes. The operator language also supports multihead/mixed kernels, plan-based anchors (e.g., entropic OT/Sinkhorn), and unary operators (e.g., FFN-style fields) as explicit regime choices. This separates invariant structure from modeling choice, enabling principled comparison and extension of attention mechanisms, and attention-based architectures.

A recent trend in explainable AI research has focused on surrogate modeling, where neural networks are approximated as simpler ML algorithms such as kernel machines. A second trend has been to utilize kernel functions in various explain-by-example or data attribution tasks. In this work, we combine these two trends to analyze approximate empirical neural tangent kernels (eNTK) for data attribution. Approximation is critical for eNTK analysis due to the high computational cost to compute the eNTK. We define new approximate eNTK and perform novel analysis on how well the resulting kernel machine surrogate models correlate with the underlying neural network. We introduce two new random projection variants of approximate eNTK which allow users to tune the time and memory complexity of their calculation. We conclude that kernel machines using approximate neural tangent kernel as the kernel function are effective surrogate models, with the introduced trace NTK the most consistent performer. Open source software allowing users to efficiently calculate kernel functions in the PyTorch framework is available (https://github.com/pnnl/projection\_ntk).

At initialization, artificial neural networks (ANNs) are equivalent to Gaussian processes in the infinite-width limit, thus connecting them to kernel methods. We prove that the evolution of an ANN during training can also be described by a kernel: during gradient descent on the parameters of an ANN, the network function f_theta (which maps input vectors to output vectors) follows the kernel gradient of the functional cost (which is convex, in contrast to the parameter cost) w.r.t. a new kernel: the Neural Tangent Kernel (NTK). This kernel is central to describe the generalization features of ANNs. While the NTK is random at initialization and varies during training, in the infinite-width limit it converges to an explicit limiting kernel and it stays constant during training. This makes it possible to study the training of ANNs in function space instead of parameter space. Convergence of the training can then be related to the positive-definiteness of the limiting NTK. We prove the positive-definiteness of the limiting NTK when the data is supported on the sphere and the non-linearity is non-polynomial. We then focus on the setting of least-squares regression and show that in the infinite-width limit, the network function f_theta follows a linear differential equation during training. The convergence is fastest along the largest kernel principal components of the input data with respect to the NTK, hence suggesting a theoretical motivation for early stopping. Finally we study the NTK numerically, observe its behavior for wide networks, and compare it to the infinite-width limit.

In this work we introduce KERNELIZED TRANSFORMER, a generic, scalable, data driven framework for learning the kernel function in Transformers. Our framework approximates the Transformer kernel as a dot product between spectral feature maps and learns the kernel by learning the spectral distribution. This not only helps in learning a generic kernel end-to-end, but also reduces the time and space complexity of Transformers from quadratic to linear. We show that KERNELIZED TRANSFORMERS achieve performance comparable to existing efficient Transformer architectures, both in terms of accuracy as well as computational efficiency. Our study also demonstrates that the choice of the kernel has a substantial impact on performance, and kernel learning variants are competitive alternatives to fixed kernel Transformers, both in long as well as short sequence tasks.

Motivated by the problem of fast processing of attention matrices, we study fast algorithms for computing matrix-vector products for asymmetric Gaussian Kernel matrices Kin R^{ntimes n}. K's columns are indexed by a set of n keys k_1,k_2ldots, k_nin R^d, rows by a set of n queries q_1,q_2,ldots,q_nin R^d , and its i,j entry is K_{ij} = e^{-|q_i-k_j|_2^2/2sigma^2} for some bandwidth parameter sigma>0. Given a vector xin R^n and error parameter epsilon>0, our task is to output a yin R^n such that |Kx-y|_2leq epsilon |x|_2 in time subquadratic in n and linear in d. Our algorithms rely on the following modelling assumption about the matrices K: the sum of the entries of K scales linearly in n, as opposed to worst case quadratic growth. We validate this assumption experimentally, for Gaussian kernel matrices encountered in various settings such as fast attention computation in LLMs. We obtain the first subquadratic-time algorithm that works under this assumption, for unrestricted vectors.

Training Large Language Models (LLMs) efficiently at scale presents a formidable challenge, driven by their ever-increasing computational demands and the need for enhanced performance. In this work, we introduce Liger-Kernel, an open-sourced set of Triton kernels developed specifically for LLM training. With kernel optimization techniques like kernel operation fusing and input chunking, our kernels achieve on average a 20% increase in training throughput and a 60% reduction in GPU memory usage for popular LLMs compared to HuggingFace implementations. In addition, Liger-Kernel is designed with modularity, accessibility, and adaptability in mind, catering to both casual and expert users. Comprehensive benchmarks and integration tests are built in to ensure compatibility, performance, correctness, and convergence across diverse computing environments and model architectures. The source code is available under a permissive license at: github.com/linkedin/Liger-Kernel.

Unlabeled data is a key component of modern machine learning. In general, the role of unlabeled data is to impose a form of smoothness, usually from the similarity information encoded in a base kernel, such as the epsilon-neighbor kernel or the adjacency matrix of a graph. This work revisits the classical idea of spectrally transformed kernel regression (STKR), and provides a new class of general and scalable STKR estimators able to leverage unlabeled data. Intuitively, via spectral transformation, STKR exploits the data distribution for which unlabeled data can provide additional information. First, we show that STKR is a principled and general approach, by characterizing a universal type of "target smoothness", and proving that any sufficiently smooth function can be learned by STKR. Second, we provide scalable STKR implementations for the inductive setting and a general transformation function, while prior work is mostly limited to the transductive setting. Third, we derive statistical guarantees for two scenarios: STKR with a known polynomial transformation, and STKR with kernel PCA when the transformation is unknown. Overall, we believe that this work helps deepen our understanding of how to work with unlabeled data, and its generality makes it easier to inspire new methods.

Privacy-utility tradeoff remains as one of the fundamental issues of differentially private machine learning. This paper introduces a geometrically inspired kernel-based approach to mitigate the accuracy-loss issue in classification. In this approach, a representation of the affine hull of given data points is learned in Reproducing Kernel Hilbert Spaces (RKHS). This leads to a novel distance measure that hides privacy-sensitive information about individual data points and improves the privacy-utility tradeoff via significantly reducing the risk of membership inference attacks. The effectiveness of the approach is demonstrated through experiments on MNIST dataset, Freiburg groceries dataset, and a real biomedical dataset. It is verified that the approach remains computationally practical. The application of the approach to federated learning is considered and it is observed that the accuracy-loss due to data being distributed is either marginal or not significantly high.

Optimizing GPU kernels presents a significantly greater challenge for large language models (LLMs) than standard code generation tasks, as it requires understanding hardware architecture, parallel optimization strategies, and performance profiling outputs. Most existing LLM-based approaches to kernel generation rely on simple prompting and feedback loops, incorporating hardware awareness only indirectly through profiling feedback. We introduce KernelFoundry, an evolutionary framework that efficiently explores the GPU kernel design space through three key mechanisms: (1) MAP-Elites quality-diversity search with kernel-specific behavioral dimensions to sustain exploration across diverse optimization strategies; (2) meta-prompt evolution, which co-evolves prompts with kernels to uncover task-specific optimization strategies, and (3) template-based parameter optimization to tune kernels to inputs and hardware. We evaluate this framework on KernelBench, robust-kbench, and custom tasks, generating SYCL kernels as a cross-platform GPU programming model and CUDA kernels for comparison to prior work. Our approach consistently outperforms the baseline methods, achieving an average speedup of 2.3x on KernelBench for SYCL. Moreover, KernelFoundry is implemented as a distributed framework with remote access to diverse hardware, enabling rapid benchmarking and featuring a flexible user input layer that supports kernel generation for a wide range of real-world use cases beyond benchmarking.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

GPU kernel generation by LLMs has recently experienced rapid development, leveraging test-time scaling and reinforcement learning techniques. However, a key challenge for kernel generation is the scarcity of high-quality data, as most high-quality kernels are proprietary and not open-source. This challenge prevents us from leveraging supervised fine-tuning to align LLMs to the kernel generation task. To address this challenge, we develop a pipeline that generates and curates high-quality CUDA kernels with reasoning traces, motivated by a critical observation that concise yet informative reasoning traces result in robust generation of high-performance kernels. Using this pipeline, we construct our dataset ConCuR and introduce our model KernelCoder, which is the first model trained on a curated dataset consisting of PyTorch, reasoning, and CUDA kernel pairs, to our knowledge. In the KernelBench setup, our model achieves significant improvements over the existing top-performing model, QwQ-32B, and outperforms all open-source models fine-tuned for kernel generation, as well as frontier models such as DeepSeek-V3.1-Think and Claude-4-sonnet. Finally, we show that the average reasoning length can serve as a metric to assess the difficulty of kernel generation tasks. The observations, metrics, and our data collection and curation pipeline can help obtain better data in the kernel generation task in the future.

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.

Efficient GPU kernels are crucial for building performant machine learning architectures, but writing them is a time-consuming challenge that requires significant expertise; therefore, we explore using language models (LMs) to automate kernel generation. We introduce KernelBench, an open-source framework for evaluating LMs' ability to write fast and correct kernels on a suite of 250 carefully selected PyTorch ML workloads. KernelBench represents a real-world engineering environment and making progress on the introduced benchmark directly translates to faster practical kernels. We introduce a new evaluation metric fast_p, which measures the percentage of generated kernels that are functionally correct and offer a speedup greater than an adjustable threshold p over baseline. Our experiments across various state-of-the-art models and test-time methods show that frontier reasoning models perform the best out of the box but still fall short overall, matching the PyTorch baseline in less than 20% of the cases. While we show that results can improve by leveraging execution and profiling feedback during iterative refinement, KernelBench remains a challenging benchmark, with its difficulty increasing as we raise speedup threshold p.

LLM-based Triton kernel generation has attracted significant interest, yet a fundamental empirical question remains unanswered: where does this capability break down, and why? We present KernelBench-X, a benchmark designed to answer this question through category-aware evaluation of correctness and hardware efficiency across 176 tasks in 15 categories. Our systematic comparison of five representative methods yields three main findings. First, task structure determines correctness more than method design. Category explains nearly three times more variance in semantic correctness than method (9.4% vs 3.3% explained deviance), and 72% of Fusion tasks fail across all five methods while Math tasks are solved consistently. Second, iterative refinement improves correctness, but not performance. Across GEAK iterations, compile rate rises from 52.3% to 68.8% while average speedup declines from 1.58times to 1.44times; newly rescued kernels consistently underperform persistently correct ones (1.16times vs 1.58times speedup in round~0to1). Third, correctness does not imply efficiency. 46.6% of correct kernels are slower than the PyTorch eager baseline, and cross-hardware speedup variance reaches 21.4times. Besides, quantization remains completely unsolved (0/30 successes) despite non-trivial compilation rates, revealing systematic misunderstanding of numerical computation contracts rather than surface-level syntax errors. These findings suggest that future progress depends on handling global coordination, explicitly modeling numerical precision, and incorporating hardware efficiency into generation. The code is available at https://github.com/BonnieW05/KernelBenchX

Empirical neural tangent kernels (eNTKs) can provide a good understanding of a given network's representation: they are often far less expensive to compute and applicable more broadly than infinite width NTKs. For networks with O output units (e.g. an O-class classifier), however, the eNTK on N inputs is of size NO times NO, taking O((NO)^2) memory and up to O((NO)^3) computation. Most existing applications have therefore used one of a handful of approximations yielding N times N kernel matrices, saving orders of magnitude of computation, but with limited to no justification. We prove that one such approximation, which we call "sum of logits", converges to the true eNTK at initialization for any network with a wide final "readout" layer. Our experiments demonstrate the quality of this approximation for various uses across a range of settings.

The neural tangent kernel is a kernel function defined over the parameter distribution of an infinite width neural network. Despite the impracticality of this limit, the neural tangent kernel has allowed for a more direct study of neural networks and a gaze through the veil of their black box. More recently, it has been shown theoretically that the Laplace kernel and neural tangent kernel share the same reproducing kernel Hilbert space in the space of S^{d-1} alluding to their equivalence. In this work, we analyze the practical equivalence of the two kernels. We first do so by matching the kernels exactly and then by matching posteriors of a Gaussian process. Moreover, we analyze the kernels in R^d and experiment with them in the task of regression.

Many methods in differentially private model training rely on computing the similarity between a query point (such as public or synthetic data) and private data. We abstract out this common subroutine and study the following fundamental algorithmic problem: Given a similarity function f and a large high-dimensional private dataset X subset R^d, output a differentially private (DP) data structure which approximates sum_{x in X} f(x,y) for any query y. We consider the cases where f is a kernel function, such as f(x,y) = e^{-|x-y|_2^2/sigma^2} (also known as DP kernel density estimation), or a distance function such as f(x,y) = |x-y|_2, among others. Our theoretical results improve upon prior work and give better privacy-utility trade-offs as well as faster query times for a wide range of kernels and distance functions. The unifying approach behind our results is leveraging `low-dimensional structures' present in the specific functions f that we study, using tools such as provable dimensionality reduction, approximation theory, and one-dimensional decomposition of the functions. Our algorithms empirically exhibit improved query times and accuracy over prior state of the art. We also present an application to DP classification. Our experiments demonstrate that the simple methodology of classifying based on average similarity is orders of magnitude faster than prior DP-SGD based approaches for comparable accuracy.

We introduce Performers, Transformer architectures which can estimate regular (softmax) full-rank-attention Transformers with provable accuracy, but using only linear (as opposed to quadratic) space and time complexity, without relying on any priors such as sparsity or low-rankness. To approximate softmax attention-kernels, Performers use a novel Fast Attention Via positive Orthogonal Random features approach (FAVOR+), which may be of independent interest for scalable kernel methods. FAVOR+ can be also used to efficiently model kernelizable attention mechanisms beyond softmax. This representational power is crucial to accurately compare softmax with other kernels for the first time on large-scale tasks, beyond the reach of regular Transformers, and investigate optimal attention-kernels. Performers are linear architectures fully compatible with regular Transformers and with strong theoretical guarantees: unbiased or nearly-unbiased estimation of the attention matrix, uniform convergence and low estimation variance. We tested Performers on a rich set of tasks stretching from pixel-prediction through text models to protein sequence modeling. We demonstrate competitive results with other examined efficient sparse and dense attention methods, showcasing effectiveness of the novel attention-learning paradigm leveraged by Performers.

Recent advances in large language models (LLMs) demonstrate their effectiveness in scaling test-time compute for software engineering tasks. However, these approaches often focus on high-level solutions, with limited attention to optimizing low-level CUDA kernel implementations. Additionally, existing kernel generation benchmarks suffer from exploitable loopholes and insufficient diversity in testing conditions, hindering true generalization assessment. To address these limitations, we introduce robust-kbench, a new benchmark for rigorous evaluation of kernel performance and correctness across varied scenarios. Furthermore, we present a comprehensive agentic framework that automates CUDA kernel discovery, verification, and optimization. This pipeline enables frontier LLMs to translate torch code to CUDA kernels and iteratively improve their runtime within our robust evaluation setting. Our sequential workflow first translates PyTorch code into equivalent CUDA kernels. It then optimizes their runtime using a novel evolutionary meta-generation procedure tailored to the CUDA ecosystem, guided by LLM-based verifiers for correctness and efficient filtering. Evaluated on robust-kbench, our approach produces CUDA kernels outperforming torch implementations for practical applications, including forward and backward passes. It can fuse operations and deploy various runtime optimization strategies. The verifier workflow accurately classifies incorrect kernels, enhancing hardware verification efficiency.

A neural architecture with randomly initialized weights, in the infinite width limit, is equivalent to a Gaussian Random Field whose covariance function is the so-called Neural Network Gaussian Process kernel (NNGP). We prove that a reproducing kernel Hilbert space (RKHS) defined by the NNGP contains only functions that can be approximated by the architecture. To achieve a certain approximation error the required number of neurons in each layer is defined by the RKHS norm of the target function. Moreover, the approximation can be constructed from a supervised dataset by a random multi-layer representation of an input vector, together with training of the last layer's weights. For a 2-layer NN and a domain equal to an n-1-dimensional sphere in {mathbb R}^n, we compare the number of neurons required by Barron's theorem and by the multi-layer features construction. We show that if eigenvalues of the integral operator of the NNGP decay slower than k^{-n-2{3}} where k is an order of an eigenvalue, then our theorem guarantees a more succinct neural network approximation than Barron's theorem. We also make some computational experiments to verify our theoretical findings. Our experiments show that realistic neural networks easily learn target functions even when both theorems do not give any guarantees.

Large-scale kernel ridge regression (KRR) is limited by the need to store a large kernel matrix K_t. To avoid storing the entire matrix K_t, Nystrom methods subsample a subset of columns of the kernel matrix, and efficiently find an approximate KRR solution on the reconstructed matrix. The chosen subsampling distribution in turn affects the statistical and computational tradeoffs. For KRR problems, recent works show that a sampling distribution proportional to the ridge leverage scores (RLSs) provides strong reconstruction guarantees for the approximation. While exact RLSs are as difficult to compute as a KRR solution, we may be able to approximate them well enough. In this paper, we study KRR problems in a sequential setting and introduce the INK-ESTIMATE algorithm, that incrementally computes the RLSs estimates. INK-ESTIMATE maintains a small sketch of K_t, that at each step is used to compute an intermediate estimate of the RLSs. First, our sketch update does not require access to previously seen columns, and therefore a single pass over the kernel matrix is sufficient. Second, the algorithm requires a fixed, small space budget to run dependent only on the effective dimension of the kernel matrix. Finally, our sketch provides strong approximation guarantees on the distance between the true kernel matrix and its approximation, and on the statistical risk of the approximate KRR solution at any time, because all our guarantees hold at any intermediate step.

Most kernel-based methods, such as kernel or Gaussian process regression, kernel PCA, ICA, or k-means clustering, do not scale to large datasets, because constructing and storing the kernel matrix K_n requires at least O(n^2) time and space for n samples. Recent works show that sampling points with replacement according to their ridge leverage scores (RLS) generates small dictionaries of relevant points with strong spectral approximation guarantees for K_n. The drawback of RLS-based methods is that computing exact RLS requires constructing and storing the whole kernel matrix. In this paper, we introduce SQUEAK, a new algorithm for kernel approximation based on RLS sampling that sequentially processes the dataset, storing a dictionary which creates accurate kernel matrix approximations with a number of points that only depends on the effective dimension d_{eff}(γ) of the dataset. Moreover since all the RLS estimations are efficiently performed using only the small dictionary, SQUEAK is the first RLS sampling algorithm that never constructs the whole matrix K_n, runs in linear time mathcal{O}(nd_{eff}(γ)^3) w.r.t. n, and requires only a single pass over the dataset. We also propose a parallel and distributed version of SQUEAK that linearly scales across multiple machines, achieving similar accuracy in as little as mathcal{O}(log(n)d_{eff}(γ)^3) time.

When designing Convolutional Neural Networks (CNNs), one must select the size\break of the convolutional kernels before training. Recent works show CNNs benefit from different kernel sizes at different layers, but exploring all possible combinations is unfeasible in practice. A more efficient approach is to learn the kernel size during training. However, existing works that learn the kernel size have a limited bandwidth. These approaches scale kernels by dilation, and thus the detail they can describe is limited. In this work, we propose FlexConv, a novel convolutional operation with which high bandwidth convolutional kernels of learnable kernel size can be learned at a fixed parameter cost. FlexNets model long-term dependencies without the use of pooling, achieve state-of-the-art performance on several sequential datasets, outperform recent works with learned kernel sizes, and are competitive with much deeper ResNets on image benchmark datasets. Additionally, FlexNets can be deployed at higher resolutions than those seen during training. To avoid aliasing, we propose a novel kernel parameterization with which the frequency of the kernels can be analytically controlled. Our novel kernel parameterization shows higher descriptive power and faster convergence speed than existing parameterizations. This leads to important improvements in classification accuracy.

We present Metal-Sci, a 10-task benchmark of scientific Apple Silicon Metal compute kernels spanning six optimization regimes (stencils, all-pairs in n-body problems, multi-field Boltzmann, neighbor-list molecular dynamics, multi-kernel PDE, FFT). Each task ships a CPU reference, a roofline-anchored fitness function, and a held-out generalization size. We pair the benchmark with a lightweight harness for automatic kernel search that runtime-compiles each candidate, scores it against the roofline across multiple sizes, and feeds structured compile and per-size correctness diagnostics back to a frozen LLM driving a (1{+}1) evolutionary loop. We report matched single-model sweeps of Claude Opus 4.7, Gemini 3.1 Pro, and GPT 5.5 on M1 Pro: in-distribution self-speedups span 1.00times to 10.7times. Beyond raw speedup, our central methodological claim is structural: the held-out gate scoring function Φ_T (evaluated once at end-of-run on a configuration the agent never sees during search) functions as a cheap mechanical oversight primitive on this automatic search loop, catching e.g. an Opus template <uint D> HMC win that returns wrong samples at unseen dimensions, and a GPT FFT3D best that wins in-distribution at 2.95times speedup but collapses to 0.23times on a 256^3 held-out cube, a silent regression that the in-distribution score alone cannot see. Code at https://github.com/vicgalle/metal-sci-kernels

Making deep learning recommendation model (DLRM) training and inference fast and efficient is important. However, this presents three key system challenges - model architecture diversity, kernel primitive diversity, and hardware generation and architecture heterogeneity. This paper presents KernelEvolve-an agentic kernel coding framework-to tackle heterogeneity at-scale for DLRM. KernelEvolve is designed to take kernel specifications as input and automate the process of kernel generation and optimization for recommendation model across heterogeneous hardware architectures. KernelEvolve does so by operating at multiple programming abstractions, from Triton and CuTe DSL to low-level hardware agnostic languages, spanning the full hardware-software optimization stack. The kernel optimization process is described as graph-based search with selection policy, universal operator, fitness function, and termination rule, dynamically adapts to runtime execution context through retrieval-augmented prompt synthesis. We designed, implemented, and deployed KernelEvolve to optimize a wide variety of production recommendation models across generations of NVIDIA and AMD GPUs, as well as Meta's AI accelerators. We validate KernelEvolve on the publicly-available KernelBench suite, achieving 100% pass rate on all 250 problems across three difficulty levels, and 160 PyTorch ATen operators across three heterogeneous hardware platforms, demonstrating 100% correctness. KernelEvolve reduces development time from weeks to hours and achieves substantial performance improvements over PyTorch baselines across diverse production use cases and for heterogeneous AI systems at-scale. Beyond performance efficiency improvements, KernelEvolve significantly mitigates the programmability barrier for new AI hardware by enabling automated kernel generation for in-house developed AI hardware.

Standard infinite-width limits of neural networks sacrifice the ability for intermediate layers to learn representations from data. Recent work (A theory of representation learning gives a deep generalisation of kernel methods, Yang et al. 2023) modified the Neural Network Gaussian Process (NNGP) limit of Bayesian neural networks so that representation learning is retained. Furthermore, they found that applying this modified limit to a deep Gaussian process gives a practical learning algorithm which they dubbed the deep kernel machine (DKM). However, they only considered the simplest possible setting: regression in small, fully connected networks with e.g. 10 input features. Here, we introduce convolutional deep kernel machines. This required us to develop a novel inter-domain inducing point approximation, as well as introducing and experimentally assessing a number of techniques not previously seen in DKMs, including analogues to batch normalisation, different likelihoods, and different types of top-layer. The resulting model trains in roughly 77 GPU hours, achieving around 99% test accuracy on MNIST, 72% on CIFAR-100, and 92.7% on CIFAR-10, which is SOTA for kernel methods.

Linearization of attention using various kernel approximation and kernel learning techniques has shown promise. Past methods used a subset of combinations of component functions and weight matrices within the random feature paradigm. We identify the need for a systematic comparison of different combinations of weight matrices and component functions for attention learning in Transformer. Hence, we introduce Spectraformer, a unified framework for approximating and learning the kernel function in the attention mechanism of the Transformer. Our empirical results demonstrate, for the first time, that a random feature-based approach can achieve performance comparable to top-performing sparse and low-rank methods on the challenging Long Range Arena benchmark. Thus, we establish a new state-of-the-art for random feature-based efficient Transformers. The framework also produces many variants that offer different advantages in accuracy, training time, and memory consumption. Our code is available at: https://github.com/cruiseresearchgroup/spectraformer .

Late-interaction retrieval (ColBERT, ColPali) scores a query against a document via the MaxSim operator. The standard PyTorch implementation materialises the full query-token x document-token similarity tensor only to reduce it away. At ColPali scale this is the single largest tensor in the pipeline (e.g. 21 GB in FP16 for 10K documents) and limits both candidate set size at inference and batch size during contrastive training. We present Flash-MaxSim (FM), an IO-aware fused GPU kernel that computes the same MaxSim scores without ever materialising the tensor, and extends the same principle to the training backward. At ColPali scale on A100 this cuts inference memory up to 9x and training memory by two orders of magnitude, unlocking candidate sets and contrastive batch sizes a single GPU could not previously reach. The kernel is a drop-in replacement, exact up to floating-point evaluation order under its stated FP32-accumulation protocol: rankings match the FP32 reference within 5e-4 of nDCG@10 on BEIR and REAL-MM-RAG. A separate INT8 path trades exactness for halved index storage at high fidelity. Released open-source.

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 consider a number of graph kernels and proximity measures including commute time kernel, regularized Laplacian kernel, heat kernel, exponential diffusion kernel (also called "communicability"), etc., and the corresponding distances as applied to clustering nodes in random graphs and several well-known datasets. The model of generating random graphs involves edge probabilities for the pairs of nodes that belong to the same class or different predefined classes of nodes. It turns out that in most cases, logarithmic measures (i.e., measures resulting after taking logarithm of the proximities) perform better while distinguishing underlying classes than the "plain" measures. A comparison in terms of reject curves of inter-class and intra-class distances confirms this conclusion. A similar conclusion can be made for several well-known datasets. A possible origin of this effect is that most kernels have a multiplicative nature, while the nature of distances used in cluster algorithms is an additive one (cf. the triangle inequality). The logarithmic transformation is a tool to transform the first nature to the second one. Moreover, some distances corresponding to the logarithmic measures possess a meaningful cutpoint additivity property. In our experiments, the leader is usually the logarithmic Communicability measure. However, we indicate some more complicated cases in which other measures, typically, Communicability and plain Walk, can be the winners.

We introduce a regularization loss based on kernel mean embeddings with rotation-invariant kernels on the hypersphere (also known as dot-product kernels) for self-supervised learning of image representations. Besides being fully competitive with the state of the art, our method significantly reduces time and memory complexity for self-supervised training, making it implementable for very large embedding dimensions on existing devices and more easily adjustable than previous methods to settings with limited resources. Our work follows the major paradigm where the model learns to be invariant to some predefined image transformations (cropping, blurring, color jittering, etc.), while avoiding a degenerate solution by regularizing the embedding distribution. Our particular contribution is to propose a loss family promoting the embedding distribution to be close to the uniform distribution on the hypersphere, with respect to the maximum mean discrepancy pseudometric. We demonstrate that this family encompasses several regularizers of former methods, including uniformity-based and information-maximization methods, which are variants of our flexible regularization loss with different kernels. Beyond its practical consequences for state-of-the-art self-supervised learning with limited resources, the proposed generic regularization approach opens perspectives to leverage more widely the literature on kernel methods in order to improve self-supervised learning methods.

We introduce the concept of scalable neural network kernels (SNNKs), the replacements of regular feedforward layers (FFLs), capable of approximating the latter, but with favorable computational properties. SNNKs effectively disentangle the inputs from the parameters of the neural network in the FFL, only to connect them in the final computation via the dot-product kernel. They are also strictly more expressive, as allowing to model complicated relationships beyond the functions of the dot-products of parameter-input vectors. We also introduce the neural network bundling process that applies SNNKs to compactify deep neural network architectures, resulting in additional compression gains. In its extreme version, it leads to the fully bundled network whose optimal parameters can be expressed via explicit formulae for several loss functions (e.g. mean squared error), opening a possibility to bypass backpropagation. As a by-product of our analysis, we introduce the mechanism of the universal random features (or URFs), applied to instantiate several SNNK variants, and interesting on its own in the context of scalable kernel methods. We provide rigorous theoretical analysis of all these concepts as well as an extensive empirical evaluation, ranging from point-wise kernel estimation to Transformers' fine-tuning with novel adapter layers inspired by SNNKs. Our mechanism provides up to 5x reduction in the number of trainable parameters, while maintaining competitive accuracy.

This paper studies the online node classification problem under a transductive learning setting. Current methods either invert a graph kernel matrix with O(n^3) runtime and O(n^2) space complexity or sample a large volume of random spanning trees, thus are difficult to scale to large graphs. In this work, we propose an improvement based on the online relaxation technique introduced by a series of works (Rakhlin et al.,2012; Rakhlin and Sridharan, 2015; 2017). We first prove an effective regret O(n^{1+gamma}) when suitable parameterized graph kernels are chosen, then propose an approximate algorithm FastONL enjoying O(kn^{1+gamma}) regret based on this relaxation. The key of FastONL is a generalized local push method that effectively approximates inverse matrix columns and applies to a series of popular kernels. Furthermore, the per-prediction cost is O(vol({S})log 1/epsilon) locally dependent on the graph with linear memory cost. Experiments show that our scalable method enjoys a better tradeoff between local and global consistency.

Inspired by the long-range modeling ability of ViTs, large-kernel convolutions are widely studied and adopted recently to enlarge the receptive field and improve model performance, like the remarkable work ConvNeXt which employs 7x7 depthwise convolution. Although such depthwise operator only consumes a few FLOPs, it largely harms the model efficiency on powerful computing devices due to the high memory access costs. For example, ConvNeXt-T has similar FLOPs with ResNet-50 but only achieves 60% throughputs when trained on A100 GPUs with full precision. Although reducing the kernel size of ConvNeXt can improve speed, it results in significant performance degradation. It is still unclear how to speed up large-kernel-based CNN models while preserving their performance. To tackle this issue, inspired by Inceptions, we propose to decompose large-kernel depthwise convolution into four parallel branches along channel dimension, i.e. small square kernel, two orthogonal band kernels, and an identity mapping. With this new Inception depthwise convolution, we build a series of networks, namely IncepitonNeXt, which not only enjoy high throughputs but also maintain competitive performance. For instance, InceptionNeXt-T achieves 1.6x higher training throughputs than ConvNeX-T, as well as attains 0.2% top-1 accuracy improvement on ImageNet-1K. We anticipate InceptionNeXt can serve as an economical baseline for future architecture design to reduce carbon footprint. Code is available at https://github.com/sail-sg/inceptionnext.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

High quality kernels are critical for reducing training and inference costs of Large Language Models (LLMs), yet they traditionally require significant expertise in hardware architecture and software optimization. While recent advances in LLM-based code generation show promise for complex optimization, existing methods struggle with the vast optimization space due to insufficient hardware domain knowledge, failing to effectively balance exploration and exploitation. We present KernelBand, a novel framework that formulates kernel optimization as a hierarchical multi-armed bandit problem, enabling LLM agents to strategically navigate the optimization space by treating kernel selection and optimization strategy application as sequential decision-making processes. Our approach leverages hardware profiling information to identify promising optimization strategies and employs runtime behavior clustering to reduce exploration overhead across kernel candidates. Extensive experiments on TritonBench demonstrate that KernelBand significantly outperforms state-of-the-art methods, achieving superior performance with fewer tokens while exhibiting consistent improvement without saturation as computational resources increase.

LLM-based agents for GPU kernel generation are advancing rapidly, yet their progress is fundamentally constrained by the benchmarks they optimize against. Existing benchmarks are poorly aligned with production inference frameworks: they evaluate kernels on a single GPU with synthetic inputs, ignore the surrounding compilation stack, and reward replicating known optimizations rather than discovering new ones. The resulting reward signals are misleading: agents learn to generate kernels that score well in sandboxes but introduce interface incompatibilities, compilation-stack conflicts, and silent correctness degradation when integrated into real systems. We introduce FastKernels, a kernel benchmark built around a minimal set of 46 representative architectures spanning 8 categories, whose kernels collectively subsume those of 96.2% (409/425) of HuggingFace Transformers architectures. FastKernels doubles as a minimalistic, production-grade inference framework that runs at parity with hardened systems such as vLLM and SGLang on mainstream LLM serving and substantially exceeds upstream references on under-served architectures; each task's interface mirrors the corresponding module in the state-of-the-art library for its architecture family, enabling direct deployment of optimized kernels into production codebases. Evaluating state-of-the-art kernel agents on FastKernels, we find that even the strongest agent achieves only 0.94times aggregate speedup over production baselines, with weaker agents at 0.78times and 0.53times -- confirming that benchmark-production misalignment is a critical bottleneck for the field. We release FastKernels as a stepping stone toward kernel agents whose benchmark gains translate directly into production throughput improvements. Code is available at https://github.com/Snowflake-AI-Research/fastkernels

Writing high-performance GPU kernels is among the most labor-intensive tasks in machine learning systems engineering. We present AutoKernel, an open-source framework that applies an autonomous agent loop to GPU kernel optimization for arbitrary PyTorch models. Given a model, AutoKernel profiles it to identify computational bottlenecks, ranks them by Amdahl's law impact, and iteratively refines Triton or CUDA C++ kernel implementations through hundreds of experiments without human intervention. A five-stage correctness harness covering smoke tests, shape sweeps, numerical stability, determinism verification, and edge-case coverage ensures every candidate kernel is validated before any speedup is recorded. The system comprises over 9,000 lines of Python, 18 starter kernel implementations across two backends, a six-tier optimization playbook, and integration with the KernelBench benchmark suite. AutoKernel covers nine kernel types spanning the dominant operations in modern transformer architectures. On an NVIDIA H100, our Triton kernels outperform both PyTorch eager and torch.compile (max-autotune) on the majority of tested configurations: 5.29x over eager on RMSNorm, 2.82x on softmax, and 2.21x on cross-entropy, while beating torch.compile by 2.83x, 3.44x, and 2.94x respectively. In community deployment, an AutoKernel-optimized kernel achieved first place on the vectorsum_v2 B200 leaderboard. The full system is available at https://github.com/RightNow-AI/autokernel.

Recent studies indicate that kernel machines can often perform similarly or better than deep neural networks (DNNs) on small datasets. The interest in kernel machines has been additionally bolstered by the discovery of their equivalence to wide neural networks in certain regimes. However, a key feature of DNNs is their ability to scale the model size and training data size independently, whereas in traditional kernel machines model size is tied to data size. Because of this coupling, scaling kernel machines to large data has been computationally challenging. In this paper, we provide a way forward for constructing large-scale general kernel models, which are a generalization of kernel machines that decouples the model and data, allowing training on large datasets. Specifically, we introduce EigenPro 3.0, an algorithm based on projected dual preconditioned SGD and show scaling to model and data sizes which have not been possible with existing kernel methods.

Recent research shows that the dynamics of an infinitely wide neural network (NN) trained by gradient descent can be characterized by Neural Tangent Kernel (NTK) jacot2018neural. Under the squared loss, the infinite-width NN trained by gradient descent with an infinitely small learning rate is equivalent to kernel regression with NTK arora2019exact. However, the equivalence is only known for ridge regression currently arora2019harnessing, while the equivalence between NN and other kernel machines (KMs), e.g. support vector machine (SVM), remains unknown. Therefore, in this work, we propose to establish the equivalence between NN and SVM, and specifically, the infinitely wide NN trained by soft margin loss and the standard soft margin SVM with NTK trained by subgradient descent. Our main theoretical results include establishing the equivalences between NNs and a broad family of ell_2 regularized KMs with finite-width bounds, which cannot be handled by prior work, and showing that every finite-width NN trained by such regularized loss functions is approximately a KM. Furthermore, we demonstrate our theory can enable three practical applications, including (i) non-vacuous generalization bound of NN via the corresponding KM; (ii) non-trivial robustness certificate for the infinite-width NN (while existing robustness verification methods would provide vacuous bounds); (iii) intrinsically more robust infinite-width NNs than those from previous kernel regression. Our code for the experiments is available at https://github.com/leslie-CH/equiv-nn-svm.

The performance of modern AI systems is fundamentally constrained by the quality of their underlying kernels, which translate high-level algorithmic semantics into low-level hardware operations. Achieving near-optimal kernels requires expert-level understanding of hardware architectures and programming models, making kernel engineering a critical but notoriously time-consuming and non-scalable process. Recent advances in large language models (LLMs) and LLM-based agents have opened new possibilities for automating kernel generation and optimization. LLMs are well-suited to compress expert-level kernel knowledge that is difficult to formalize, while agentic systems further enable scalable optimization by casting kernel development as an iterative, feedback-driven loop. Rapid progress has been made in this area. However, the field remains fragmented, lacking a systematic perspective for LLM-driven kernel generation. This survey addresses this gap by providing a structured overview of existing approaches, spanning LLM-based approaches and agentic optimization workflows, and systematically compiling the datasets and benchmarks that underpin learning and evaluation in this domain. Moreover, key open challenges and future research directions are further outlined, aiming to establish a comprehensive reference for the next generation of automated kernel optimization. To keep track of this field, we maintain an open-source GitHub repository at https://github.com/flagos-ai/awesome-LLM-driven-kernel-generation.

We revisit large kernel design in modern convolutional neural networks (CNNs). Inspired by recent advances in vision transformers (ViTs), in this paper, we demonstrate that using a few large convolutional kernels instead of a stack of small kernels could be a more powerful paradigm. We suggested five guidelines, e.g., applying re-parameterized large depth-wise convolutions, to design efficient high-performance large-kernel CNNs. Following the guidelines, we propose RepLKNet, a pure CNN architecture whose kernel size is as large as 31x31, in contrast to commonly used 3x3. RepLKNet greatly closes the performance gap between CNNs and ViTs, e.g., achieving comparable or superior results than Swin Transformer on ImageNet and a few typical downstream tasks, with lower latency. RepLKNet also shows nice scalability to big data and large models, obtaining 87.8% top-1 accuracy on ImageNet and 56.0% mIoU on ADE20K, which is very competitive among the state-of-the-arts with similar model sizes. Our study further reveals that, in contrast to small-kernel CNNs, large-kernel CNNs have much larger effective receptive fields and higher shape bias rather than texture bias. Code & models at https://github.com/megvii-research/RepLKNet.

The rapid rise of large language models (LLMs) has unlocked many applications but also underscores the challenge of aligning them with diverse values and preferences. Direct Preference Optimization (DPO) is central to alignment but constrained by fixed divergences and limited feature transformations. We propose DPO-Kernels, which integrates kernel methods to address these issues through four key contributions: (i) Kernelized Representations with polynomial, RBF, Mahalanobis, and spectral kernels for richer transformations, plus a hybrid loss combining embedding-based and probability-based objectives; (ii) Divergence Alternatives (Jensen-Shannon, Hellinger, Renyi, Bhattacharyya, Wasserstein, and f-divergences) for greater stability; (iii) Data-Driven Selection metrics that automatically choose the best kernel-divergence pair; and (iv) a Hierarchical Mixture of Kernels for both local precision and global modeling. Evaluations on 12 datasets demonstrate state-of-the-art performance in factuality, safety, reasoning, and instruction following. Grounded in Heavy-Tailed Self-Regularization, DPO-Kernels maintains robust generalization for LLMs, offering a comprehensive resource for further alignment research.

We introduce in this paper the mechanism of graph random features (GRFs). GRFs can be used to construct unbiased randomized estimators of several important kernels defined on graphs' nodes, in particular the regularized Laplacian kernel. As regular RFs for non-graph kernels, they provide means to scale up kernel methods defined on graphs to larger networks. Importantly, they give substantial computational gains also for smaller graphs, while applied in downstream applications. Consequently, GRFs address the notoriously difficult problem of cubic (in the number of the nodes of the graph) time complexity of graph kernels algorithms. We provide a detailed theoretical analysis of GRFs and an extensive empirical evaluation: from speed tests, through Frobenius relative error analysis to kmeans graph-clustering with graph kernels. We show that the computation of GRFs admits an embarrassingly simple distributed algorithm that can be applied if the graph under consideration needs to be split across several machines. We also introduce a (still unbiased) quasi Monte Carlo variant of GRFs, q-GRFs, relying on the so-called reinforced random walks, that might be used to optimize the variance of GRFs. As a byproduct, we obtain a novel approach to solve certain classes of linear equations with positive and symmetric matrices.

This paper revisits the problem of computing empirical cumulative distribution functions (ECDF) efficiently on large, multivariate datasets. Computing an ECDF at one evaluation point requires O(N) operations on a dataset composed of N data points. Therefore, a direct evaluation of ECDFs at N evaluation points requires a quadratic O(N^2) operations, which is prohibitive for large-scale problems. Two fast and exact methods are proposed and compared. The first one is based on fast summation in lexicographical order, with a O(N{log}N) complexity and requires the evaluation points to lie on a regular grid. The second one is based on the divide-and-conquer principle, with a O(Nlog(N)^{(d-1){vee}1}) complexity and requires the evaluation points to coincide with the input points. The two fast algorithms are described and detailed in the general d-dimensional case, and numerical experiments validate their speed and accuracy. Secondly, the paper establishes a direct connection between cumulative distribution functions and kernel density estimation (KDE) for a large class of kernels. This connection paves the way for fast exact algorithms for multivariate kernel density estimation and kernel regression. Numerical tests with the Laplacian kernel validate the speed and accuracy of the proposed algorithms. A broad range of large-scale multivariate density estimation, cumulative distribution estimation, survival function estimation and regression problems can benefit from the proposed numerical methods.

In this reproduction study, we revisit recent claims that self-attention implements kernel principal component analysis (KPCA) (Teo et al., 2024), positing that (i) value vectors V capture the eigenvectors of the Gram matrix of the keys, and (ii) that self-attention projects queries onto the principal component axes of the key matrix K in a feature space. Our analysis reveals three critical inconsistencies: (1) No alignment exists between learned self-attention value vectors and what is proposed in the KPCA perspective, with average similarity metrics (optimal cosine similarity leq 0.32, linear CKA (Centered Kernel Alignment) leq 0.11, kernel CKA leq 0.32) indicating negligible correspondence; (2) Reported decreases in reconstruction loss J_proj, arguably justifying the claim that the self-attention minimizes the projection error of KPCA, are misinterpreted, as the quantities involved differ by orders of magnitude (sim!10^3); (3) Gram matrix eigenvalue statistics, introduced to justify that V captures the eigenvector of the gram matrix, are irreproducible without undocumented implementation-specific adjustments. Across 10 transformer architectures, we conclude that the KPCA interpretation of self-attention lacks empirical support.

In recent years, the use of large convolutional kernels has become popular in designing convolutional neural networks due to their ability to capture long-range dependencies and provide large receptive fields. However, the increase in kernel size also leads to a quadratic growth in the number of parameters, resulting in heavy computation and memory requirements. To address this challenge, we propose a neighborhood attention (NA) module that upgrades the standard convolution with a self-attention mechanism. The NA module efficiently extracts long-range dependencies in a sliding window pattern, thereby achieving similar performance to large convolutional kernels but with fewer parameters. Building upon the NA module, we propose a lightweight single image super-resolution (SISR) network named TCSR. Additionally, we introduce an enhanced feed-forward network (EFFN) in TCSR to improve the SISR performance. EFFN employs a parameter-free spatial-shift operation for efficient feature aggregation. Our extensive experiments and ablation studies demonstrate that TCSR outperforms existing lightweight SISR methods and achieves state-of-the-art performance. Our codes are available at https://github.com/Aitical/TCSR.

We here propose a machine learning approach for monitoring particle detectors in real-time. The goal is to assess the compatibility of incoming experimental data with a reference dataset, characterising the data behaviour under normal circumstances, via a likelihood-ratio hypothesis test. The model is based on a modern implementation of kernel methods, nonparametric algorithms that can learn any continuous function given enough data. The resulting approach is efficient and agnostic to the type of anomaly that may be present in the data. Our study demonstrates the effectiveness of this strategy on multivariate data from drift tube chamber muon detectors.

Kernel online convex optimization (KOCO) is a framework combining the expressiveness of non-parametric kernel models with the regret guarantees of online learning. First-order KOCO methods such as functional gradient descent require only O(t) time and space per iteration, and, when the only information on the losses is their convexity, achieve a minimax optimal O(T) regret. Nonetheless, many common losses in kernel problems, such as squared loss, logistic loss, and squared hinge loss posses stronger curvature that can be exploited. In this case, second-order KOCO methods achieve O(log(Det(K))) regret, which we show scales as O(d_{eff}log T), where d_{eff} is the effective dimension of the problem and is usually much smaller than O(T). The main drawback of second-order methods is their much higher O(t^2) space and time complexity. In this paper, we introduce kernel online Newton step (KONS), a new second-order KOCO method that also achieves O(d_{eff}log T) regret. To address the computational complexity of second-order methods, we introduce a new matrix sketching algorithm for the kernel matrix K_t, and show that for a chosen parameter γleq 1 our Sketched-KONS reduces the space and time complexity by a factor of γ^2 to O(t^2γ^2) space and time per iteration, while incurring only 1/γ times more regret.

Currently, prominent Transformer architectures applied on graphs and meshes for shape analysis tasks employ traditional attention layers that heavily utilize spectral features requiring costly eigenvalue decomposition-based methods. To encode the mesh structure, these methods derive positional embeddings, that heavily rely on eigenvalue decomposition based operations, e.g. on the Laplacian matrix, or on heat-kernel signatures, which are then concatenated to the input features. This paper proposes a novel approach inspired by the explicit construction of the Hodge Laplacian operator in Discrete Exterior Calculus as a product of discrete Hodge operators and exterior derivatives, i.e. (L := star_0^{-1} d_0^T star_1 d_0). We adjust the Transformer architecture in a novel deep learning layer that utilizes the multi-head attention mechanism to approximate Hodge matrices star_0, star_1 and star_2 and learn families of discrete operators L that act on mesh vertices, edges and faces. Our approach results in a computationally-efficient architecture that achieves comparable performance in mesh segmentation and classification tasks, through a direct learning framework, while eliminating the need for costly eigenvalue decomposition operations or complex preprocessing operations.

Vision transformers (ViTs) have pushed the state-of-the-art for visual perception tasks. The self-attention mechanism underpinning the strength of ViTs has a quadratic complexity in both computation and memory usage. This motivates the development of approximating the self-attention at linear complexity. However, an in-depth analysis in this work reveals that existing methods are either theoretically flawed or empirically ineffective for visual recognition. We identify that their limitations are rooted in the inheritance of softmax-based self-attention during approximations, that is, normalizing the scaled dot-product between token feature vectors using the softmax function. As preserving the softmax operation challenges any subsequent linearization efforts. By this insight, a family of Softmax-Free Transformers (SOFT) are proposed. Specifically, a Gaussian kernel function is adopted to replace the dot-product similarity, enabling a full self-attention matrix to be approximated under low-rank matrix decomposition. For computational robustness, we estimate the Moore-Penrose inverse using an iterative Newton-Raphson method in the forward process only, while calculating its theoretical gradients only once in the backward process. To further expand applicability (e.g., dense prediction tasks), an efficient symmetric normalization technique is introduced. Extensive experiments on ImageNet, COCO, and ADE20K show that our SOFT significantly improves the computational efficiency of existing ViT variants. With linear complexity, much longer token sequences are permitted by SOFT, resulting in superior trade-off between accuracy and complexity. Code and models are available at https://github.com/fudan-zvg/SOFT.

The challenge of mapping AI architectures to GPU hardware is creating a critical bottleneck in AI progress. Despite substantial efforts, hand-written custom kernels fail to meet their theoretical performance thresholds, even on well-established operations like linear attention. The diverse hardware capabilities of GPUs might suggest that we need a wide variety of techniques to achieve high performance. However, our work explores whether a small number of key abstractions can drastically simplify the process. We present ThunderKittens (TK), a framework for writing performant AI kernels while remaining easy to use and maintain. Our abstractions map to the three levels of the GPU hierarchy: (1) at the warp-level, we provide 16x16 matrix tiles as basic data structures and PyTorch-like parallel compute operations over tiles, (2) at the thread-block level, we provide a template for overlapping asynchronous operations across parallel warps, and (3) at the grid-level, we provide support to help hide the block launch and tear-down, and memory costs. We show the value of TK by providing kernels that match or outperform prior kernels for a range of AI operations. We match CuBLAS and FlashAttention-3 on GEMM and attention inference performance and outperform the strongest baselines by 10-40% on attention backwards, 8times on state space models, and 14times on linear attention.

We study the deterministic global optimization of trained Gaussian process posterior mean functions over hyperrectangular domains. Although the posterior mean function has a compact closed-form representation, its global optimization is challenging because it remains nonlinear and nonconvex. Existing exact deterministic approaches become increasingly difficult to scale as the number of training data points grows, leading to approximation-based methods that improve tractability by optimizing a modified (inexact) objective. In this work, we propose PALM-Mean, a piecewise-analytic lower-bounding framework embedded in reduced-space spatial branch-and-bound. At each node, kernel terms that are locally important are replaced by a sign-aware piecewise-linear relaxation in an appropriate scalar distance variable, while the remaining terms are bounded analytically in closed form. We show this hybrid approach yields a valid lower bound for the posterior mean, while limiting the size of the branch-and-bound subproblems. We establish validity of the node lower bounds and varepsilon-global convergence of the resulting algorithm. Computational results on synthetic benchmarks and real-world application problems show that PALM-Mean improves scalability relative to representative general-purpose deterministic global solvers, particularly as the number of training data points increases.

We introduce a new approach to nonlinear sufficient dimension reduction in cases where both the predictor and the response are distributional data, modeled as members of a metric space. Our key step is to build universal kernels (cc-universal) on the metric spaces, which results in reproducing kernel Hilbert spaces for the predictor and response that are rich enough to characterize the conditional independence that determines sufficient dimension reduction. For univariate distributions, we construct the universal kernel using the Wasserstein distance, while for multivariate distributions, we resort to the sliced Wasserstein distance. The sliced Wasserstein distance ensures that the metric space possesses similar topological properties to the Wasserstein space while also offering significant computation benefits. Numerical results based on synthetic data show that our method outperforms possible competing methods. The method is also applied to several data sets, including fertility and mortality data and Calgary temperature data.

The successes of modern deep machine learning methods are founded on their ability to transform inputs across multiple layers to build good high-level representations. It is therefore critical to understand this process of representation learning. However, standard theoretical approaches (formally NNGPs) involving infinite width limits eliminate representation learning. We therefore develop a new infinite width limit, the Bayesian representation learning limit, that exhibits representation learning mirroring that in finite-width models, yet at the same time, retains some of the simplicity of standard infinite-width limits. In particular, we show that Deep Gaussian processes (DGPs) in the Bayesian representation learning limit have exactly multivariate Gaussian posteriors, and the posterior covariances can be obtained by optimizing an interpretable objective combining a log-likelihood to improve performance with a series of KL-divergences which keep the posteriors close to the prior. We confirm these results experimentally in wide but finite DGPs. Next, we introduce the possibility of using this limit and objective as a flexible, deep generalisation of kernel methods, that we call deep kernel machines (DKMs). Like most naive kernel methods, DKMs scale cubically in the number of datapoints. We therefore use methods from the Gaussian process inducing point literature to develop a sparse DKM that scales linearly in the number of datapoints. Finally, we extend these approaches to NNs (which have non-Gaussian posteriors) in the Appendices.

In pursuit of faster computation, Efficient Transformers demonstrate an impressive variety of approaches -- models attaining sub-quadratic attention complexity can utilize a notion of sparsity or a low-rank approximation of inputs to reduce the number of attended keys; other ways to reduce complexity include locality-sensitive hashing, key pooling, additional memory to store information in compacted or hybridization with other architectures, such as CNN. Often based on a strong mathematical basis, kernelized approaches allow for the approximation of attention with linear complexity while retaining high accuracy. Therefore, in the present paper, we aim to expand the idea of trainable kernel methods to approximate the self-attention mechanism of the Transformer architecture.

Large-kernel convolutional neural networks (ConvNets) have recently received extensive research attention, but there are two unresolved and critical issues that demand further investigation. 1) The architectures of existing large-kernel ConvNets largely follow the design principles of conventional ConvNets or transformers, while the architectural design for large-kernel ConvNets remains under-addressed. 2) As transformers have dominated multiple modalities, it remains to be investigated whether ConvNets also have a strong universal perception ability in domains beyond vision. In this paper, we contribute from two aspects. 1) We propose four architectural guidelines for designing large-kernel ConvNets, the core of which is to exploit the essential characteristics of large kernels that distinguish them from small kernels - they can see wide without going deep. Following such guidelines, our proposed large-kernel ConvNet shows leading performance in image recognition. For example, our models achieve an ImageNet accuracy of 88.0%, ADE20K mIoU of 55.6%, and COCO box AP of 56.4%, demonstrating better performance and higher speed than a number of recently proposed powerful competitors. 2) We discover that large kernels are the key to unlocking the exceptional performance of ConvNets in domains where they were originally not proficient. With certain modality-related preprocessing approaches, the proposed model achieves state-of-the-art performance on time-series forecasting and audio recognition tasks even without modality-specific customization to the architecture. Code and all the models at https://github.com/AILab-CVC/UniRepLKNet.

We provide evidence of quantum kernel advantage under noiseless simulation in binary insurance classification on MIMIC-CXR chest radiographs using quantum support vector machines (QSVM) with frozen embeddings from three medical foundation models (MedSigLIP-448, RAD-DINO, ViT-patch32). We propose a two-tier fair comparison framework in which both classifiers receive identical PCA-q features. At Tier 1 (untuned QSVM vs. untuned linear SVM, C = 1 both sides), QSVM wins minority-class F1 in all 18 tested configurations (17 at p < 0.001, 1 at p < 0.01). The classical linear kernel collapses to majority-class prediction on 90-100% of seeds at every qubit count, while QSVM maintains non-trivial recall. At q = 11 (MedSigLIP-448 plateau center), QSVM achieves mean F1 = 0.343 vs. classical F1 = 0.050 (F1 gain = +0.293, p < 0.001) without hyperparameter tuning. Under Tier 2 (untuned QSVM vs. C-tuned RBF SVM), QSVM wins all seven tested configurations (mean gain +0.068, max +0.112). Eigenspectrum analysis reveals quantum kernel effective rank reaches 69.80 at q = 11, far exceeding linear kernel rank, while classical collapse remains C-invariant. A full qubit sweep reveals architecture-dependent concentration onset across models. Code: https://github.com/sebasmos/qml-medimage

The existing definitions of graph convolution, either from spatial or spectral perspectives, are inflexible and not unified. Defining a general convolution operator in the graph domain is challenging due to the lack of canonical coordinates, the presence of irregular structures, and the properties of graph symmetries. In this work, we propose a novel and general graph convolution framework by parameterizing the kernels as continuous functions of pseudo-coordinates derived via graph positional encoding. We name this Continuous Kernel Graph Convolution (CKGConv). Theoretically, we demonstrate that CKGConv is flexible and expressive. CKGConv encompasses many existing graph convolutions, and exhibits a stronger expressiveness, as powerful as graph transformers in terms of distinguishing non-isomorphic graphs. Empirically, we show that CKGConv-based Networks outperform existing graph convolutional networks and perform comparably to the best graph transformers across a variety of graph datasets. The code and models are publicly available at https://github.com/networkslab/CKGConv.

Benchmarks for LLM-generated GPU kernels (KernelBench, TritonBench, GEAK) score correctness through fixed-shape, small-sample allclose-style checks. The number of inputs varies between benchmarks. The shape, dtype, and tolerance are fixed for each kernel. We test that oracle empirically. We construct a controlled corpus of 24 Triton and CPU stand-in kernels (15 correct controls and 9 LLM-style buggy variants seeded with documented transcription errors) and re-evaluate it under op-schema-aware seeded fuzzing with a high-precision (fp64) CPU reference and per-(op, dtype) absolute tolerances. The seeded oracle flags 9 of 9 buggy kernels and passes 15 of 15 correct controls, at zero precision cost on controls. We extend the corpus to 26 ops (adding a flash-attention pair) and re-run the same protocol on five GPU classes (RTX 3060, A10, L40S, A100 SXM4, H100 NVL). The verdicts are identical across all five GPUs: 10 of 10 illusions caught and 16 of 16 controls clean. The corpus result is about LLM-style transcription bugs that the allclose-on-one-shape oracle certifies as correct, not about the bug rate of any specific deployed LLM. Every flagged failure replays byte-for-byte from a stored seed.

We consider the problem of contextual kernel bandits with stochastic contexts, where the underlying reward function belongs to a known Reproducing Kernel Hilbert Space (RKHS). We study this problem under the additional constraint of joint differential privacy, where the agents needs to ensure that the sequence of query points is differentially private with respect to both the sequence of contexts and rewards. We propose a novel algorithm that improves upon the state of the art and achieves an error rate of Oleft(frac{gamma_T{T}} + gamma_T{T varepsilon}right) after T queries for a large class of kernel families, where gamma_T represents the effective dimensionality of the kernel and varepsilon > 0 is the privacy parameter. Our results are based on a novel estimator for the reward function that simultaneously enjoys high utility along with a low-sensitivity to observed rewards and contexts, which is crucial to obtain an order optimal learning performance with improved dependence on the privacy parameter.

Kernel methods in Quantum Machine Learning (QML) have recently gained significant attention as a potential candidate for achieving a quantum advantage in data analysis. Among other attractive properties, when training a kernel-based model one is guaranteed to find the optimal model's parameters due to the convexity of the training landscape. However, this is based on the assumption that the quantum kernel can be efficiently obtained from quantum hardware. In this work we study the performance of quantum kernel models from the perspective of the resources needed to accurately estimate kernel values. We show that, under certain conditions, values of quantum kernels over different input data can be exponentially concentrated (in the number of qubits) towards some fixed value. Thus on training with a polynomial number of measurements, one ends up with a trivial model where the predictions on unseen inputs are independent of the input data. We identify four sources that can lead to concentration including: expressivity of data embedding, global measurements, entanglement and noise. For each source, an associated concentration bound of quantum kernels is analytically derived. Lastly, we show that when dealing with classical data, training a parametrized data embedding with a kernel alignment method is also susceptible to exponential concentration. Our results are verified through numerical simulations for several QML tasks. Altogether, we provide guidelines indicating that certain features should be avoided to ensure the efficient evaluation of quantum kernels and so the performance of quantum kernel methods.

We present Kernel-Smith, a framework for high-performance GPU kernel and operator generation that combines a stable evaluation-driven evolutionary agent with an evolution-oriented post-training recipe. On the agent side, Kernel-Smith maintains a population of executable candidates and iteratively improves them using an archive of top-performing and diverse programs together with structured execution feedback on compilation, correctness, and speedup. To make this search reliable, we build backend-specific evaluation services for Triton on NVIDIA GPUs and Maca on MetaX GPUs. On the training side, we convert long-horizon evolution trajectories into step-centric supervision and reinforcement learning signals by retaining correctness-preserving, high-gain revisions, so that the model is optimized as a strong local improver inside the evolutionary loop rather than as a one-shot generator. Under a unified evolutionary protocol, Kernel-Smith-235B-RL achieves state-of-the-art overall performance on KernelBench with Nvidia Triton backend, attaining the best average speedup ratio and outperforming frontier proprietary models including Gemini-3.0-pro and Claude-4.6-opus. We further validate the framework on the MetaX MACA backend, where our Kernel-Smith-MACA-30B surpasses large-scale counterparts such as DeepSeek-V3.2-think and Qwen3-235B-2507-think, highlighting potential for seamless adaptation across heterogeneous platforms. Beyond benchmark results, the same workflow produces upstream contributions to production systems including SGLang and LMDeploy, demonstrating that LLM-driven kernel optimization can transfer from controlled evaluation to practical deployment.

Distances between probability distributions that take into account the geometry of their sample space,like the Wasserstein or the Maximum Mean Discrepancy (MMD) distances have received a lot of attention in machine learning as they can, for instance, be used to compare probability distributions with disjoint supports. In this paper, we study a class of statistical Hilbert distances that we term the Schoenberg-Rao distances, a generalization of the MMD that allows one to consider a broader class of kernels, namely the conditionally negative semi-definite kernels. In particular, we introduce a principled way to construct such kernels and derive novel closed-form distances between mixtures of Gaussian distributions. These distances, derived from the concave Rao's quadratic entropy, enjoy nice theoretical properties and possess interpretable hyperparameters which can be tuned for specific applications. Our method constitutes a practical alternative to Wasserstein distances and we illustrate its efficiency on a broad range of machine learning tasks such as density estimation, generative modeling and mixture simplification.

We propose a new class of linear-time attention mechanisms based on a relaxed and computationally efficient formulation of the recently introduced E-Product, often referred to as the Yat-kernel (Bouhsine, 2025). The resulting interactions are geometry-aware and inspired by inverse-square interactions in physics. Our method, Spherical Linearized Attention with Yat Kernels (SLAY), constrains queries and keys to the unit sphere so that attention depends only on angular alignment. Using Bernstein's theorem, we express the spherical Yat-kernel as a nonnegative mixture of polynomial-exponential product kernels and derive a strictly positive random-feature approximation enabling linear-time O(L) attention. We establish positive definiteness and boundedness on the sphere and show that the estimator yields well-defined, nonnegative attention scores. Empirically, SLAY achieves performance that is nearly indistinguishable from standard softmax attention while retaining linear time and memory scaling, and consistently outperforms prior linear-time attention mechanisms such as Performers and Cosformers. To the best of our knowledge, SLAY represents the closest linear-time approximation to softmax attention reported to date, enabling scalable Transformers without the typical performance trade-offs of attention linearization.

Convolutional neural networks have become a main tool for solving many machine vision and machine learning problems. A major element of these networks is the convolution operator which essentially computes the inner product between a weight vector and the vectorized image patches extracted by sliding a window in the image planes of the previous layer. In this paper, we propose two classes of surrogate functions for the inner product operation inherent in the convolution operator and so attain two generalizations of the convolution operator. The first one is the class of positive definite kernel functions where their application is justified by the kernel trick. The second one is the class of similarity measures defined based on a distance function. We justify this by tracing back to the basic idea behind the neocognitron which is the ancestor of CNNs. Both methods are then further generalized by allowing a monotonically increasing function to be applied subsequently. Like any trainable parameter in a neural network, the template pattern and the parameters of the kernel/distance function are trained with the back-propagation algorithm. As an aside, we use the proposed framework to justify the use of sine activation function in CNNs. Our experiments on the MNIST dataset show that the performance of ordinary CNNs can be achieved by generalized CNNs based on weighted L1/L2 distances, proving the applicability of the proposed generalization of the convolutional neural networks.

A key property of deep neural networks (DNNs) is their ability to learn new features during training. This intriguing aspect of deep learning stands out most clearly in recently reported Grokking phenomena. While mainly reflected as a sudden increase in test accuracy, Grokking is also believed to be a beyond lazy-learning/Gaussian Process (GP) phenomenon involving feature learning. Here we apply a recent development in the theory of feature learning, the adaptive kernel approach, to two teacher-student models with cubic-polynomial and modular addition teachers. We provide analytical predictions on feature learning and Grokking properties of these models and demonstrate a mapping between Grokking and the theory of phase transitions. We show that after Grokking, the state of the DNN is analogous to the mixed phase following a first-order phase transition. In this mixed phase, the DNN generates useful internal representations of the teacher that are sharply distinct from those before the transition.

Alignment is crucial for text-to-image (T2I) models to ensure that generated images faithfully capture user intent while maintaining safety and fairness. Direct Preference Optimization (DPO), prominent in large language models (LLMs), is extending its influence to T2I systems. This paper introduces DPO-Kernels for T2I models, a novel extension enhancing alignment across three dimensions: (i) Hybrid Loss, integrating embedding-based objectives with traditional probability-based loss for improved optimization; (ii) Kernelized Representations, employing Radial Basis Function (RBF), Polynomial, and Wavelet kernels for richer feature transformations and better separation between safe and unsafe inputs; and (iii) Divergence Selection, expanding beyond DPO's default Kullback-Leibler (KL) regularizer by incorporating Wasserstein and R'enyi divergences for enhanced stability and robustness. We introduce DETONATE, the first large-scale benchmark of its kind, comprising approximately 100K curated image pairs categorized as chosen and rejected. DETONATE encapsulates three axes of social bias and discrimination: Race, Gender, and Disability. Prompts are sourced from hate speech datasets, with images generated by leading T2I models including Stable Diffusion 3.5 Large, Stable Diffusion XL, and Midjourney. Additionally, we propose the Alignment Quality Index (AQI), a novel geometric measure quantifying latent-space separability of safe/unsafe image activations, revealing hidden vulnerabilities. Empirically, we demonstrate that DPO-Kernels maintain strong generalization bounds via Heavy-Tailed Self-Regularization (HT-SR). DETONATE and complete code are publicly released.

It is now a common business practice to buy access to large language model (LLM) inference rather than self-host, because of significant upfront hardware infrastructure and energy costs. However, as a buyer, there is no mechanism to verify the authenticity of the advertised service including the serving hardware platform, e.g. that it is actually being served using an NVIDIA H100. Furthermore, there are reports suggesting that model providers may deliver models that differ slightly from the advertised ones, often to make them run on less expensive hardware. That way, a client pays premium for a capable model access on more expensive hardware, yet ends up being served by a (potentially less capable) cheaper model on cheaper hardware. In this paper we introduce \textbf{hardware and software platform inference (HSPI)} -- a method for identifying the underlying architecture and software stack of a (black-box) machine learning model solely based on its input-output behavior. Our method leverages the inherent differences of various architectures and compilers to distinguish between different types and software stacks. By analyzing the numerical patterns in the model's outputs, we propose a classification framework capable of accurately identifying the used for model inference as well as the underlying software configuration. Our findings demonstrate the feasibility of inferring type from black-box models. We evaluate HSPI against models served on different real hardware and find that in a white-box setting we can distinguish between different s with between 83.9% and 100% accuracy. Even in a black-box setting we are able to achieve results that are up to three times higher than random guess accuracy.

The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a framework for constructing such methods out of (network-dependent) base kernels, kernel transformations, and selection methods. Our framework encompasses many existing Bayesian methods based on Gaussian process approximations of neural networks as well as non-Bayesian methods. Additionally, we propose to replace the commonly used last-layer features with sketched finite-width neural tangent kernels and to combine them with a novel clustering method. To evaluate different methods, we introduce an open-source benchmark consisting of 15 large tabular regression data sets. Our proposed method outperforms the state-of-the-art on our benchmark, scales to large data sets, and works out-of-the-box without adjusting the network architecture or training code. We provide open-source code that includes efficient implementations of all kernels, kernel transformations, and selection methods, and can be used for reproducing our results.

Financial services is a prospect industry where unlocked near-term quantum utility could yield profitable potential, and, in particular, quantum machine learning algorithms could potentially benefit businesses by improving the quality of predictive models. Quantum kernel methods have demonstrated success in financial, binary classification tasks, like fraud detection, and avoid issues found in variational quantum machine learning approaches. However, choosing a suitable quantum kernel for a classical dataset remains a challenge. We propose a hybrid, quantum multiple kernel learning (QMKL) methodology that can improve classification quality over a single kernel approach. We test the robustness of QMKL on several financially relevant datasets using both fidelity and projected quantum kernel approaches. We further demonstrate QMKL on quantum hardware using an error mitigation pipeline and show the benefits of QMKL in the large qubit regime.

We evaluate AI-assisted generative capabilities on fundamental numerical kernels in high-performance computing (HPC), including AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG. We test the generated kernel codes for a variety of language-supported programming models, including (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numba, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). We use the GitHub Copilot capabilities powered by OpenAI Codex available in Visual Studio Code as of April 2023 to generate a vast amount of implementations given simple <kernel> + <programming model> + <optional hints> prompt variants. To quantify and compare the results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. Results suggest that the OpenAI Codex outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general-purpose Python can benefit from adding code keywords, while Julia prompts perform acceptably well for its mature programming models (e.g., Threads and CUDA.jl). We expect for these benchmarks to provide a point of reference for each programming model's community. Overall, understanding the convergence of large language models, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

We apply the Weibull distribution -- a two-parameter family from extreme-value theory -- as a diagnostic framework for element-wise weight magnitude distributions in transformers. At initialization, i.i.d. Gaussian weights give |w| ~ HalfNormal, yielding k ~ 1.20 via middle-80% probability-plot fit (the protocol used throughout this work). This anchor makes k a principled, architecture-independent measuring stick for training dynamics; fitting each weight matrix independently at every layer at every checkpoint enables per-component, per-layer, and per-step diagnostics that aggregate statistics cannot resolve. Applying this framework to 12 model entries spanning 7 architectural families (Pythia, OLMo-1/2, LLaMA-3, Mistral, Qwen2.5/3) reveals three findings. First, FFN modules and the attention output projection W_o -- the Transmission Class -- fall in a narrow k band: median terminal k in [1.186, 1.204] across 12 entries (cross-family CV = 0.51%), shared across SwiGLU/GeLU activations, Pre-LN/QK-Norm placements, and 70M-14B sizes. Second, the attention input projections W_q, W_k -- the Selection Class -- depart from the Weibull family, with severity shaped by storage: separately-stored Q/K (OLMo-1, OLMo-2) yields k in [0.76, 0.99] (deep); GQA models yield k in [1.10, 1.16] (mild); Pythia's merged W_qkv occupies a transitional zone tracking training budget T/tau monotonically. Third, lambda grows substantially during training and scales with sqrt(eta/lambda_wd) within the Pythia family (Pearson r = 0.94, three Transmission kinds), directionally consistent with Fan et al. (2025). The two parameters carry independent information: k labels the functional class, lambda labels training progress. We release npm-weibull-py v0.4 (Python library) and DATABASE_v9_1 at https://github.com/tiexinding/NPM-Weibull-public .

Feature learning is widely regarded as the key mechanism distinguishing neural networks from fixed-kernel methods, yet its impact on the induced function space remains poorly understood. In this work, we precisely characterize how the function space spanned by the features of a two-layer neural network evolves during gradient descent training. We prove that, in the high-dimensional proportional regime, after a large gradient step the post-update feature distribution is well approximated by a target-dependent spiked Gaussian covariance. This induces a data-adaptive kernel that reshapes the function space and modifies its spectral structure. Our analysis reveals that feature learning can be interpreted as a distributional transformation in either parameter space or input space, equivalently as the introduction of a target-dependent kernel. In particular, it selectively amplifies eigenvalues aligned with the target direction and mixes leading eigenfunctions, coupling the top radial mode with a target-aligned quadratic harmonic. Overall, our results provide a precise function-space perspective on early-stage feature learning: rather than just rescaling a fixed kernel, gradient descent induces a data-adaptive deformation that preferentially enhances directions aligned with the signal in the data.

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

One of the major limits of kernel ridge regression (KRR) is that storing and manipulating the kernel matrix K_n for n samples requires O(n^2) space, which rapidly becomes unfeasible for large n. Nystrom approximations reduce the space complexity to O(nm) by sampling m columns from K_n. Uniform sampling preserves KRR accuracy (up to epsilon) only when m is proportional to the maximum degree of freedom of K_n, which may require O(n) columns for datasets with high coherence. Sampling columns according to their ridge leverage scores (RLS) gives accurate Nystrom approximations with m proportional to the effective dimension, but computing exact RLS also requires O(n^2) space. (Calandriello et al. 2016) propose INK-Estimate, an algorithm that processes the dataset incrementally and updates RLS, effective dimension, and Nystrom approximations on-the-fly. Its space complexity scales with the effective dimension but introduces a dependency on the largest eigenvalue of K_n, which in the worst case is O(n). In this paper we introduce SQUEAK, a new algorithm that builds on INK-Estimate but uses unnormalized RLS. As a consequence, the algorithm is simpler, does not need to estimate the effective dimension for normalization, and achieves a space complexity that is only a constant factor worse than exact RLS sampling.

This paper studies Kernel density estimation for a high-dimensional distribution rho(x). Traditional approaches have focused on the limit of large number of data points n and fixed dimension d. We analyze instead the regime where both the number n of data points y_i and their dimensionality d grow with a fixed ratio alpha=(log n)/d. Our study reveals three distinct statistical regimes for the kernel-based estimate of the density hat rho_h^{D}(x)=1{n h^d}sum_{i=1}^n Kleft(x-y_i{h}right), depending on the bandwidth h: a classical regime for large bandwidth where the Central Limit Theorem (CLT) holds, which is akin to the one found in traditional approaches. Below a certain value of the bandwidth, h_{CLT}(alpha), we find that the CLT breaks down. The statistics of hat rho_h^{D}(x) for a fixed x drawn from rho(x) is given by a heavy-tailed distribution (an alpha-stable distribution). In particular below a value h_G(alpha), we find that hat rho_h^{D}(x) is governed by extreme value statistics: only a few points in the database matter and give the dominant contribution to the density estimator. We provide a detailed analysis for high-dimensional multivariate Gaussian data. We show that the optimal bandwidth threshold based on Kullback-Leibler divergence lies in the new statistical regime identified in this paper. Our findings reveal limitations of classical approaches, show the relevance of these new statistical regimes, and offer new insights for Kernel density estimation in high-dimensional settings.

While the Transformer architecture has achieved remarkable success across various domains, a thorough theoretical foundation explaining its optimization dynamics is yet to be fully developed. In this study, we aim to bridge this understanding gap by answering the following two core questions: (1) Which types of Transformer architectures allow Gradient Descent (GD) to achieve guaranteed convergence? and (2) Under what initial conditions and architectural specifics does the Transformer achieve rapid convergence during training? By analyzing the loss landscape of a single Transformer layer using Softmax and Gaussian attention kernels, our work provides concrete answers to these questions. Our findings demonstrate that, with appropriate weight initialization, GD can train a Transformer model (with either kernel type) to achieve a global optimal solution, especially when the input embedding dimension is large. Nonetheless, certain scenarios highlight potential pitfalls: training a Transformer using the Softmax attention kernel may sometimes lead to suboptimal local solutions. In contrast, the Gaussian attention kernel exhibits a much favorable behavior. Our empirical study further validate the theoretical findings.

Large kernels make standard convolutional neural networks (CNNs) great again over transformer architectures in various vision tasks. Nonetheless, recent studies meticulously designed around increasing kernel size have shown diminishing returns or stagnation in performance. Thus, the hidden factors of large kernel convolution that affect model performance remain unexplored. In this paper, we reveal that the key hidden factors of large kernels can be summarized as two separate components: extracting features at a certain granularity and fusing features by multiple pathways. To this end, we leverage the multi-path long-distance sparse dependency relationship to enhance feature utilization via the proposed Shiftwise (SW) convolution operator with a pure CNN architecture. In a wide range of vision tasks such as classification, segmentation, and detection, SW surpasses state-of-the-art transformers and CNN architectures, including SLaK and UniRepLKNet. More importantly, our experiments demonstrate that 3 times 3 convolutions can replace large convolutions in existing large kernel CNNs to achieve comparable effects, which may inspire follow-up works. Code and all the models at https://github.com/lidc54/shift-wiseConv.

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

We present Flash-GMM, a fused Triton kernel for efficient computation of Gaussian Mixture Models (GMMs) over large-scale data in a single GPU pass. By eliminating the need to materialize the full responsibility matrix in GPU memory, Flash-GMM achieves a 20times speedup over existing implementations and enables training on datasets more than 100times larger than previously feasible on one device. To demonstrate its impact, we integrate Flash-GMM into the IVF coarse quantizer for approximate nearest-neighbor (ANN) search. We show that soft GMM clustering is now a viable drop-in replacement for k-means, and that GMM responsibilities can be leveraged to assign border vectors to multiple clusters. Our approach reaches fixed recall targets with up to 1.7times fewer distance computations, or equivalently, yields +2--12 recall@10 at matched computational cost. We release the kernel as an open-source project.

Optimizing GPU kernels is critical for efficient modern machine learning systems yet remains challenging due to the complex interplay of design factors and rapid hardware evolution. Existing automated approaches typically treat Large Language Models (LLMs) merely as stochastic code generators within heuristic-guided evolutionary loops. These methods often struggle with complex kernels requiring coordinated, multi-step structural transformations, as they lack explicit planning capabilities and frequently discard promising strategies due to inefficient or incorrect intermediate implementations. To address this, we propose Search via Co-Evolving World Model and build K-Search based on this method. By replacing static search heuristics with a co-evolving world model, our framework leverages LLMs' prior domain knowledge to guide the search, actively exploring the optimization space. This approach explicitly decouples high-level algorithmic planning from low-level program instantiation, enabling the system to navigate non-monotonic optimization paths while remaining resilient to temporary implementation defects. We evaluate K-Search on diverse, complex kernels from FlashInfer, including GQA, MLA, and MoE kernels. Our results show that K-Search significantly outperforms state-of-the-art evolutionary search methods, achieving an average 2.10x improvement and up to a 14.3x gain on complex MoE kernels. On the GPUMode TriMul task, K-Search achieves state-of-the-art performance on H100, reaching 1030us and surpassing both prior evolution and human-designed solutions.

The automatic generation of deep learning (DL) kernels using large language models (LLMs) has emerged as a promising approach to reduce the manual effort and hardware-specific expertise required for writing high-performance operator implementations. However, existing benchmarks for evaluating LLMs in this domain suffer from limited hardware support, coarse-grained kernel categorization, and imbalanced task coverage. To address these limitations, we introduce MultiKernelBench, the first comprehensive, multi-platform benchmark for LLM-based DL kernel generation. MultiKernelBench spans 285 tasks across 14 well-defined kernel categories and supports three major hardware platforms: Nvidia GPUs, Huawei NPUs, and Google TPUs. To enable future extensibility, we design a modular backend abstraction layer that decouples platform-specific logic from the core benchmarking infrastructure, allowing easy integration of new hardware platforms. We further propose a simple yet effective category-aware one-shot prompting method that improves generation quality by providing in-category exemplars. Through systematic evaluations of seven state-of-the-art LLMs, we reveal significant variation in task difficulty, poor generalization to platforms with less training exposure, and the effectiveness of targeted prompting strategies. MultiKernelBench is publicly available at https://github.com/wzzll123/MultiKernelBench.

The ability of an architecture to realize permutations is quite fundamental. For example, Large Language Models need to be able to correctly copy (and perhaps rearrange) parts of the input prompt into the output. Classical universal approximation theorems guarantee the existence of parameter configurations that solve this task but offer no insights into whether gradient-based algorithms can find them. In this paper, we address this gap by focusing on two-layer fully connected feed-forward neural networks and the task of learning permutations on nonzero binary inputs. We show that in the infinite width Neural Tangent Kernel (NTK) regime, an ensemble of such networks independently trained with gradient descent on only the k standard basis vectors out of 2^k - 1 possible inputs successfully learns any fixed permutation of length k with arbitrarily high probability. By analyzing the exact training dynamics, we prove that the network's output converges to a Gaussian process whose mean captures the ground truth permutation via sign-based features. We then demonstrate how averaging these runs (an "ensemble" method) and applying a simple rounding step yields an arbitrarily accurate prediction on any possible input unseen during training. Notably, the number of models needed to achieve exact learning with high probability (which we refer to as ensemble complexity) exhibits a linearithmic dependence on the input size k for a single test input and a quadratic dependence when considering all test inputs simultaneously.

This paper proposes the paradigm of large convolutional kernels in designing modern Convolutional Neural Networks (ConvNets). We establish that employing a few large kernels, instead of stacking multiple smaller ones, can be a superior design strategy. Our work introduces a set of architecture design guidelines for large-kernel ConvNets that optimize their efficiency and performance. We propose the UniRepLKNet architecture, which offers systematical architecture design principles specifically crafted for large-kernel ConvNets, emphasizing their unique ability to capture extensive spatial information without deep layer stacking. This results in a model that not only surpasses its predecessors with an ImageNet accuracy of 88.0%, an ADE20K mIoU of 55.6%, and a COCO box AP of 56.4% but also demonstrates impressive scalability and performance on various modalities such as time-series forecasting, audio, point cloud, and video recognition. These results indicate the universal modeling abilities of large-kernel ConvNets with faster inference speed compared with vision transformers. Our findings reveal that large-kernel ConvNets possess larger effective receptive fields and a higher shape bias, moving away from the texture bias typical of smaller-kernel CNNs. All codes and models are publicly available at https://github.com/AILab-CVC/UniRepLKNet promoting further research and development in the community.

Recent advances in vision transformers (ViTs) have demonstrated the advantage of global modeling capabilities, prompting widespread integration of large-kernel convolutions for enlarging the effective receptive field (ERF). However, the quadratic scaling of parameter count and computational complexity (FLOPs) with respect to kernel size poses significant efficiency and optimization challenges. This paper introduces RecConv, a recursive decomposition strategy that efficiently constructs multi-frequency representations using small-kernel convolutions. RecConv establishes a linear relationship between parameter growth and decomposing levels which determines the effective kernel size ktimes 2^ell for a base kernel k and ell levels of decomposition, while maintaining constant FLOPs regardless of the ERF expansion. Specifically, RecConv achieves a parameter expansion of only ell+2 times and a maximum FLOPs increase of 5/3 times, compared to the exponential growth (4^ell) of standard and depthwise convolutions. RecNeXt-M3 outperforms RepViT-M1.1 by 1.9 AP^{box} on COCO with similar FLOPs. This innovation provides a promising avenue towards designing efficient and compact networks across various modalities. Codes and models can be found at https://github.com/suous/RecNeXt.

Attention for transformers is a critical workload that has recently received significant "attention" as a target for custom acceleration. Yet, while prior work succeeds in reducing attention's memory-bandwidth requirements, it creates load imbalance between attention operators (resulting in severe compute under-utilization) and requires on-chip memory that scales with sequence length (which is expected to grow over time). This paper ameliorates these issues, enabling attention with nearly 100% compute utilization, no off-chip memory traffic bottlenecks, and on-chip buffer size requirements that are independent of sequence length. The main conceptual contribution is to use a recently proposed abstraction -- the cascade of Einsums -- to describe, formalize and taxonomize the space of attention algorithms that appear in the literature. In particular, we show how Einsum cascades can be used to infer non-trivial lower bounds on the number of passes a kernel must take through its input data, which has implications for either required on-chip buffer capacity or memory traffic. We show how this notion can be used to meaningfully divide the space of attention algorithms into several categories and use these categories to inform our design process. Based on the above characterization, we propose FuseMax -- a novel mapping of attention onto a spatial array-style architecture. On attention, in an iso-area comparison, FuseMax achieves an average 6.7times speedup over the prior state-of-the-art FLAT while using 79% of the energy. Similarly, on the full end-to-end transformer inference, FuseMax achieves an average 5.3times speedup over FLAT using 83% of the energy.

We propose a goodness-of-fit measure for probability densities modeling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel Stein discrepancy (KSD), which has been used to construct goodness-of-fit tests for unnormalized densities. The KSD is defined by its Stein operator: current operators used in testing apply to fixed-dimensional spaces. As our main contribution, we extend the KSD to the variable-dimension setting by identifying appropriate Stein operators, and propose a novel KSD goodness-of-fit test. As with the previous variants, the proposed KSD does not require the density to be normalized, allowing the evaluation of a large class of models. Our test is shown to perform well in practice on discrete sequential data benchmarks.

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

The majority of recent state-of-the-art speaker verification architectures adopt multi-scale processing and frequency-channel attention mechanisms. Convolutional layers of these models typically have a fixed kernel size, e.g., 3 or 5. In this study, we further contribute to this line of research utilising a selective kernel attention (SKA) mechanism. The SKA mechanism allows each convolutional layer to adaptively select the kernel size in a data-driven fashion. It is based on an attention mechanism which exploits both frequency and channel domain. We first apply existing SKA module to our baseline. Then we propose two SKA variants where the first variant is applied in front of the ECAPA-TDNN model and the other is combined with the Res2net backbone block. Through extensive experiments, we demonstrate that our two proposed SKA variants consistently improves the performance and are complementary when tested on three different evaluation protocols.

The self-attention mechanism utilizes large implicit weight matrices, programmed through dot product-based activations with very few trainable parameters, to enable long sequence modeling. In this paper, we investigate the possibility of discarding residual learning by employing large implicit kernels to achieve full context interaction at each layer of the network. To accomplish it, we introduce coordinate-based implicit MLPs as a slow network to generate hyper-kernels for another fast convolutional network. To get context-varying weights for fast dynamic encoding, we propose a HyperZ{cdotZ{cdot}W} operator that connects hyper-kernels (W) and hidden activations (Z) through simple elementwise multiplication, followed by convolution of Z using the context-dependent W. Based on this design, we present a novel Terminator architecture that integrates hyper-kernels of different sizes to produce multi-branch hidden representations for enhancing the feature extraction capability of each layer. Additionally, a bottleneck layer is employed to compress the concatenated channels, allowing only valuable information to propagate to the subsequent layers. Notably, our model incorporates several innovative components and exhibits excellent properties, such as introducing local feedback error for updating the slow network, stable zero-mean features, faster training convergence, and fewer model parameters. Extensive experimental results on pixel-level 1D and 2D image classification benchmarks demonstrate the superior performance of our architecture.

Neighborhood attention reduces the cost of self attention by restricting each token's attention span to its nearest neighbors. This restriction, parameterized by a window size and dilation factor, draws a spectrum of possible attention patterns between linear projection and self attention. Neighborhood attention, and more generally sliding window attention patterns, have long been bounded by infrastructure, particularly in higher-rank spaces (2-D and 3-D), calling for the development of custom kernels, which have been limited in either functionality, or performance, if not both. In this work, we first show that neighborhood attention can be represented as a batched GEMM problem, similar to standard attention, and implement it for 1-D and 2-D neighborhood attention. These kernels on average provide 895% and 272% improvement in full precision latency compared to existing naive kernels for 1-D and 2-D neighborhood attention respectively. We find certain inherent inefficiencies in all unfused neighborhood attention kernels that bound their performance and lower-precision scalability. We also developed fused neighborhood attention; an adaptation of fused dot-product attention kernels that allow fine-grained control over attention across different spatial axes. Known for reducing the quadratic time complexity of self attention to a linear complexity, neighborhood attention can now enjoy a reduced and constant memory footprint, and record-breaking half precision latency. We observe that our fused kernels successfully circumvent some of the unavoidable inefficiencies in unfused implementations. While our unfused GEMM-based kernels only improve half precision performance compared to naive kernels by an average of 496% and 113% in 1-D and 2-D problems respectively, our fused kernels improve naive kernels by an average of 1607% and 581% in 1-D and 2-D problems respectively.

Recently, in the super-resolution (SR) domain, transformers have outperformed CNNs with fewer FLOPs and fewer parameters since they can deal with long-range dependency and adaptively adjust weights based on instance. In this paper, we demonstrate that CNNs, although less focused on in the current SR domain, surpass Transformers in direct efficiency measures. By incorporating the advantages of Transformers into CNNs, we aim to achieve both computational efficiency and enhanced performance. However, using a large kernel in the SR domain, which mainly processes large images, incurs a large computational overhead. To overcome this, we propose novel approaches to employing the large kernel, which can reduce latency by 86\% compared to the naive large kernel, and leverage an Element-wise Attention module to imitate instance-dependent weights. As a result, we introduce Partial Large Kernel CNNs for Efficient Super-Resolution (PLKSR), which achieves state-of-the-art performance on four datasets at a scale of times4, with reductions of 68.1\% in latency and 80.2\% in maximum GPU memory occupancy compared to SRFormer-light.

Following the success of dot-product attention in Transformers, numerous approximations have been recently proposed to address its quadratic complexity with respect to the input length. However, all approximations thus far have ignored the contribution of the value vectors to the quality of approximation. In this work, we argue that research efforts should be directed towards approximating the true output of the attention sub-layer, which includes the value vectors. We propose a value-aware objective, and show theoretically and empirically that an optimal approximation of a value-aware objective substantially outperforms an optimal approximation that ignores values, in the context of language modeling. Moreover, we show that the choice of kernel function for computing attention similarity can substantially affect the quality of sparse approximations, where kernel functions that are less skewed are more affected by the value vectors.

Standard LLM distillation wastes compute on two fronts: problems the student has already mastered (near-zero gradients) and problems far beyond its reach (incoherent gradients that erode existing capabilities). We show that this waste is not merely intuitive but structurally inevitable: the gradient signal-to-noise ratio in distillation provably vanishes at both pass-rate extremes. This theoretical observation leads to Paced, a framework that concentrates distillation on the zone of proximal development -- the frontier of a student model's competence -- via a principled pass-rate weight w(p) = p^α(1 - p)^β derived from the boundary-vanishing structure of distillation gradients. Key results: (1) Theory: We prove that the Beta kernel w(p) = p^α(1-p)^β is a leading-order weight family arising from the SNR structure of distillation, and that it is minimax-robust -- under bounded multiplicative misspecification, worst-case efficiency loss is only O(δ^2). (2)Distillation: On distillation from a larger teacher to a smaller student model with forward KL, Paced achieves significant gain over the base model, while keeping benchmark forgetting at a low level. (3)Self-distillation: On instruction-tuned models with reverse KL, gains are exceeding baselines as well. (4)Two-stage synergy: A forward-KL-then-reverse-KL schedule yields the strongest results in our setting, reaching substantial improvements on standard reasoning benchmarks -- supporting a mode-coverage-then-consolidation interpretation of the distillation process. All configurations require only student rollouts to estimate pass rates, need no architectural changes, and are compatible with any KL direction.

In the misspecified kernel ridge regression problem, researchers usually assume the underground true function f_{rho}^{*} in [H]^{s}, a less-smooth interpolation space of a reproducing kernel Hilbert space (RKHS) H for some sin (0,1). The existing minimax optimal results require |f_{rho}^{*}|_{L^{infty}}<infty which implicitly requires s > alpha_{0} where alpha_{0}in (0,1) is the embedding index, a constant depending on H. Whether the KRR is optimal for all sin (0,1) is an outstanding problem lasting for years. In this paper, we show that KRR is minimax optimal for any sin (0,1) when the H is a Sobolev RKHS.

Kernelized Stein discrepancy (KSD) is a score-based discrepancy widely used in goodness-of-fit tests. It can be applied even when the target distribution has an unknown normalising factor, such as in Bayesian analysis. We show theoretically and empirically that the KSD test can suffer from low power when the target and the alternative distributions have the same well-separated modes but differ in mixing proportions. We propose to perturb the observed sample via Markov transition kernels, with respect to which the target distribution is invariant. This allows us to then employ the KSD test on the perturbed sample. We provide numerical evidence that with suitably chosen transition kernels the proposed approach can lead to substantially higher power than the KSD test.

Machine learning and quantum computing are two technologies each with the potential for altering how computation is performed to address previously untenable problems. Kernel methods for machine learning are ubiquitous for pattern recognition, with support vector machines (SVMs) being the most well-known method for classification problems. However, there are limitations to the successful solution to such problems when the feature space becomes large, and the kernel functions become computationally expensive to estimate. A core element to computational speed-ups afforded by quantum algorithms is the exploitation of an exponentially large quantum state space through controllable entanglement and interference. Here, we propose and experimentally implement two novel methods on a superconducting processor. Both methods represent the feature space of a classification problem by a quantum state, taking advantage of the large dimensionality of quantum Hilbert space to obtain an enhanced solution. One method, the quantum variational classifier builds on [1,2] and operates through using a variational quantum circuit to classify a training set in direct analogy to conventional SVMs. In the second, a quantum kernel estimator, we estimate the kernel function and optimize the classifier directly. The two methods present a new class of tools for exploring the applications of noisy intermediate scale quantum computers [3] to machine learning.

We study the cost of overfitting in noisy kernel ridge regression (KRR), which we define as the ratio between the test error of the interpolating ridgeless model and the test error of the optimally-tuned model. We take an "agnostic" view in the following sense: we consider the cost as a function of sample size for any target function, even if the sample size is not large enough for consistency or the target is outside the RKHS. We analyze the cost of overfitting under a Gaussian universality ansatz using recently derived (non-rigorous) risk estimates in terms of the task eigenstructure. Our analysis provides a more refined characterization of benign, tempered and catastrophic overfitting (cf. Mallinar et al. 2022).

The goal of this paper is to revisit Kernel Principal Component Analysis (KPCA) through dualization of a difference of convex functions. This allows to naturally extend KPCA to multiple objective functions and leads to efficient gradient-based algorithms avoiding the expensive SVD of the Gram matrix. Particularly, we consider objective functions that can be written as Moreau envelopes, demonstrating how to promote robustness and sparsity within the same framework. The proposed method is evaluated on synthetic and real-world benchmarks, showing significant speedup in KPCA training time as well as highlighting the benefits in terms of robustness and sparsity.

Feature preprocessing continues to play a critical role when applying machine learning and statistical methods to tabular data. In this paper, we propose the use of the kernel density integral transformation as a feature preprocessing step. Our approach subsumes the two leading feature preprocessing methods as limiting cases: linear min-max scaling and quantile transformation. We demonstrate that, without hyperparameter tuning, the kernel density integral transformation can be used as a simple drop-in replacement for either method, offering protection from the weaknesses of each. Alternatively, with tuning of a single continuous hyperparameter, we frequently outperform both of these methods. Finally, we show that the kernel density transformation can be profitably applied to statistical data analysis, particularly in correlation analysis and univariate clustering.

Many learning algorithms such as kernel machines, nearest neighbors, clustering, or anomaly detection, are based on the concept of 'distance' or 'similarity'. Before similarities are used for training an actual machine learning model, we would like to verify that they are bound to meaningful patterns in the data. In this paper, we propose to make similarities interpretable by augmenting them with an explanation in terms of input features. We develop BiLRP, a scalable and theoretically founded method to systematically decompose similarity scores on pairs of input features. Our method can be expressed as a composition of LRP explanations, which were shown in previous works to scale to highly nonlinear functions. Through an extensive set of experiments, we demonstrate that BiLRP robustly explains complex similarity models, e.g. built on VGG-16 deep neural network features. Additionally, we apply our method to an open problem in digital humanities: detailed assessment of similarity between historical documents such as astronomical tables. Here again, BiLRP provides insight and brings verifiability into a highly engineered and problem-specific similarity model.

Deep convolutional neural networks (DCNNs) have become the state-of-the-art (SOTA) approach for many computer vision tasks: image classification, object detection, semantic segmentation, etc. However, most SOTA networks are too large for edge computing. Here, we suggest a simple way to reduce the number of trainable parameters and thus the memory footprint: sharing kernels between multiple convolutional layers. Kernel-sharing is only possible between ``isomorphic" layers, i.e.layers having the same kernel size, input and output channels. This is typically the case inside each stage of a DCNN. Our experiments on CIFAR-10 and CIFAR-100, using the ConvMixer and SE-ResNet architectures show that the number of parameters of these models can drastically be reduced with minimal cost on accuracy. The resulting networks are appealing for certain edge computing applications that are subject to severe memory constraints, and even more interesting if leveraging "frozen weights" hardware accelerators. Kernel-sharing is also an efficient regularization method, which can reduce overfitting. The codes are publicly available at https://github.com/AlirezaAzadbakht/kernel-sharing.

We develop a unified mathematical framework for certified Top-k attention truncation that quantifies approximation error at both the distribution and output levels. For a single attention distribution P and its Top-k truncation hat P, we show that the total-variation distance coincides with the discarded softmax tail mass and satisfies TV(P,hat P)=1-e^{-KL(hat PVert P)}, yielding sharp Top-k-specific bounds in place of generic inequalities. From this we derive non-asymptotic deterministic bounds -- from a single boundary gap through multi-gap and blockwise variants -- that control TV(P,hat P) using only the ordered logits. Using an exact head-tail decomposition, we prove that the output error factorizes as |Attn(q,K,V)-Attn_k(q,K,V)|_2=τ|μ_{tail}-μ_{head}|_2 with τ=TV(P,hat P), yielding a new head-tail diameter bound |Attn(q,K,V)-Attn_k(q,K,V)|_2leτ,diam_{H,T} and refinements linking the error to Var_P(V). Under an i.i.d. Gaussian score model s_isimmathcal N(μ,σ^2) we derive closed-form tail masses and an asymptotic rule for the minimal k_varepsilon ensuring TV(P,hat P)levarepsilon, namely k_varepsilon/napproxΦ_c(σ+Φ^{-1}(varepsilon)). Experiments on bert-base-uncased and synthetic logits confirm the predicted scaling of k_varepsilon/n and show that certified Top-k can reduce scored keys by 2-4times on average while meeting the prescribed total-variation budget.

GPU kernels are the workhorse of modern deep learning, and optimizing them (via evolutionary search or coding agents) usually requires repeated measurement on target hardware. While these measurements provide the ground-truth signal necessary for kernel search, they are costly, because each evaluation of a kernel requires compilation and repeated execution on a GPU. As improvements in LLM inference reduce the cost of writing novel kernels and LLM-driven searches scale to large search budgets, on-device evaluation becomes a bottleneck. To address this, we study how LLMs can serve as selective GPU surrogates for kernel evaluation, by forecasting the performance of proposed kernels. A useful surrogate should be accurate, and it should be selective, by knowing when it could be wrong, and deferring to the GPU. To evaluate surrogates, we measure whether their forecasts are accurate, calibrated, and practically useful for recovering fast kernels under limited GPU-measurement budgets. Next, we study whether reinforcement learning can improve forecast accuracy and confidence calibration. Our experiments demonstrate that LLMs can accurately forecast relative kernel performance, that their utility can be improved through reinforcement learning. Used inside a kernel search, the surrogate lets the search consider several times as many candidates under the same GPU evaluation budget, and that leads to finding faster kernels than an equal-budget baseline. These results suggest that LLMs can play a broader role in kernel optimization, by acting as virtual models of a GPU rather than solely as kernel generators for search.

The size and compute characteristics of modern large language models have led to an increased interest in developing specialized kernels tailored for training and inference. Existing kernels primarily optimize for compute utilization, targeting the large-batch training and inference settings. However, low-batch inference, where memory bandwidth and kernel launch overheads contribute are significant factors, remains important for many applications of interest such as in edge deployment and latency-sensitive applications. This paper describes FlashFormer, a proof-of-concept kernel for accelerating single-batch inference for transformer-based large language models. Across various model sizes and quantizations settings, we observe nontrivial speedups compared to existing state-of-the-art inference kernels.

State space models (SSMs) have high performance on long sequence modeling but require sophisticated initialization techniques and specialized implementations for high quality and runtime performance. We study whether a simple alternative can match SSMs in performance and efficiency: directly learning long convolutions over the sequence. We find that a key requirement to achieving high performance is keeping the convolution kernels smooth. We find that simple interventions--such as squashing the kernel weights--result in smooth kernels and recover SSM performance on a range of tasks including the long range arena, image classification, language modeling, and brain data modeling. Next, we develop FlashButterfly, an IO-aware algorithm to improve the runtime performance of long convolutions. FlashButterfly appeals to classic Butterfly decompositions of the convolution to reduce GPU memory IO and increase FLOP utilization. FlashButterfly speeds up convolutions by 2.2times, and allows us to train on Path256, a challenging task with sequence length 64K, where we set state-of-the-art by 29.1 points while training 7.2times faster than prior work. Lastly, we introduce an extension to FlashButterfly that learns the coefficients of the Butterfly decomposition, increasing expressivity without increasing runtime. Using this extension, we outperform a Transformer on WikiText103 by 0.2 PPL with 30% fewer parameters.

High-quality kernel is critical for scalable AI systems, and enabling LLMs to generate such code would advance AI development. However, training LLMs for this task requires sufficient data, a robust environment, and the process is often vulnerable to reward hacking and lazy optimization. In these cases, models may hack training rewards and prioritize trivial correctness over meaningful speedup. In this paper, we systematically study reinforcement learning (RL) for kernel generation. We first design KernelGYM, a robust distributed GPU environment that supports reward hacking check, data collection from multi-turn interactions and long-term RL training. Building on KernelGYM, we investigate effective multi-turn RL methods and identify a biased policy gradient issue caused by self-inclusion in GRPO. To solve this, we propose Turn-level Reinforce-Leave-One-Out (TRLOO) to provide unbiased advantage estimation for multi-turn RL. To alleviate lazy optimization, we incorporate mismatch correction for training stability and introduce Profiling-based Rewards (PR) and Profiling-based Rejection Sampling (PRS) to overcome the issue. The trained model, Dr.Kernel-14B, reaches performance competitive with Claude-4.5-Sonnet in Kernelbench. Finally, we study sequential test-time scaling for Dr.Kernel-14B. On the KernelBench Level-2 subset, 31.6% of the generated kernels achieve at least a 1.2x speedup over the Torch reference, surpassing Claude-4.5-Sonnet (26.7%) and GPT-5 (28.6%). When selecting the best candidate across all turns, this 1.2x speedup rate further increases to 47.8%. All resources, including environment, training code, models, and dataset, are included in https://www.github.com/hkust-nlp/KernelGYM.

Going beyond stochastic gradient descent (SGD), what new phenomena emerge in wide neural networks trained by adaptive optimizers like Adam? Here we show: The same dichotomy between feature learning and kernel behaviors (as in SGD) holds for general optimizers as well, including Adam -- albeit with a nonlinear notion of "kernel." We derive the corresponding "neural tangent" and "maximal update" limits for any architecture. Two foundational advances underlie the above results: 1) A new Tensor Program language, NEXORT, that can express how adaptive optimizers process gradients into updates. 2) The introduction of bra-ket notation to drastically simplify expressions and calculations in Tensor Programs. This work summarizes and generalizes all previous results in the Tensor Programs series of papers.

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

We propose a new class of random feature methods for linearizing softmax and Gaussian kernels called hybrid random features (HRFs) that automatically adapt the quality of kernel estimation to provide most accurate approximation in the defined regions of interest. Special instantiations of HRFs lead to well-known methods such as trigonometric (Rahimi and Recht, 2007) or (recently introduced in the context of linear-attention Transformers) positive random features (Choromanski et al., 2021). By generalizing Bochner's Theorem for softmax/Gaussian kernels and leveraging random features for compositional kernels, the HRF-mechanism provides strong theoretical guarantees - unbiased approximation and strictly smaller worst-case relative errors than its counterparts. We conduct exhaustive empirical evaluation of HRF ranging from pointwise kernel estimation experiments, through tests on data admitting clustering structure to benchmarking implicit-attention Transformers (also for downstream Robotics applications), demonstrating its quality in a wide spectrum of machine learning problems.

Linux kernel evolution breaks drivers through API/ABI changes, semantic shifts, and security-hardening updates. We introduce DRIVEBENCH, an executable corpus of kernelrightarrowdriver co-evolution cases, and AUTODRIVER, a closed-loop, LLM-driven system for automating driver maintenance. The system integrates prompt engineering, multi-agent collaboration, static analysis, and iterative validation to ensure that generated patches are not only syntactically correct but also functionally and semantically consistent with kernel conventions. The corpus spans v5.10-v6.10 with 235 validated cases drawn from 612 candidates. In evaluation across 55 cases, AUTODRIVER achieves 56.4% compilation success; QEMU-based boot verification indicates that compiled patches preserve driver initialization in most instances. By releasing DRIVEBENCH and tooling, we enable reproducible research and a practical route to continuous, safe co-evolution of drivers with the Linux kernel.

In LLM inference, the same prompt may yield different outputs across different runs. At the system level, this non-determinism arises from floating-point non-associativity combined with dynamic batching and GPU kernels whose reduction orders vary with batch size. A straightforward way to eliminate non-determinism is to disable dynamic batching during inference, but doing so severely degrades throughput. Another approach is to make kernels batch-invariant; however, this tightly couples determinism to kernel design, requiring new implementations. This coupling also imposes fixed runtime overheads, regardless of how much of the workload actually requires determinism. Inspired by ideas from speculative decoding, we present LLM-42, a scheduling-based approach to enable determinism in LLM inference. Our key observation is that if a sequence is in a consistent state, the next emitted token is likely to be consistent even with dynamic batching. Moreover, most GPU kernels use shape-consistent reductions. Leveraging these insights, LLM-42 decodes tokens using a non-deterministic fast path and enforces determinism via a lightweight verify-rollback loop. The verifier replays candidate tokens under a fixed-shape reduction schedule, commits those that are guaranteed to be consistent across runs, and rolls back those violating determinism. LLM-42 mostly re-uses existing kernels unchanged and incurs overhead only in proportion to the traffic that requires determinism.