Daily Papers

One of the main issues in the OS security is providing trusted code execution in an untrusted environment. During executing, kernel-mode drivers dynamically allocate memory to store and process their data: Windows core kernel structures, users' private information, and sensitive data of third-party drivers. All this data can be tampered with by kernel-mode malware. Attacks on Windows-based computers can cause not just hiding a malware driver, process privilege escalation, and stealing private data but also failures of industrial CNC machines. Windows built-in security and existing approaches do not provide the integrity and confidentiality of the allocated memory of third-party drivers. The proposed hypervisor-based system (AllMemPro) protects allocated data from being modified or stolen. AllMemPro prevents access to even 1 byte of allocated data, adapts for newly allocated memory in real time, and protects the driver without its source code. AllMemPro works well on newest Windows 10 1709 x64.

Windows OS is facing a huge rise in kernel attacks. An overview of popular techniques that result in loading kernel drivers will be presented. One of the key targets of modern threats is disabling and blinding Microsoft Defender, a default Windows AV. The analysis of recent driver-based attacks will be given, the challenge is to block them. The survey of user- and kernel-level attacks on Microsoft Defender will be given. One of the recently published attackers techniques abuses Mandatory Integrity Control (MIC) and Security Reference Monitor (SRM) by modifying Integrity Level and Debug Privileges for the Microsoft Defender via syscalls. However, this user-mode attack can be blocked via the Windows 'trust labels' mechanism. The presented paper discovered the internals of MIC and SRM, including the analysis of Microsoft Defender during malware detection. We show how attackers can attack Microsoft Defender using a kernel-mode driver. This driver modifies the fields of the Token structure allocated for the Microsoft Defender application. The presented attack resulted in disabling Microsoft Defender, without terminating any of its processes and without triggering any Windows security features, such as PatchGuard. The customized hypervisor-based solution named MemoryRanger was used to protect the Windows Defender kernel structures. The experiments show that MemoryRanger successfully restricts access to the sensitive kernel data from illegal access attempts with affordable performance degradation.

Volatile memory dump and its analysis is an essential part of digital forensics. Among a number of various software and hardware approaches for memory dumping there are authors who point out that some of these approaches are not resilient to various anti-forensic techniques, and others that require a reboot or are highly platform dependent. New resilient tools have certain disadvantages such as low speed or vulnerability to rootkits which directly manipulate kernel structures e.g. page tables. A new memory forensic system - Malware Analysis System for Hidden Knotty Anomalies (MASHKA) is described in this paper. It is resilient to popular anti-forensic techniques. The system can be used for doing a wide range of memory forensics tasks. This paper describes how to apply the system for research and detection of kernel mode rootkits and also presents analysis of the most popular anti-rootkit tools.

Windows OS kernel memory is one of the main targets of cyber-attacks. By launching such attacks, hackers are succeeding in process privilege escalation and tampering with users data by accessing kernel mode memory. This paper considers a new example of such an attack, which results in access to the files opened in an exclusive mode. Windows built-in security features prevent such legal access, but attackers can circumvent them by patching dynamically allocated objects. The research shows that the Windows 10, version 1809 x64 is vulnerable to this attack. The paper provides an example of using MemoryRanger, a hypervisor-based solution to prevent such attack by running kernel-mode drivers in isolated kernel memory enclaves.

Both biological and artificial neural networks inherently balance their performance with their operational cost, which balances their computational abilities. Typically, an efficient neuromorphic neural network is one that learns representations that reduce the redundancies and dimensionality of its input. This is for instance achieved in sparse coding, and sparse representations derived from natural images yield representations that are heterogeneous, both in their sampling of input features and in the variance of those features. Here, we investigated the connection between natural images' structure, particularly oriented features, and their corresponding sparse codes. We showed that representations of input features scattered across multiple levels of variance substantially improve the sparseness and resilience of sparse codes, at the cost of reconstruction performance. This echoes the structure of the model's input, allowing to account for the heterogeneously aleatoric structures of natural images. We demonstrate that learning kernel from natural images produces heterogeneity by balancing between approximate and dense representations, which improves all reconstruction metrics. Using a parametrized control of the kernels' heterogeneity used by a convolutional sparse coding algorithm, we show that heterogeneity emphasizes sparseness, while homogeneity improves representation granularity. In a broader context, these encoding strategy can serve as inputs to deep convolutional neural networks. We prove that such variance-encoded sparse image datasets enhance computational efficiency, emphasizing the benefits of kernel heterogeneity to leverage naturalistic and variant input structures and possible applications to improve the throughput of neuromorphic hardware.

The goal of this thesis is to investigate the structural properties of certain sequential problems in order to bring the solutions closer to a practical use. In the first part, we put a special emphasis on structures that can be represented as graphs on actions. In the second part, we study the large action spaces that can be of exponential size in the number of base actions or even infinite. For graph bandits, we consider the settings of smoothness of rewards (spectral bandits), side observations, and influence maximization. For large structured domains, we cover kernel bandits, polymatroid bandits, bandits for function optimization (including unknown smoothness), and infinitely many-arms bandits. The thesis aspires to be a survey of the author's contributions on graph and structured bandits.

We propose a spherical kernel for efficient graph convolution of 3D point clouds. Our metric-based kernels systematically quantize the local 3D space to identify distinctive geometric relationships in the data. Similar to the regular grid CNN kernels, the spherical kernel maintains translation-invariance and asymmetry properties, where the former guarantees weight sharing among similar local structures in the data and the latter facilitates fine geometric learning. The proposed kernel is applied to graph neural networks without edge-dependent filter generation, making it computationally attractive for large point clouds. In our graph networks, each vertex is associated with a single point location and edges connect the neighborhood points within a defined range. The graph gets coarsened in the network with farthest point sampling. Analogous to the standard CNNs, we define pooling and unpooling operations for our network. We demonstrate the effectiveness of the proposed spherical kernel with graph neural networks for point cloud classification and semantic segmentation using ModelNet, ShapeNet, RueMonge2014, ScanNet and S3DIS datasets. The source code and the trained models can be downloaded from https://github.com/hlei-ziyan/SPH3D-GCN.

Programming language processing (similar to natural language processing) is a hot research topic in the field of software engineering; it has also aroused growing interest in the artificial intelligence community. However, different from a natural language sentence, a program contains rich, explicit, and complicated structural information. Hence, traditional NLP models may be inappropriate for programs. In this paper, we propose a novel tree-based convolutional neural network (TBCNN) for programming language processing, in which a convolution kernel is designed over programs' abstract syntax trees to capture structural information. TBCNN is a generic architecture for programming language processing; our experiments show its effectiveness in two different program analysis tasks: classifying programs according to functionality, and detecting code snippets of certain patterns. TBCNN outperforms baseline methods, including several neural models for NLP.

Strategies for the generation of periodic discrete structures with identical two-point correlation are developed. Starting from a pair of root structures, which are not related by translation, phase inversion or axis reflections, child structures of arbitrary resolution (i.e., pixel or voxel numbers) and number of phases (i.e., material phases/species) can be generated by means of trivial embedding based phase extension, application of kernels and/or phase coalescence, such that the generated structures inherit the two-point-correlation equivalence. Proofs of the inheritance property are provided by means of the Discrete Fourier Transform theory. A Python 3 implementation of the results is offered by the authors through the Github repository https://github.com/DataAnalyticsEngineering/EQ2PC in order to make the provided results reproducible and useful for all interested readers. Examples for the generation of structures are demonstrated, together with applications in the homogenization theory of periodic media.

A biological neural network in the cortex forms a neural field. Neurons in the field have their own receptive fields, and connection weights between two neurons are random but highly correlated when they are in close proximity in receptive fields. In this paper, we investigate such neural fields in a multilayer architecture to investigate the supervised learning of the fields. We empirically compare the performances of our field model with those of randomly connected deep networks. The behavior of a randomly connected network is investigated on the basis of the key idea of the neural tangent kernel regime, a recent development in the machine learning theory of over-parameterized networks; for most randomly connected neural networks, it is shown that global minima always exist in their small neighborhoods. We numerically show that this claim also holds for our neural fields. In more detail, our model has two structures: i) each neuron in a field has a continuously distributed receptive field, and ii) the initial connection weights are random but not independent, having correlations when the positions of neurons are close in each layer. We show that such a multilayer neural field is more robust than conventional models when input patterns are deformed by noise disturbances. Moreover, its generalization ability can be slightly superior to that of conventional models.

One of the main issues in the OS security is to provide trusted code execution in an untrusted environment. During executing, kernel-mode drivers allocate and process memory data: OS internal structures, users private information, and sensitive data of third-party drivers. All this data and the drivers code can be tampered with by kernel-mode malware. Microsoft security experts integrated new features to fill this gap, but they are not enough: allocated data can be stolen and patched and the drivers code can be dumped without any security reaction. The proposed hypervisor-based system (MemoryRanger) tackles this issue by executing drivers in separate kernel enclaves with specific memory attributes. MemoryRanger protects code and data using Intel VT-x and EPT features with low performance degradation on Windows 10 x64.

We introduce a framework for learning continuous neural representations of formal specifications by distilling the geometry of their semantics into a latent space. Existing approaches rely either on symbolic kernels -- which preserve behavioural semantics but are computationally prohibitive, anchor-dependent, and non-invertible -- or on syntax-based neural embeddings that fail to capture underlying structures. Our method bridges this gap: using a teacher-student setup, we distill a symbolic robustness kernel into a Transformer encoder. Unlike standard contrastive methods, we supervise the model with a continuous, kernel-weighted geometric alignment objective that penalizes errors in proportion to their semantic discrepancies. Once trained, the encoder produces embeddings in a single forward pass, effectively mimicking the kernel's logic at a fraction of its computational cost. We apply our framework to Signal Temporal Logic (STL), demonstrating that the resulting neural representations faithfully preserve the semantic similarity of STL formulae, accurately predict robustness and constraint satisfaction, and remain intrinsically invertible. Our proposed approach enables highly efficient, scalable neuro-symbolic reasoning and formula reconstruction without repeated kernel computation at runtime.

Image denoising is a fundamental challenge in computer vision, with applications in photography and medical imaging. While deep learning-based methods have shown remarkable success, their reliance on specific noise distributions limits generalization to unseen noise types and levels. Existing approaches attempt to address this with extensive training data and high computational resources but they still suffer from overfitting. To address these issues, we conduct image denoising by utilizing dynamically generated kernels via efficient operations. This approach helps prevent overfitting and improves resilience to unseen noise. Specifically, our method leverages a Feature Extraction Module for robust noise-invariant features, Global Statistics and Local Correlation Modules to capture comprehensive noise characteristics and structural correlations. The Kernel Prediction Module then employs these cues to produce pixel-wise varying kernels adapted to local structures, which are then applied iteratively for denoising. This ensures both efficiency and superior restoration quality. Despite being trained on single-level Gaussian noise, our compact model (~ 0.04 M) excels across diverse noise types and levels, demonstrating the promise of iterative dynamic filtering for practical image denoising.

We introduce IntFold, a controllable foundation model for both general and specialized biomolecular structure prediction. IntFold demonstrates predictive accuracy comparable to the state-of-the-art AlphaFold3, while utilizing a superior customized attention kernel. Beyond standard structure prediction, IntFold can be adapted to predict allosteric states, constrained structures, and binding affinity through the use of individual adapters. Furthermore, we introduce a novel confidence head to estimate docking quality, offering a more nuanced assessment for challenging targets such as antibody-antigen complexes. Finally, we share insights gained during the training process of this computationally intensive model.

Linear transformers aim to reduce the quadratic space-time complexity of vanilla transformers. However, they usually suffer from degraded performances on various tasks and corpus. In this paper, we examine existing kernel-based linear transformers and identify two key issues that lead to such performance gaps: 1) unbounded gradients in the attention computation adversely impact the convergence of linear transformer models; 2) attention dilution which trivially distributes attention scores over long sequences while neglecting neighbouring structures. To address these issues, we first identify that the scaling of attention matrices is the devil in unbounded gradients, which turns out unnecessary in linear attention as we show theoretically and empirically. To this end, we propose a new linear attention that replaces the scaling operation with a normalization to stabilize gradients. For the issue of attention dilution, we leverage a diagonal attention to confine attention to only neighbouring tokens in early layers. Benefiting from the stable gradients and improved attention, our new linear transformer model, transNormer, demonstrates superior performance on text classification and language modeling tasks, as well as on the challenging Long-Range Arena benchmark, surpassing vanilla transformer and existing linear variants by a clear margin while being significantly more space-time efficient. The code is available at https://github.com/OpenNLPLab/Transnormer .

High-resolution (HR) medical videos are vital for accurate diagnosis, yet are hard to acquire due to hardware limitations and physiological constraints. Clinically, the collected low-resolution (LR) medical videos present unique challenges for video super-resolution (VSR) models, including camera shake, noise, and abrupt frame transitions, which result in significant optical flow errors and alignment difficulties. Additionally, tissues and organs exhibit continuous and nuanced structures, but current VSR models are prone to introducing artifacts and distorted features that can mislead doctors. To this end, we propose MedVSR, a tailored framework for medical VSR. It first employs Cross State-Space Propagation (CSSP) to address the imprecise alignment by projecting distant frames as control matrices within state-space models, enabling the selective propagation of consistent and informative features to neighboring frames for effective alignment. Moreover, we design an Inner State-Space Reconstruction (ISSR) module that enhances tissue structures and reduces artifacts with joint long-range spatial feature learning and large-kernel short-range information aggregation. Experiments across four datasets in diverse medical scenarios, including endoscopy and cataract surgeries, show that MedVSR significantly outperforms existing VSR models in reconstruction performance and efficiency. Code released at https://github.com/CUHK-AIM-Group/MedVSR.

The purpose of this study is to evaluate the possibility of implementing an attack on ALPC connection in the Windows operating system through the kernel without closing the connection covertly from programs and the operating system and to propose a method of protection against this type of attacks. Asynchronous Local Procedure Call technology (ALPC) is used in various Windows information protection systems, including antivirus systems (AV) and Endpoint Detection and Response systems (EDR). To ensure the concealment of malicious software, attackers need to disrupt the operation of AV, EDR tools, which in turn can be achieved by destructive impact on the components of the ALPC technology. Examples of such attacks already exist and are covered in this paper. To counteract such new threats, it is necessary to advance the improvement of information security systems and the ALPC security research was conducted. The most difficult case, Windows kernel driver attack, was considered. Three attacks on the ALPC connection were carried out, based on changing the ALPC structures in the kernel memory, which led to creation of illegitimate connections in the system and the disruption of correct connections. ALPChecker protection tool has been developed. The tool was successfully tested on three demonstrated attacks.

Vision-Language Models (VLMs) achieve strong multimodal performance but are costly to deploy, and post-training quantization often causes significant accuracy loss. Despite its potential, quantization-aware training for VLMs remains underexplored. We propose GRACE, a framework unifying knowledge distillation and QAT under the Information Bottleneck principle: quantization constrains information capacity while distillation guides what to preserve within this budget. Treating the teacher as a proxy for task-relevant information, we introduce confidence-gated decoupled distillation to filter unreliable supervision, relational centered kernel alignment to transfer visual token structures, and an adaptive controller via Lagrangian relaxation to balance fidelity against capacity constraints. Across extensive benchmarks on LLaVA and Qwen families, our INT4 models consistently outperform FP16 baselines (e.g., LLaVA-1.5-7B: 70.1 vs. 66.8 on SQA; Qwen2-VL-2B: 76.9 vs. 72.6 on MMBench), nearly matching teacher performance. Using real INT4 kernel, we achieve 3times throughput with 54% memory reduction. This principled framework significantly outperforms existing quantization methods, making GRACE a compelling solution for resource-constrained deployment.

AI agents are increasingly deployed in multi-tenant cloud environments, where they execute diverse tool calls within sandboxed containers, each call with distinct resource demands and rapid fluctuations. We present a systematic characterization of OS-level resource dynamics in sandboxed AI coding agents, analyzing 144 software engineering tasks from the SWE-rebench benchmark across two LLM models. Our measurements reveal that (1) OS-level execution (tool calls, container and agent initialization) accounts for 56-74% of end-to-end task latency; (2) memory, not CPU, is the concurrency bottleneck; (3) memory spikes are tool-call-driven with a up to 15.4x peak-to-average ratio; and (4) resource demands are highly unpredictable across tasks, runs, and models. Comparing these characteristics against serverless, microservice, and batch workloads, we identify three mismatches in existing resource controls: a granularity mismatch (container-level policies vs. tool-call-level dynamics), a responsiveness mismatch (user-space reaction vs. sub-second unpredictable bursts), and an adaptability mismatch (history-based prediction vs. non-deterministic stateful execution). We propose AgentCgroup, an intent-driven eBPF-based resource controller that exploits agents ability to declare resource needs and reconstruct execution strategies, using hierarchical cgroup structures aligned with tool-call boundaries, in-kernel enforcement via sched_ext and memcg_bpf_ops, and runtime-adaptive policies. Preliminary evaluation demonstrates improved multi-tenant isolation and reduced resource waste. AgentCgroup is open-source at https://github.com/eunomia-bpf/agentcgroup

High-performance GPU kernels are critical to modern machine learning systems, yet developing them remains a manual, expert-driven process. Recent work has explored using LLMs to automate kernel generation, but generated kernels still fall short of carefully tuned references on standardized benchmarks. We present CuTeGen, an agentic GPU kernel synthesis framework that treats kernel development as a structured generate-test-refine workflow over the CuTe abstraction layer. Two design choices distinguish CuTeGen from prior work: targeting CuTe rather than raw CUDA, which exposes performance-critical structures such as tiling and data movement while remaining stable enough for iterative refinement, and a delayed profiling schedule that withholds low-level performance feedback until the kernel's high-level structure has stabilized. On the 209 tasks of KernelBench Level-1 and Level-2, CuTeGen achieves an average speedup of 1.71times over PyTorch and outperforms the prior agentic baseline CudaForge (0.89times) at comparable per-task generation cost. Code available at https://github.com/taratt/cutegen.git

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.

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.

Quantum kernels are among the most promising methods in quantum machine learning, providing a natural way to embed data into high-dimensional Hilbert spaces via quantum circuits and capturing non-linear relationships in data. Their learning behaviour is governed by the function class they represent, which is formally characterized by the structure of the associated Reproducing Kernel Hilbert Space (RKHS). However, a theoretical characterization of this function class, and of how it depends on the choice of feature map and its hyperparameters, is still lacking. In this work, we focus on the Instantaneous Quantum Polynomial (IQP) feature map and derive a Fourier representation of the associated RKHS generators as finite sums of trigonometric functions evaluated on polynomially transformed input variables, with a finite set of accessible frequencies determined by the circuit construction and scaled by the bandwidth hyperparameter. This representation identifies three bandwidth regimes with qualitatively distinct expressive properties from localised, through multimodal, to periodic. Numerical experiments on synthetic datasets with controlled periodic and multimodal structure, across data dimensions and feature-map configurations, reproduce the three regimes in both supervised classification and unsupervised anomaly detection, benchmarked against a classical Gaussian kernel. These results make the relationship between expressivity and data structure explicit for IQP kernels: expressive power translates into a practical benefit only when the accessible frequencies match with the structure of the data, which provides a criterion for selecting the bandwidth when the periodic or multimodal structure of data is known.

Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We describe and categorize graph kernels based on properties inherent to their design, such as the nature of their extracted graph features, their method of computation and their applicability to problems in practice. In an extensive experimental evaluation, we study the classification accuracy of a large suite of graph kernels on established benchmarks as well as new datasets. We compare the performance of popular kernels with several baseline methods and study the effect of applying a Gaussian RBF kernel to the metric induced by a graph kernel. In doing so, we find that simple baselines become competitive after this transformation on some datasets. Moreover, we study the extent to which existing graph kernels agree in their predictions (and prediction errors) and obtain a data-driven categorization of kernels as result. Finally, based on our experimental results, we derive a practitioner's guide to kernel-based graph classification.

The optimization of expensive-to-evaluate black-box functions is prevalent in various scientific disciplines. Bayesian optimization is an automatic, general and sample-efficient method to solve these problems with minimal knowledge of the underlying function dynamics. However, the ability of Bayesian optimization to incorporate prior knowledge or beliefs about the function at hand in order to accelerate the optimization is limited, which reduces its appeal for knowledgeable practitioners with tight budgets. To allow domain experts to customize the optimization routine, we propose ColaBO, the first Bayesian-principled framework for incorporating prior beliefs beyond the typical kernel structure, such as the likely location of the optimizer or the optimal value. The generality of ColaBO makes it applicable across different Monte Carlo acquisition functions and types of user beliefs. We empirically demonstrate ColaBO's ability to substantially accelerate optimization when the prior information is accurate, and to retain approximately default performance when it is misleading.

Artificial Intelligence and Machine learning have been widely used in various fields of mathematical computing, physical modeling, computational science, communication science, and stochastic analysis. Approaches based on Deep Artificial Neural Networks (DANN) are very popular in our days. Depending on the learning task, the exact form of DANNs is determined via their multi-layer architecture, activation functions and the so-called loss function. However, for a majority of deep learning approaches based on DANNs, the kernel structure of neural signal processing remains the same, where the node response is encoded as a linear superposition of neural activity, while the non-linearity is triggered by the activation functions. In the current paper, we suggest to analyze the neural signal processing in DANNs from the point of view of homogeneous chaos theory as known from polynomial chaos expansion (PCE). From the PCE perspective, the (linear) response on each node of a DANN could be seen as a 1^{st} degree multi-variate polynomial of single neurons from the previous layer, i.e. linear weighted sum of monomials. From this point of view, the conventional DANN structure relies implicitly (but erroneously) on a Gaussian distribution of neural signals. Additionally, this view revels that by design DANNs do not necessarily fulfill any orthogonality or orthonormality condition for a majority of data-driven applications. Therefore, the prevailing handling of neural signals in DANNs could lead to redundant representation as any neural signal could contain some partial information from other neural signals. To tackle that challenge, we suggest to employ the data-driven generalization of PCE theory known as arbitrary polynomial chaos (aPC) to construct a corresponding multi-variate orthonormal representations on each node of a DANN to obtain Deep arbitrary polynomial chaos neural networks.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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).

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.

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.

We study an algorithm-independent, worst-case lower bound for the Gaussian process (GP) bandit problem in the frequentist setting, where the reward function is fixed and has a bounded norm in the known reproducing kernel Hilbert space (RKHS). Specifically, we focus on the squared exponential (SE) kernel, one of the most widely used kernel functions in GP bandits. One of the remaining open questions for this problem is the gap in the dimension-dependent logarithmic factors between upper and lower bounds. This paper partially resolves this open question under a hyperspherical input domain. We show that any algorithm suffers Ω(T (ln T)^{d (ln ln T)^{-d}}) cumulative regret, where T and d represent the total number of steps and the dimension of the hyperspherical domain, respectively. Regarding the simple regret, we show that any algorithm requires Ω(ε^{-2}(ln 1ε)^d (ln ln 1ε)^{-d}) time steps to find an ε-optimal point. We also provide the improved O((ln T)^{d+1}(ln ln T)^{-d}) upper bound on the maximum information gain for the SE kernel. Our results guarantee the optimality of the existing best algorithm up to dimension-independent logarithmic factors under a hyperspherical input domain.

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.

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.

Past decades have witnessed a great interest in the distinction and connection between neural network learning and kernel learning. Recent advancements have made theoretical progress in connecting infinite-wide neural networks and Gaussian processes. Two predominant approaches have emerged: the Neural Network Gaussian Process (NNGP) and the Neural Tangent Kernel (NTK). The former, rooted in Bayesian inference, represents a zero-order kernel, while the latter, grounded in the tangent space of gradient descents, is a first-order kernel. In this paper, we present the Unified Neural Kernel (UNK), which {is induced by the inner product of produced variables and characterizes the learning dynamics of neural networks with gradient descents and parameter initialization.} The proposed UNK kernel maintains the limiting properties of both NNGP and NTK, exhibiting behaviors akin to NTK with a finite learning step and converging to NNGP as the learning step approaches infinity. Besides, we also theoretically characterize the uniform tightness and learning convergence of the UNK kernel, providing comprehensive insights into this unified kernel. Experimental results underscore the effectiveness of our proposed method.

We present Kernel Point Convolution (KPConv), a new design of point convolution, i.e. that operates on point clouds without any intermediate representation. The convolution weights of KPConv are located in Euclidean space by kernel points, and applied to the input points close to them. Its capacity to use any number of kernel points gives KPConv more flexibility than fixed grid convolutions. Furthermore, these locations are continuous in space and can be learned by the network. Therefore, KPConv can be extended to deformable convolutions that learn to adapt kernel points to local geometry. Thanks to a regular subsampling strategy, KPConv is also efficient and robust to varying densities. Whether they use deformable KPConv for complex tasks, or rigid KPconv for simpler tasks, our networks outperform state-of-the-art classification and segmentation approaches on several datasets. We also offer ablation studies and visualizations to provide understanding of what has been learned by KPConv and to validate the descriptive power of deformable KPConv.

This paper investigates efficient deep neural networks (DNNs) to replace dense unstructured weight matrices with structured ones that possess desired properties. The challenge arises because the optimal weight matrix structure in popular neural network models is obscure in most cases and may vary from layer to layer even in the same network. Prior structured matrices proposed for efficient DNNs were mostly hand-crafted without a generalized framework to systematically learn them. To address this issue, we propose a generalized and differentiable framework to learn efficient structures of weight matrices by gradient descent. We first define a new class of structured matrices that covers a wide range of structured matrices in the literature by adjusting the structural parameters. Then, the frequency-domain differentiable parameterization scheme based on the Gaussian-Dirichlet kernel is adopted to learn the structural parameters by proximal gradient descent. On the image and language tasks, our method learns efficient DNNs with structured matrices, achieving lower complexity and/or higher performance than prior approaches that employ low-rank, block-sparse, or block-low-rank matrices.

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

The kernel of a binary code containing the zero word partitions the binary coordinates into blocks, two coordinates lying in the same block when every kernel word takes the same value in both, and the kernel-block rank profile is the multiset of the dimensions of its linear span punctured on those blocks. For the family H^{t_1,t_2,t_3} of Z_2Z_4Z_8-linear Hadamard codes, this invariant is known explicitly and gives a complete classification of the family. In this paper, we compute it for the Z_2Z_4-linear and Z_{2^s}-linear Hadamard families with which those codes are compared, and we prove that it is constant for every nonlinear Z_2Z_4-linear Hadamard code and for every nonlinear Z_{2^s}-linear Hadamard code bar H^{a_1,dots,a_s} with sgeq2. The second statement is obtained without any rank formula, by exhibiting coordinate permutations that preserve the code and act transitively on its kernel blocks, which makes the argument uniform in s. We also prove a descent theorem: if bar H^{a_1,dots,a_s} is nonlinear and a_1geq2, then the code punctured on one kernel block is the Z_{2^{s-1}}-linear Hadamard code bar H^{a_1,dots,a_{s-1}}. Consequently, the constant local rank equals rank(bar H^{a_1,dots,a_{s-1}}) and is at least t-κ+2, where 2^t is the length and κ the kernel dimension. These results separate every nonlinear Z_2Z_4Z_8-linear Hadamard code from every Z_4-linear, Z_2Z_4-linear and Z_{2^s}-linear Hadamard code of the same length, except for the single infinite family H^{1,1,t-4} and bar H^{2,0,t-5} with tgeq5. The members of this infinite family agree in the rank, kernel dimension and the kernel-block rank profile, but a two-block refinement separates them.

Despite the growing popularity of explainable and interpretable machine learning, there is still surprisingly limited work on inherently interpretable clustering methods. Recently, there has been a surge of interest in explaining the classic k-means algorithm, leading to efficient algorithms that approximate k-means clusters using axis-aligned decision trees. However, interpretable variants of k-means have limited applicability in practice, where more flexible clustering methods are often needed to obtain useful partitions of the data. In this work, we investigate interpretable kernel clustering, and propose algorithms that construct decision trees to approximate the partitions induced by kernel k-means, a nonlinear extension of k-means. We further build on previous work on explainable k-means and demonstrate how a suitable choice of features allows preserving interpretability without sacrificing approximation guarantees on the interpretable model.

The Transformer architecture has achieved tremendous success in natural language processing, computer vision, and scientific computing through its self-attention mechanism. However, its core components-positional encoding and attention mechanisms-have lacked a unified physical or mathematical interpretation. This paper proposes a structural theoretical framework that integrates positional encoding, kernel integral operators, and attention mechanisms for in-depth theoretical investigation. We map discrete positions (such as text token indices and image pixel coordinates) to spatial functions on continuous manifolds, enabling a field-theoretic interpretation of Transformer layers as kernel-modulated operators acting over embedded manifolds.

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.

This paper considers the design of nonlinear data-enabled predictive control (DeePC) using kernel functions. Compared with existing methods that use kernels to parameterize multi-step predictors for nonlinear DeePC, we adopt a novel, operator-based approach. More specifically, we employ a universal product kernel parameterization of nonlinear systems operators as a prediction mechanism for nonlinear DeePC. We show that by using a product reproducing kernel Hilbert space (RKHS) to learn the system trajectories, big data sets can be handled effectively to construct the corresponding product Gram matrix. Moreover, we show that the structure of the adopted product RKHS representation allows for a computationally efficient DeePC formulation. Compared to existing methods, our approach achieves substantially faster computation times for the same data size. This allows for the use of much larger data sets and enhanced control performance.

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.

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

We 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 basic idea of quantum computing is surprisingly similar to that of kernel methods in machine learning, namely to efficiently perform computations in an intractably large Hilbert space. In this paper we explore some theoretical foundations of this link and show how it opens up a new avenue for the design of quantum machine learning algorithms. We interpret the process of encoding inputs in a quantum state as a nonlinear feature map that maps data to quantum Hilbert space. A quantum computer can now analyse the input data in this feature space. Based on this link, we discuss two approaches for building a quantum model for classification. In the first approach, the quantum device estimates inner products of quantum states to compute a classically intractable kernel. This kernel can be fed into any classical kernel method such as a support vector machine. In the second approach, we can use a variational quantum circuit as a linear model that classifies data explicitly in Hilbert space. We illustrate these ideas with a feature map based on squeezing in a continuous-variable system, and visualise the working principle with 2-dimensional mini-benchmark datasets.

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.

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.

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.

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.

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.

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.

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.

Kernel continual learning by derakhshani2021kernel has recently emerged as a strong continual learner due to its non-parametric ability to tackle task interference and catastrophic forgetting. Unfortunately its success comes at the expense of an explicit memory to store samples from past tasks, which hampers scalability to continual learning settings with a large number of tasks. In this paper, we introduce generative kernel continual learning, which explores and exploits the synergies between generative models and kernels for continual learning. The generative model is able to produce representative samples for kernel learning, which removes the dependence on memory in kernel continual learning. Moreover, as we replay only on the generative model, we avoid task interference while being computationally more efficient compared to previous methods that need replay on the entire model. We further introduce a supervised contrastive regularization, which enables our model to generate even more discriminative samples for better kernel-based classification performance. We conduct extensive experiments on three widely-used continual learning benchmarks that demonstrate the abilities and benefits of our contributions. Most notably, on the challenging SplitCIFAR100 benchmark, with just a simple linear kernel we obtain the same accuracy as kernel continual learning with variational random features for one tenth of the memory, or a 10.1\% accuracy gain for the same memory budget.

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.

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.

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.

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.

Linux kernel is a huge code base with enormous number of subsystems and possible configuration options that results in unmanageable complexity of elaborating an efficient configuration. Machine Learning (ML) is approach/area of learning from data, finding patterns, and making predictions without implementing algorithms by developers that can introduce a self-evolving capability in Linux kernel. However, introduction of ML approaches in Linux kernel is not easy way because there is no direct use of floating-point operations (FPU) in kernel space and, potentially, ML models can be a reason of significant performance degradation in Linux kernel. Paper suggests the ML infrastructure architecture in Linux kernel that can solve the declared problem and introduce of employing ML models in kernel space. Suggested approach of kernel ML library has been implemented as Proof Of Concept (PoC) project with the goal to demonstrate feasibility of the suggestion and to design the interface of interaction the kernel-space ML model proxy and the ML model user-space thread.

The traditional kernel density estimator of an unknown density is by construction completely nonparametric, in the sense that it has no preferences and will work reasonably well for all shapes. The present paper develops a class of semiparametric methods that are designed to work better than the kernel estimator in a broad nonparametric neighbourhood of a given parametric class of densities, for example the normal, while not losing much in precision when the true density is far from the parametric class. The idea is to multiply an initial parametric density estimate with a kernel type estimate of the necessary correction factor. This works well in cases where the correction factor function is less rough than the original density itself. Extensive comparisons with the kernel estimator are carried out, including exact analysis for the class of all normal mixtures. The new method, with a normal start, wins quite often, even in many cases where the true density is far from normal. Procedures for choosing the smoothing parameter of the estimator are also discussed. The new estimator should be particularly useful in higher dimensions, where the usual nonparametric methods have problems. The idea is also spelled out for nonparametric regression.

We investigate a general-purpose layer for deep learning that, instead of compressing arbitrary-size training data into fixed-size weight matrices, stores a new pair of key-value representations for every data point during training, and retrieves and recombines these representations through an attention mechanism at inference time - resulting in a growing neural net (NN). While Irie et al. (arXiv:2202.05798) have put forward this perspective from the classic duality expressing any linear layer in a deep NN trained by gradient descent as linear attention (LA) over the training data points, replacing LA by more powerful attention functions, as they suggest, turns out to be non-trivial: we show that naively applying learning rules from the LA case to advanced kernels does not lead to principled optimization. Here we fill this gap and develop functional gradient-based learning rules for kernelized attention layers, based on radial basis function (RBF) and softmax-like kernels - establishing the principled "retrieval-centric deep learning" (RCDL) paradigm. Empirically, we demonstrate the promising performance and learning-efficiency of RCDL on image classification and synthetic teacher-student learning tasks. Moreover, we show that replacing LA in the dual form of NNs by advanced LA variants, namely MesaNet/DeltaNet, yields a formal connection to recently proposed optimizers for conventional fixed-size NNs, offering a novel perspective on deep learning optimization.

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.

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.

Recent advances have discussed cell complexes as ideal learning representations. However, there is a lack of available machine learning methods suitable for learning on CW complexes. In this paper, we derive an explicit expression for the Wasserstein distance between cell complex signal distributions in terms of a Hodge-Laplacian matrix. This leads to a structurally meaningful measure to compare CW complexes and define the optimal transportation map. In order to simultaneously include both feature and structure information, we extend the Fused Gromov-Wasserstein distance to CW complexes. Finally, we introduce novel kernels over the space of probability measures on CW complexes based on the dual formulation of optimal transport.

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.

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.

Recent research on remote sensing object detection has largely focused on improving the representation of oriented bounding boxes but has overlooked the unique prior knowledge presented in remote sensing scenarios. Such prior knowledge can be useful because tiny remote sensing objects may be mistakenly detected without referencing a sufficiently long-range context, and the long-range context required by different types of objects can vary. In this paper, we take these priors into account and propose the Large Selective Kernel Network (LSKNet). LSKNet can dynamically adjust its large spatial receptive field to better model the ranging context of various objects in remote sensing scenarios. To the best of our knowledge, this is the first time that large and selective kernel mechanisms have been explored in the field of remote sensing object detection. Without bells and whistles, LSKNet sets new state-of-the-art scores on standard benchmarks, i.e., HRSC2016 (98.46\% mAP), DOTA-v1.0 (81.85\% mAP) and FAIR1M-v1.0 (47.87\% mAP). Based on a similar technique, we rank 2nd place in 2022 the Greater Bay Area International Algorithm Competition. Code is available at https://github.com/zcablii/Large-Selective-Kernel-Network.

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

Black box optimisation of an unknown function from expensive and noisy evaluations is a ubiquitous problem in machine learning, academic research and industrial production. An abstraction of the problem can be formulated as a kernel based bandit problem (also known as Bayesian optimisation), where a learner aims at optimising a kernelized function through sequential noisy observations. The existing work predominantly assumes feedback is immediately available; an assumption which fails in many real world situations, including recommendation systems, clinical trials and hyperparameter tuning. We consider a kernel bandit problem under stochastically delayed feedback, and propose an algorithm with mathcal{O}(Gamma_k(T)T+E[tau]) regret, where T is the number of time steps, Gamma_k(T) is the maximum information gain of the kernel with T observations, and tau is the delay random variable. This represents a significant improvement over the state of the art regret bound of mathcal{O}(Gamma_k(T)T+E[tau]Gamma_k(T)) reported in Verma et al. (2022). In particular, for very non-smooth kernels, the information gain grows almost linearly in time, trivializing the existing results. We also validate our theoretical results with simulations.

Tangles were originally introduced as a concept to formalize regions of high connectivity in graphs. In recent years, they have also been discovered as a link between structural graph theory and data science: when interpreting similarity in data sets as connectivity between points, finding clusters in the data essentially amounts to finding tangles in the underlying graphs. This paper further explores the potential of tangles in data sets as a means for a formal study of clusters. Real-world data often follow a normal distribution. Accounting for this, we develop a quantitative theory of tangles in data sets drawn from Gaussian mixtures. To this end, we equip the data with a graph structure that models similarity between the points and allows us to apply tangle theory to the data. We provide explicit conditions under which tangles associated with the marginal Gaussian distributions exist asymptotically almost surely. This can be considered as a sufficient formal criterion for the separabability of clusters in the data.

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.

We present a simple picture of the training process of joint embedding self-supervised learning methods. We find that these methods learn their high-dimensional embeddings one dimension at a time in a sequence of discrete, well-separated steps. We arrive at this conclusion via the study of a linearized model of Barlow Twins applicable to the case in which the trained network is infinitely wide. We solve the training dynamics of this model from small initialization, finding that the model learns the top eigenmodes of a certain contrastive kernel in a stepwise fashion, and obtain a closed-form expression for the final learned representations. Remarkably, we then see the same stepwise learning phenomenon when training deep ResNets using the Barlow Twins, SimCLR, and VICReg losses. Our theory suggests that, just as kernel regression can be thought of as a model of supervised learning, kernel PCA may serve as a useful model of self-supervised learning.

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.

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.

Markov categories are a recent categorical approach to the mathematical foundations of probability and statistics. Here, this approach is advanced by stating and proving equivalent conditions for second-order stochastic dominance, a widely used way of comparing probability distributions by their spread. Furthermore, we lay foundation for the theory of comparing statistical experiments within Markov categories by stating and proving the classical Blackwell-Sherman-Stein Theorem. Our version not only offers new insight into the proof, but its abstract nature also makes the result more general, automatically specializing to the standard Blackwell-Sherman-Stein Theorem in measure-theoretic probability as well as a Bayesian version that involves prior-dependent garbling. Along the way, we define and characterize representable Markov categories, within which one can talk about Markov kernels to or from spaces of distributions. We do so by exploring the relation between Markov categories and Kleisli categories of probability monads.

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.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Temporal point processes (TPP) are a natural tool for modeling event-based data. Among all TPP models, Hawkes processes have proven to be the most widely used, mainly due to their adequate modeling for various applications, particularly when considering exponential or non-parametric kernels. Although non-parametric kernels are an option, such models require large datasets. While exponential kernels are more data efficient and relevant for specific applications where events immediately trigger more events, they are ill-suited for applications where latencies need to be estimated, such as in neuroscience. This work aims to offer an efficient solution to TPP inference using general parametric kernels with finite support. The developed solution consists of a fast ell_2 gradient-based solver leveraging a discretized version of the events. After theoretically supporting the use of discretization, the statistical and computational efficiency of the novel approach is demonstrated through various numerical experiments. Finally, the method's effectiveness is evaluated by modeling the occurrence of stimuli-induced patterns from brain signals recorded with magnetoencephalography (MEG). Given the use of general parametric kernels, results show that the proposed approach leads to an improved estimation of pattern latency than the state-of-the-art.

Contemporary models of high dimensional physical systems are constrained by the curse of dimensionality and a reliance on dense data. We introduce KHRONOS (Kernel Expansion Hierarchy for Reduced Order, Neural Optimized Surrogates), an AI framework for model based, model free and model inversion tasks. KHRONOS constructs continuously differentiable target fields with a hierarchical composition of per-dimension kernel expansions, which are tensorized into modes and then superposed. We evaluate KHRONOS on a canonical 2D, Poisson equation benchmark: across 16 to 512 degrees of freedom (DoFs), it obtained L_2-square errors of 5e-4 down to 6e-11. This represents a greater than 100-fold gain over Kolmogorov Arnold Networks (which itself reports a 100 times improvement on MLPs/PINNs with 100 times fewer parameters) when controlling for the number of parameters. This also represents a 1e6-fold improvement in L_2-square error compared to standard linear FEM at comparable DoFs. Inference complexity is dominated by inner products, yielding sub-millisecond full-field predictions that scale to an arbitrary resolution. For inverse problems, KHRONOS facilitates rapid, iterative level set recovery in only a few forward evaluations, with sub-microsecond per sample latency. KHRONOS's scalability, expressivity, and interpretability open new avenues in constrained edge computing, online control, computer vision, and beyond.

We develop a theory of pseudo-differential operators associated with the gyrator transform on modulation spaces. The gyrator transform is a two-dimensional linear canonical transform which can be viewed as a rotation in the time-frequency plane and is closely related to the fractional Fourier transform. Motivated by the global structure of the gyrator kernel, we work with Shubin global symbol classes on R^4. We first recall basic properties of modulation spaces and establish continuity and invertibility of the gyrator transform on these spaces, using its representation as a metaplectic operator. Then we introduce pseudo-differential operators defined via the gyrator transform and a Shubin symbol, and we prove boundedness results on modulation spaces and on gyrator-based modulation-Sobolev spaces. Our work extends and generalises earlier results of Mahato, Arya and Prasad on Schwartz and Sobolev spaces MahatoGyrator to the more flexible framework of modulation spaces.

Inverse inequalities are essential for controlling derivative growth and ensuring stable sampling in kernel approximation. Existing whole-space and single-scale estimates provide an established analytical basis, but their extension to multiscale analytic spaces on finite intervals requires uniform control of boundary effects and cross-scale cancellation. This paper establishes unweighted interval \(L^2\) inverse inequalities for spaces generated by primitives of kernels with positive exponential spectra. By retaining exterior diagonal energy and controlling off-diagonal interactions through one-sided estimates with endpoint-distance weights, we derive uniform coefficient bounds for normalized high derivatives. A synthesis-operator perturbation argument extends these bounds to positive spectral mixtures, while adjacent-derivative comparison and interval interpolation yield an inverse bound of order \(h_*^{-1}\), where \(h_*\) is the smallest scale. Under geometric scale separation and within-scale centre separation, the constant is independent of the number of scales and centres and their distances from the endpoints, allowing endpoint centres and coincident centres across scales. The coefficient lower bound approaches the optimal limit \(1/2\). Two-centre constructions establish the sharpness of the scale exponent for every fixed kernel in the class and, for a single exponential spectrum, a sharp deficit of order \(q^{-1/2}\) from \(1/2\) for the best uniform coefficient lower bound, where \(q\) is the derivative order. Numerical illustrations for Cauchy and logistic kernels demonstrate coefficient stability in several multiscale configurations. These results extend interval inverse estimates to multiscale analytic kernel spaces with endpoint centres and provide quantitative conditions for deterministic sampling stability.

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.

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

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.

From the Bayesian perspective, the category of conditional probabilities (a variant of the Kleisli category of the Giry monad, whose objects are measurable spaces and arrows are Markov kernels) gives a nice framework for conceptualization and analysis of many aspects of machine learning. Using categorical methods, we construct models for parametric and nonparametric Bayesian reasoning on function spaces, thus providing a basis for the supervised learning problem. In particular, stochastic processes are arrows to these function spaces which serve as prior probabilities. The resulting inference maps can often be analytically constructed in this symmetric monoidal weakly closed category. We also show how to view general stochastic processes using functor categories and demonstrate the Kalman filter as an archetype for the hidden Markov model.

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.

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.

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.

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.

Bayes' rule tells us how to invert a causal process in order to update our beliefs in light of new evidence. If the process is believed to have a complex compositional structure, we may observe that the inversion of the whole can be computed piecewise in terms of the component processes. We study the structure of this compositional rule, noting that it relates to the lens pattern in functional programming. Working in a suitably general axiomatic presentation of a category of Markov kernels, we see how we can think of Bayesian inversion as a particular instance of a state-dependent morphism in a fibred category. We discuss the compositional nature of this, formulated as a functor on the underlying category and explore how this can used for a more type-driven approach to statistical inference.

Machine learning on graphs is an important and ubiquitous task with applications ranging from drug design to friendship recommendation in social networks. The primary challenge in this domain is finding a way to represent, or encode, graph structure so that it can be easily exploited by machine learning models. Traditionally, machine learning approaches relied on user-defined heuristics to extract features encoding structural information about a graph (e.g., degree statistics or kernel functions). However, recent years have seen a surge in approaches that automatically learn to encode graph structure into low-dimensional embeddings, using techniques based on deep learning and nonlinear dimensionality reduction. Here we provide a conceptual review of key advancements in this area of representation learning on graphs, including matrix factorization-based methods, random-walk based algorithms, and graph neural networks. We review methods to embed individual nodes as well as approaches to embed entire (sub)graphs. In doing so, we develop a unified framework to describe these recent approaches, and we highlight a number of important applications and directions for future work.

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.

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.

Neural tangent kernels (NTKs) are a powerful tool for analyzing deep, non-linear neural networks. In the infinite-width limit, NTKs can easily be computed for most common architectures, yielding full analytic control over the training dynamics. However, at infinite width, important properties of training such as NTK evolution or feature learning are absent. Nevertheless, finite width effects can be included by computing corrections to the Gaussian statistics at infinite width. We introduce Feynman diagrams for computing finite-width corrections to NTK statistics. These dramatically simplify the necessary algebraic manipulations and enable the computation of layer-wise recursion relations for arbitrary statistics involving preactivations, NTKs and certain higher-derivative tensors (dNTK and ddNTK) required to predict the training dynamics at leading order. We demonstrate the feasibility of our framework by extending stability results for deep networks from preactivations to NTKs and proving the absence of finite-width corrections for scale-invariant nonlinearities such as ReLU on the diagonal of the Gram matrix of the NTK. We numerically implement the complete set of equations necessary to compute the first-order corrections for arbitrary inputs and demonstrate that the results follow the statistics of sampled neural networks for widths ngtrsim 20.

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.

We present a novel method for reconstructing a 3D implicit surface from a large-scale, sparse, and noisy point cloud. Our approach builds upon the recently introduced Neural Kernel Fields (NKF) representation. It enjoys similar generalization capabilities to NKF, while simultaneously addressing its main limitations: (a) We can scale to large scenes through compactly supported kernel functions, which enable the use of memory-efficient sparse linear solvers. (b) We are robust to noise, through a gradient fitting solve. (c) We minimize training requirements, enabling us to learn from any dataset of dense oriented points, and even mix training data consisting of objects and scenes at different scales. Our method is capable of reconstructing millions of points in a few seconds, and handling very large scenes in an out-of-core fashion. We achieve state-of-the-art results on reconstruction benchmarks consisting of single objects, indoor scenes, and outdoor scenes.

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.

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.

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.

We study the problem of teaching multiple learners simultaneously in the nonparametric iterative teaching setting, where the teacher iteratively provides examples to the learner for accelerating the acquisition of a target concept. This problem is motivated by the gap between current single-learner teaching setting and the real-world scenario of human instruction where a teacher typically imparts knowledge to multiple students. Under the new problem formulation, we introduce a novel framework -- Multi-learner Nonparametric Teaching (MINT). In MINT, the teacher aims to instruct multiple learners, with each learner focusing on learning a scalar-valued target model. To achieve this, we frame the problem as teaching a vector-valued target model and extend the target model space from a scalar-valued reproducing kernel Hilbert space used in single-learner scenarios to a vector-valued space. Furthermore, we demonstrate that MINT offers significant teaching speed-up over repeated single-learner teaching, particularly when the multiple learners can communicate with each other. Lastly, we conduct extensive experiments to validate the practicality and efficiency of MINT.

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.

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.

This paper studies kernel ridge regression in high dimensions under covariate shifts and analyzes the role of importance re-weighting. We first derive the asymptotic expansion of high dimensional kernels under covariate shifts. By a bias-variance decomposition, we theoretically demonstrate that the re-weighting strategy allows for decreasing the variance. For bias, we analyze the regularization of the arbitrary or well-chosen scale, showing that the bias can behave very differently under different regularization scales. In our analysis, the bias and variance can be characterized by the spectral decay of a data-dependent regularized kernel: the original kernel matrix associated with an additional re-weighting matrix, and thus the re-weighting strategy can be regarded as a data-dependent regularization for better understanding. Besides, our analysis provides asymptotic expansion of kernel functions/vectors under covariate shift, which has its own interest.

Using a fully Bayesian approach, Gaussian Process regression is extended to include marginalisation over the kernel choice and kernel hyperparameters. In addition, Bayesian model comparison via the evidence enables direct kernel comparison. The calculation of the joint posterior was implemented with a transdimensional sampler which simultaneously samples over the discrete kernel choice and their hyperparameters by embedding these in a higher-dimensional space, from which samples are taken using nested sampling. Kernel recovery and mean function inference were explored on synthetic data from exoplanet transit light curve simulations. Subsequently, the method was extended to marginalisation over mean functions and noise models and applied to the inference of the present-day Hubble parameter, H_0, from real measurements of the Hubble parameter as a function of redshift, derived from the cosmologically model-independent cosmic chronometer and ΛCDM-dependent baryon acoustic oscillation observations. The inferred H_0 values from the cosmic chronometers, baryon acoustic oscillations and combined datasets are H_0= 66 pm 6, km,s^{-1},Mpc^{-1}, H_0= 67 pm 10, km,s^{-1},Mpc^{-1} and H_0= 69 pm 6, km,s^{-1},Mpc^{-1}, respectively. The kernel posterior of the cosmic chronometers dataset prefers a non-stationary linear kernel. Finally, the datasets are shown to be not in tension with ln R=12.17pm 0.02.

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.

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.

Attention-based graph neural networks (GNNs), such as graph attention networks (GATs), have become popular neural architectures for processing graph-structured data and learning node embeddings. Despite their empirical success, these models rely on labeled data and the theoretical properties of these models have yet to be fully understood. In this work, we propose a novel attention-based node embedding framework for graphs. Our framework builds upon a hierarchical kernel for multisets of subgraphs around nodes (e.g. neighborhoods) and each kernel leverages the geometry of a smooth statistical manifold to compare pairs of multisets, by "projecting" the multisets onto the manifold. By explicitly computing node embeddings with a manifold of Gaussian mixtures, our method leads to a new attention mechanism for neighborhood aggregation. We provide theoretical insights into generalizability and expressivity of our embeddings, contributing to a deeper understanding of attention-based GNNs. We propose both efficient unsupervised and supervised methods for learning the embeddings. Through experiments on several node classification benchmarks, we demonstrate that our proposed method outperforms existing attention-based graph models like GATs. Our code is available at https://github.com/BorgwardtLab/fisher_information_embedding.