Daily Papers

Quantum Support Vector Machines face scalability challenges due to high-dimensional quantum states and hardware limitations. We propose an embedding-aware quantum-classical pipeline combining class-balanced k-means distillation with pretrained Vision Transformer embeddings. Our key finding: ViT embeddings uniquely enable quantum advantage, achieving up to 8.02% accuracy improvements over classical SVMs on Fashion-MNIST and 4.42% on MNIST, while CNN features show performance degradation. Using 16-qubit tensor network simulation via cuTensorNet, we provide the first systematic evidence that quantum kernel advantage depends critically on embedding choice, revealing fundamental synergy between transformer attention and quantum feature spaces. This provides a practical pathway for scalable quantum machine learning that leverages modern neural architectures.

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.

Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective quantum feature maps for real-world datasets, particularly in the absence of sufficient prior information, remains a significant obstacle. In this study, we present a data-driven approach that automates the design of problem-specific quantum feature maps. Our approach leverages feature-selection techniques to handle high-dimensional data on near-term quantum machines with limited qubits, and incorporates a deep neural predictor to efficiently evaluate the performance of various candidate quantum kernels. Through extensive numerical simulations on different datasets, we demonstrate the superiority of our proposal over prior methods, especially for the capability of eliminating the kernel concentration issue and identifying the feature map with prediction advantages. Our work not only unlocks the potential of quantum kernels for enhancing real-world tasks but also highlights the substantial role of deep learning in advancing quantum machine learning.

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

Quantum processors may enhance machine learning by mapping high-dimensional data onto quantum systems for processing. Conventional feature maps, for encoding data onto a quantum circuit are currently impractical, as the number of entangling gates scales quadratically with the dimension of the dataset and the number of qubits. In this work, we introduce a quantum feature map designed to handle high-dimensional data with a significantly reduced number of qubits and entangling operations. Our approach preserves essential data characteristics while promoting computational efficiency, as evidenced by extensive experiments on benchmark datasets that demonstrate a marked improvement in both accuracy and resource utilization when using our feature map as a kernel for characterization, as compared to state-of-the-art quantum feature maps. Our noisy simulation results, combined with lower resource requirements, highlight our map's ability to function within the constraints of noisy intermediate-scale quantum devices. Through numerical simulations and small-scale implementation on a superconducting circuit quantum computing platform, we demonstrate that our scheme performs on par or better than a set of classical algorithms for classification. While quantum kernels are typically stymied by exponential concentration, our approach is affected with a slower rate with respect to both the number of qubits and features, which allows practical applications to remain within reach. Our findings herald a promising avenue for the practical implementation of quantum machine learning algorithms on near future quantum computing platforms.

The use of quantum computing for machine learning is among the most exciting prospective applications of quantum technologies. However, machine learning tasks where data is provided can be considerably different than commonly studied computational tasks. In this work, we show that some problems that are classically hard to compute can be easily predicted by classical machines learning from data. Using rigorous prediction error bounds as a foundation, we develop a methodology for assessing potential quantum advantage in learning tasks. The bounds are tight asymptotically and empirically predictive for a wide range of learning models. These constructions explain numerical results showing that with the help of data, classical machine learning models can be competitive with quantum models even if they are tailored to quantum problems. We then propose a projected quantum model that provides a simple and rigorous quantum speed-up for a learning problem in the fault-tolerant regime. For near-term implementations, we demonstrate a significant prediction advantage over some classical models on engineered data sets designed to demonstrate a maximal quantum advantage in one of the largest numerical tests for gate-based quantum machine learning to date, up to 30 qubits.

Broadly applicable quantum advantage, particularly in classical data processing and machine learning, has been a fundamental open problem. In this work, we prove that a small quantum computer of polylogarithmic size can perform large-scale classification and dimension reduction on massive classical data by processing samples on the fly, whereas any classical machine achieving the same prediction performance requires exponentially larger size. Furthermore, classical machines that are exponentially larger yet below the required size need superpolynomially more samples and time. We validate these quantum advantages in real-world applications, including single-cell RNA sequencing and movie review sentiment analysis, demonstrating four to six orders of magnitude reduction in size with fewer than 60 logical qubits. These quantum advantages are enabled by quantum oracle sketching, an algorithm for accessing the classical world in quantum superposition using only random classical data samples. Combined with classical shadows, our algorithm circumvents the data loading and readout bottleneck to construct succinct classical models from massive classical data, a task provably impossible for any classical machine that is not exponentially larger than the quantum machine. These quantum advantages persist even when classical machines are granted unlimited time or if BPP=BQP, and rely only on the correctness of quantum mechanics. Together, our results establish machine learning on classical data as a broad and natural domain of quantum advantage and a fundamental test of quantum mechanics at the complexity frontier.

The discovery of causal relations from observed data has attracted significant interest from disciplines such as economics, social sciences, and biology. In practical applications, considerable knowledge of the underlying systems is often unavailable, and real data are usually associated with nonlinear causal structures, which makes the direct use of most conventional causality analysis methods difficult. This study proposes a novel quantum Peter-Clark (qPC) algorithm for causal discovery that does not require any assumptions about the underlying model structures. Based on conditional independence tests in a class of reproducing kernel Hilbert spaces characterized by quantum circuits, the proposed algorithm can explore causal relations from the observed data drawn from arbitrary distributions. We conducted systematic experiments on fundamental graphs of causal structures, demonstrating that the qPC algorithm exhibits better performance, particularly with smaller sample sizes compared to its classical counterpart. Furthermore, we proposed a novel optimization approach based on Kernel Target Alignment (KTA) for determining hyperparameters of quantum kernels. This method effectively reduced the risk of false positives in causal discovery, enabling more reliable inference. Our theoretical and experimental results demonstrate that the quantum algorithm can empower classical algorithms for accurate inference in causal discovery, supporting them in regimes where classical algorithms typically fail. In addition, the effectiveness of this method was validated using the datasets on Boston housing prices, heart disease, and biological signaling systems as real-world applications. These findings highlight the potential of quantum-based causal discovery methods in addressing practical challenges, particularly in small-sample scenarios, where traditional approaches have shown significant limitations.

Quantum technology has the potential to revolutionize how we acquire and process experimental data to learn about the physical world. An experimental setup that transduces data from a physical system to a stable quantum memory, and processes that data using a quantum computer, could have significant advantages over conventional experiments in which the physical system is measured and the outcomes are processed using a classical computer. We prove that, in various tasks, quantum machines can learn from exponentially fewer experiments than those required in conventional experiments. The exponential advantage holds in predicting properties of physical systems, performing quantum principal component analysis on noisy states, and learning approximate models of physical dynamics. In some tasks, the quantum processing needed to achieve the exponential advantage can be modest; for example, one can simultaneously learn about many noncommuting observables by processing only two copies of the system. Conducting experiments with up to 40 superconducting qubits and 1300 quantum gates, we demonstrate that a substantial quantum advantage can be realized using today's relatively noisy quantum processors. Our results highlight how quantum technology can enable powerful new strategies to learn about nature.

The quantum advantage threshold determines when a quantum processing unit (QPU) is more efficient with respect to classical computing hardware in terms of algorithmic complexity. The "green" quantum advantage threshold - based on a comparison of energetic efficiency between the two - is going to play a fundamental role in the comparison between quantum and classical hardware. Indeed, its characterization would enable better decisions on energy-saving strategies, e.g. for distributing the workload in hybrid quantum-classical algorithms. Here, we show that the green quantum advantage threshold crucially depends on (i) the quality of the experimental quantum gates and (ii) the entanglement generated in the QPU. Indeed, for NISQ hardware and algorithms requiring a moderate amount of entanglement, a classical tensor network emulation can be more energy-efficient at equal final state fidelity than quantum computation. We compute the green quantum advantage threshold for a few paradigmatic examples in terms of algorithms and hardware platforms, and identify algorithms with a power-law decay of singular values of bipartitions - with power-law exponent alpha lesssim 1 - as the green quantum advantage threshold in the near future.

A quantum neural network (QNN) is a parameterized mapping efficiently implementable on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. It can be used for supervised learning when combined with classical gradient-based optimizers. Despite the existing empirical and theoretical investigations, the convergence of QNN training is not fully understood. Inspired by the success of the neural tangent kernels (NTKs) in probing into the dynamics of classical neural networks, a recent line of works proposes to study over-parameterized QNNs by examining a quantum version of tangent kernels. In this work, we study the dynamics of QNNs and show that contrary to popular belief it is qualitatively different from that of any kernel regression: due to the unitarity of quantum operations, there is a non-negligible deviation from the tangent kernel regression derived at the random initialization. As a result of the deviation, we prove the at-most sublinear convergence for QNNs with Pauli measurements, which is beyond the explanatory power of any kernel regression dynamics. We then present the actual dynamics of QNNs in the limit of over-parameterization. The new dynamics capture the change of convergence rate during training and implies that the range of measurements is crucial to the fast QNN convergence.

This work endeavors to juxtapose the efficacy of machine learning algorithms within classical and quantum computational paradigms. Particularly, by emphasizing on Support Vector Machines (SVM), we scrutinize the classification prowess of classical SVM and Quantum Support Vector Machines (QSVM) operational on quantum hardware over the Iris dataset. The methodology embraced encapsulates an extensive array of experiments orchestrated through the Qiskit library, alongside hyperparameter optimization. The findings unveil that in particular scenarios, QSVMs extend a level of accuracy that can vie with classical SVMs, albeit the execution times are presently protracted. Moreover, we underscore that augmenting quantum computational capacity and the magnitude of parallelism can markedly ameliorate the performance of quantum machine learning algorithms. This inquiry furnishes invaluable insights regarding the extant scenario and future potentiality of machine learning applications in the quantum epoch. Colab: https://t.ly/QKuz0

While recent breakthroughs have proven the ability of noisy intermediate-scale quantum (NISQ) devices to achieve quantum advantage in classically-intractable sampling tasks, the use of these devices for solving more practically relevant computational problems remains a challenge. Proposals for attaining practical quantum advantage typically involve parametrized quantum circuits (PQCs), whose parameters can be optimized to find solutions to diverse problems throughout quantum simulation and machine learning. However, training PQCs for real-world problems remains a significant practical challenge, largely due to the phenomenon of barren plateaus in the optimization landscapes of randomly-initialized quantum circuits. In this work, we introduce a scalable procedure for harnessing classical computing resources to provide pre-optimized initializations for PQCs, which we show significantly improves the trainability and performance of PQCs on a variety of problems. Given a specific optimization task, this method first utilizes tensor network (TN) simulations to identify a promising quantum state, which is then converted into gate parameters of a PQC by means of a high-performance decomposition procedure. We show that this learned initialization avoids barren plateaus, and effectively translates increases in classical resources to enhanced performance and speed in training quantum circuits. By demonstrating a means of boosting limited quantum resources using classical computers, our approach illustrates the promise of this synergy between quantum and quantum-inspired models in quantum computing, and opens up new avenues to harness the power of modern quantum hardware for realizing practical quantum advantage.

Quantitative Structure-Activity Relationship (QSAR) modeling is key in drug discovery, but classical methods face limitations when handling high-dimensional data and capturing complex molecular interactions. This research proposes enhancing QSAR techniques through Quantum Support Vector Machines (QSVMs), which leverage quantum computing principles to process information Hilbert spaces. By using quantum data encoding and quantum kernel functions, we aim to develop more accurate and efficient predictive models.

Quantum algorithms offer significant speedups over their classical counterparts for a variety of problems. The strongest arguments for this advantage are borne by algorithms for quantum search, quantum phase estimation, and Hamiltonian simulation, which appear as subroutines for large families of composite quantum algorithms. A number of these quantum algorithms were recently tied together by a novel technique known as the quantum singular value transformation (QSVT), which enables one to perform a polynomial transformation of the singular values of a linear operator embedded in a unitary matrix. In the seminal GSLW'19 paper on QSVT [Gily\'en, Su, Low, and Wiebe, ACM STOC 2019], many algorithms are encompassed, including amplitude amplification, methods for the quantum linear systems problem, and quantum simulation. Here, we provide a pedagogical tutorial through these developments, first illustrating how quantum signal processing may be generalized to the quantum eigenvalue transform, from which QSVT naturally emerges. Paralleling GSLW'19, we then employ QSVT to construct intuitive quantum algorithms for search, phase estimation, and Hamiltonian simulation, and also showcase algorithms for the eigenvalue threshold problem and matrix inversion. This overview illustrates how QSVT is a single framework comprising the three major quantum algorithms, thus suggesting a grand unification of quantum algorithms.

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.

Fault-tolerant quantum computers offer the promise of dramatically improving machine learning through speed-ups in computation or improved model scalability. In the near-term, however, the benefits of quantum machine learning are not so clear. Understanding expressibility and trainability of quantum models-and quantum neural networks in particular-requires further investigation. In this work, we use tools from information geometry to define a notion of expressibility for quantum and classical models. The effective dimension, which depends on the Fisher information, is used to prove a novel generalisation bound and establish a robust measure of expressibility. We show that quantum neural networks are able to achieve a significantly better effective dimension than comparable classical neural networks. To then assess the trainability of quantum models, we connect the Fisher information spectrum to barren plateaus, the problem of vanishing gradients. Importantly, certain quantum neural networks can show resilience to this phenomenon and train faster than classical models due to their favourable optimisation landscapes, captured by a more evenly spread Fisher information spectrum. Our work is the first to demonstrate that well-designed quantum neural networks offer an advantage over classical neural networks through a higher effective dimension and faster training ability, which we verify on real quantum hardware.

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.

When applying quantum computing to machine learning tasks, one of the first considerations is the design of the quantum machine learning model itself. Conventionally, the design of quantum machine learning algorithms relies on the ``quantisation" of classical learning algorithms, such as using quantum linear algebra to implement important subroutines of classical algorithms, if not the entire algorithm, seeking to achieve quantum advantage through possible run-time accelerations brought by quantum computing. However, recent research has started questioning whether quantum advantage via speedup is the right goal for quantum machine learning [1]. Research also has been undertaken to exploit properties that are unique to quantum systems, such as quantum contextuality, to better design quantum machine learning models [2]. In this paper, we take an alternative approach by incorporating the heuristics and empirical evidences from the design of classical deep learning algorithms to the design of quantum neural networks. We first construct a model based on the data reuploading circuit [3] with the quantum Hamiltonian data embedding unitary [4]. Through numerical experiments on images datasets, including the famous MNIST and FashionMNIST datasets, we demonstrate that our model outperforms the quantum convolutional neural network (QCNN)[5] by a large margin (up to over 40% on MNIST test set). Based on the model design process and numerical results, we then laid out six principles for designing quantum machine learning models, especially quantum neural networks.

Gaussian Processes (GPs) are a powerful tool for probabilistic modeling, but their performance is often constrained in complex, largescale real-world domains due to the limited expressivity of classical kernels. Quantum computing offers the potential to overcome this limitation by embedding data into exponentially large Hilbert spaces, capturing complex correlations that remain inaccessible to classical computing approaches. In this paper, we propose a Distributed Quantum Gaussian Process (DQGP) method in a multiagent setting to enhance modeling capabilities and scalability. To address the challenging non-Euclidean optimization problem, we develop a Distributed consensus Riemannian Alternating Direction Method of Multipliers (DR-ADMM) algorithm that aggregates local agent models into a global model. We evaluate the efficacy of our method through numerical experiments conducted on a quantum simulator in classical hardware. We use real-world, non-stationary elevation datasets of NASA's Shuttle Radar Topography Mission and synthetic datasets generated by Quantum Gaussian Processes. Beyond modeling advantages, our framework highlights potential computational speedups that quantum hardware may provide, particularly in Gaussian processes and distributed optimization.

In recent years, machine learning models like DALL-E, Craiyon, and Stable Diffusion have gained significant attention for their ability to generate high-resolution images from concise descriptions. Concurrently, quantum computing is showing promising advances, especially with quantum machine learning which capitalizes on quantum mechanics to meet the increasing computational requirements of traditional machine learning algorithms. This paper explores the integration of quantum machine learning and variational quantum circuits to augment the efficacy of diffusion-based image generation models. Specifically, we address two challenges of classical diffusion models: their low sampling speed and the extensive parameter requirements. We introduce two quantum diffusion models and benchmark their capabilities against their classical counterparts using MNIST digits, Fashion MNIST, and CIFAR-10. Our models surpass the classical models with similar parameter counts in terms of performance metrics FID, SSIM, and PSNR. Moreover, we introduce a consistency model unitary single sampling architecture that combines the diffusion procedure into a single step, enabling a fast one-step image generation.

Quantum generative models use the intrinsic probabilistic nature of quantum mechanics to learn and reproduce complex probability distributions. In this paper, we present an implementation of a 3-qubit quantum circuit Born machine trained to model a 3-bit Gaussian distribution using a Kullback-Leibler (KL) divergence loss and parameter-shift gradient optimization. The variational quantum circuit consists of layers of parameterized rotations and entangling gates, and is optimized such that the Born rule output distribution closely matches the target distribution. We detail the mathematical formulation of the model distribution, the KL divergence cost function, and the parameter-shift rule for gradient evaluation. Training results on a statevector simulator show that the KL divergence is minimized to near zero, and the final generated distribution aligns quantitatively with the target probabilities. We analyze the convergence behavior and discuss the implications for scalability and quantum advantage. Our results demonstrate the feasibility of small-scale quantum generative learning and provide insight into the training dynamics of quantum circuit models.

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.

Deep Reinforcement Learning is emerging as a promising approach for the continuous control task of robotic arm movement. However, the challenges of learning robust and versatile control capabilities are still far from being resolved for real-world applications, mainly because of two common issues of this learning paradigm: the exploration strategy and the slow learning speed, sometimes known as "the curse of dimensionality". This work aims at exploring and assessing the advantages of the application of Quantum Computing to one of the state-of-art Reinforcement Learning techniques for continuous control - namely Soft Actor-Critic. Specifically, the performance of a Variational Quantum Soft Actor-Critic on the movement of a virtual robotic arm has been investigated by means of digital simulations of quantum circuits. A quantum advantage over the classical algorithm has been found in terms of a significant decrease in the amount of required parameters for satisfactory model training, paving the way for further promising developments.

The power of quantum computers is still somewhat speculative. While they are certainly faster than classical ones at some tasks, the class of problems they can efficiently solve has not been mapped definitively onto known classical complexity theory. This means that we do not know for which calculations there will be a "quantum advantage," once an algorithm is found. One way to answer the question is to find those algorithms, but finding truly quantum algorithms turns out to be very difficult. In previous work over the past three decades we have pursued the idea of using techniques of machine learning to develop algorithms for quantum computing. Here we compare the performance of standard real- and complex-valued classical neural networks with that of one of our models for a quantum neural network, on both classical problems and on an archetypal quantum problem: the computation of an entanglement witness. The quantum network is shown to need far fewer epochs and a much smaller network to achieve comparable or better results.

This study presents a systematic comparison between hybrid quantum-classical neural networks and purely classical models across three benchmark datasets (MNIST, CIFAR100, and STL10) to evaluate their performance, efficiency, and robustness. The hybrid models integrate parameterized quantum circuits with classical deep learning architectures, while the classical counterparts use conventional convolutional neural networks (CNNs). Experiments were conducted over 50 training epochs for each dataset, with evaluations on validation accuracy, test accuracy, training time, computational resource usage, and adversarial robustness (tested with epsilon=0.1 perturbations).Key findings demonstrate that hybrid models consistently outperform classical models in final accuracy, achieving {99.38\% (MNIST), 41.69\% (CIFAR100), and 74.05\% (STL10) validation accuracy, compared to classical benchmarks of 98.21\%, 32.25\%, and 63.76\%, respectively. Notably, the hybrid advantage scales with dataset complexity, showing the most significant gains on CIFAR100 (+9.44\%) and STL10 (+10.29\%). Hybrid models also train 5--12times faster (e.g., 21.23s vs. 108.44s per epoch on MNIST) and use 6--32\% fewer parameters} while maintaining superior generalization to unseen test data.Adversarial robustness tests reveal that hybrid models are significantly more resilient on simpler datasets (e.g., 45.27\% robust accuracy on MNIST vs. 10.80\% for classical) but show comparable fragility on complex datasets like CIFAR100 (sim1\% robustness for both). Resource efficiency analyses indicate that hybrid models consume less memory (4--5GB vs. 5--6GB for classical) and lower CPU utilization (9.5\% vs. 23.2\% on average).These results suggest that hybrid quantum-classical architectures offer compelling advantages in accuracy, training efficiency, and parameter scalability, particularly for complex vision tasks.

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.

Energy consumption in solving computational problems has been gaining growing attention as a part of the performance measures of computers. Quantum computation is known to offer advantages over classical computation in terms of various computational resources; however, its advantage in energy consumption has been challenging to analyze due to the lack of a theoretical foundation to relate the physical notion of energy and the computer-scientific notion of complexity for quantum computation with finite computational resources. To bridge this gap, we introduce a general framework for studying the energy consumption of quantum and classical computation based on a computational model that has been conventionally used for studying query complexity in computational complexity theory. With this framework, we derive an upper bound for the achievable energy consumption of quantum computation. We also develop techniques for proving a nonzero lower bound of energy consumption of classical computation based on the energy-conservation law and Landauer's principle. With these general bounds, we rigorously prove that quantum computation achieves an exponential energy-consumption advantage over classical computation for solving a specific computational problem, Simon's problem. Furthermore, we clarify how to demonstrate this energy-consumption advantage of quantum computation in an experimental setting. These results provide a fundamental framework and techniques to explore the physical meaning of quantum advantage in the query-complexity setting based on energy consumption, opening an alternative way to study the advantages of quantum computation.

A directed acyclic graph (DAG) provides valuable prior knowledge that is often discarded in regression tasks in machine learning. We show that the independences arising from the presence of collider structures in DAGs provide meaningful inductive biases, which constrain the regression hypothesis space and improve predictive performance. We introduce collider regression, a framework to incorporate probabilistic causal knowledge from a collider in a regression problem. When the hypothesis space is a reproducing kernel Hilbert space, we prove a strictly positive generalisation benefit under mild assumptions and provide closed-form estimators of the empirical risk minimiser. Experiments on synthetic and climate model data demonstrate performance gains of the proposed methodology.

We give a classical analogue to Kerenidis and Prakash's quantum recommendation system, previously believed to be one of the strongest candidates for provably exponential speedups in quantum machine learning. Our main result is an algorithm that, given an m times n matrix in a data structure supporting certain ell^2-norm sampling operations, outputs an ell^2-norm sample from a rank-k approximation of that matrix in time O(poly(k)log(mn)), only polynomially slower than the quantum algorithm. As a consequence, Kerenidis and Prakash's algorithm does not in fact give an exponential speedup over classical algorithms. Further, under strong input assumptions, the classical recommendation system resulting from our algorithm produces recommendations exponentially faster than previous classical systems, which run in time linear in m and n. The main insight of this work is the use of simple routines to manipulate ell^2-norm sampling distributions, which play the role of quantum superpositions in the classical setting. This correspondence indicates a potentially fruitful framework for formally comparing quantum machine learning algorithms to classical machine learning algorithms.

Quantum computers have the potential to revolutionize diverse fields, including quantum chemistry, materials science, and machine learning. However, contemporary quantum computers experience errors that often cause quantum programs run on them to fail. Until quantum computers can reliably execute large quantum programs, stakeholders will need fast and reliable methods for assessing a quantum computer's capability-i.e., the programs it can run and how well it can run them. Previously, off-the-shelf neural network architectures have been used to model quantum computers' capabilities, but with limited success, because these networks fail to learn the complex quantum physics that determines real quantum computers' errors. We address this shortcoming with a new quantum-physics-aware neural network architecture for learning capability models. Our architecture combines aspects of graph neural networks with efficient approximations to the physics of errors in quantum programs. This approach achieves up to sim50% reductions in mean absolute error on both experimental and simulated data, over state-of-the-art models based on convolutional neural networks.

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.

Integral reinforcement learning (IntRL) demands the precise computation of the utility function's integral at its policy evaluation (PEV) stage. This is achieved through quadrature rules, which are weighted sums of utility functions evaluated from state samples obtained in discrete time. Our research reveals a critical yet underexplored phenomenon: the choice of the computational method -- in this case, the quadrature rule -- can significantly impact control performance. This impact is traced back to the fact that computational errors introduced in the PEV stage can affect the policy iteration's convergence behavior, which in turn affects the learned controller. To elucidate how computation impacts control, we draw a parallel between IntRL's policy iteration and Newton's method applied to the Hamilton-Jacobi-Bellman equation. In this light, computational error in PEV manifests as an extra error term in each iteration of Newton's method, with its upper bound proportional to the computational error. Further, we demonstrate that when the utility function resides in a reproducing kernel Hilbert space (RKHS), the optimal quadrature is achievable by employing Bayesian quadrature with the RKHS-inducing kernel function. We prove that the local convergence rates for IntRL using the trapezoidal rule and Bayesian quadrature with a Mat\'ern kernel to be O(N^{-2}) and O(N^{-b}), where N is the number of evenly-spaced samples and b is the Mat\'ern kernel's smoothness parameter. These theoretical findings are finally validated by two canonical control tasks.

Image classification, a pivotal task in multiple industries, faces computational challenges due to the burgeoning volume of visual data. This research addresses these challenges by introducing two quantum machine learning models that leverage the principles of quantum mechanics for effective computations. Our first model, a hybrid quantum neural network with parallel quantum circuits, enables the execution of computations even in the noisy intermediate-scale quantum era, where circuits with a large number of qubits are currently infeasible. This model demonstrated a record-breaking classification accuracy of 99.21% on the full MNIST dataset, surpassing the performance of known quantum-classical models, while having eight times fewer parameters than its classical counterpart. Also, the results of testing this hybrid model on a Medical MNIST (classification accuracy over 99%), and on CIFAR-10 (classification accuracy over 82%), can serve as evidence of the generalizability of the model and highlights the efficiency of quantum layers in distinguishing common features of input data. Our second model introduces a hybrid quantum neural network with a Quanvolutional layer, reducing image resolution via a convolution process. The model matches the performance of its classical counterpart, having four times fewer trainable parameters, and outperforms a classical model with equal weight parameters. These models represent advancements in quantum machine learning research and illuminate the path towards more accurate image classification systems.

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

We present an end-to-end reconfigurable algorithmic pipeline for solving a famous problem in knot theory using a noisy digital quantum computer, namely computing the value of the Jones polynomial at the fifth root of unity within additive error for any input link, i.e. a closed braid. This problem is DQC1-complete for Markov-closed braids and BQP-complete for Plat-closed braids, and we accommodate both versions of the problem. Even though it is widely believed that DQC1 is strictly contained in BQP, and so is 'less quantum', the resource requirements of classical algorithms for the DQC1 version are at least as high as for the BQP version, and so we potentially gain 'more advantage' by focusing on Markov-closed braids in our exposition. We demonstrate our quantum algorithm on Quantinuum's H2-2 quantum computer and show the effect of problem-tailored error-mitigation techniques. Further, leveraging that the Jones polynomial is a link invariant, we construct an efficiently verifiable benchmark to characterise the effect of noise present in a given quantum processor. In parallel, we implement and benchmark the state-of-the-art tensor-network-based classical algorithms for computing the Jones polynomial. The practical tools provided in this work allow for precise resource estimation to identify near-term quantum advantage for a meaningful quantum-native problem in knot theory.

In this research, we explore the integration of quantum computing with classical machine learning for image classification tasks, specifically focusing on the MNIST dataset. We propose a hybrid quantum-classical approach that leverages the strengths of both paradigms. The process begins with preprocessing the MNIST dataset, normalizing the pixel values, and reshaping the images into vectors. An autoencoder compresses these 784-dimensional vectors into a 64-dimensional latent space, effectively reducing the data's dimensionality while preserving essential features. These compressed features are then processed using a quantum circuit implemented on a 5-qubit system. The quantum circuit applies rotation gates based on the feature values, followed by Hadamard and CNOT gates to entangle the qubits, and measurements are taken to generate quantum outcomes. These outcomes serve as input for a classical neural network designed to classify the MNIST digits. The classical neural network comprises multiple dense layers with batch normalization and dropout to enhance generalization and performance. We evaluate the performance of this hybrid model and compare it with a purely classical approach. The experimental results indicate that while the hybrid model demonstrates the feasibility of integrating quantum computing with classical techniques, the accuracy of the final model, trained on quantum outcomes, is currently lower than the classical model trained on compressed features. This research highlights the potential of quantum computing in machine learning, though further optimization and advanced quantum algorithms are necessary to achieve superior performance.

Variational quantum circuits (VQCs) are central to quantum machine learning, while recent progress in Kolmogorov-Arnold networks (KANs) highlights the power of learnable activation functions. We unify these directions by introducing quantum variational activation functions (QVAFs), realized through single-qubit data re-uploading circuits called DatA Re-Uploading ActivatioNs (DARUANs). We show that DARUAN with trainable weights in data pre-processing possesses an exponentially growing frequency spectrum with data repetitions, enabling an exponential reduction in parameter size compared with Fourier-based activations without loss of expressivity. Embedding DARUAN into KANs yields quantum-inspired KANs (QKANs), which retain the interpretability of KANs while improving their parameter efficiency, expressivity, and generalization. We further introduce two novel techniques to enhance scalability, feasibility and computational efficiency, such as layer extension and hybrid QKANs (HQKANs) as drop-in replacements of multi-layer perceptrons (MLPs) for feed-forward networks in large-scale models. We provide theoretical analysis and extensive experiments on function regression, image classification, and autoregressive generative language modeling, demonstrating the efficiency and scalability of QKANs. DARUANs and QKANs offer a promising direction for advancing quantum machine learning on both noisy intermediate-scale quantum (NISQ) hardware and classical quantum simulators.

In this paper, we have studied the performance and role of local optimizers in quantum variational circuits. We studied the performance of the two most popular optimizers and compared their results with some popular classical machine learning algorithms. The classical algorithms we used in our study are support vector machine (SVM), gradient boosting (GB), and random forest (RF). These were compared with a variational quantum classifier (VQC) using two sets of local optimizers viz AQGD and COBYLA. For experimenting with VQC, IBM Quantum Experience and IBM Qiskit was used while for classical machine learning models, sci-kit learn was used. The results show that machine learning on noisy immediate scale quantum machines can produce comparable results as on classical machines. For our experiments, we have used a popular restaurant sentiment analysis dataset. The extracted features from this dataset and then after applying PCA reduced the feature set into 5 features. Quantum ML models were trained using 100 epochs and 150 epochs on using EfficientSU2 variational circuit. Overall, four Quantum ML models were trained and three Classical ML models were trained. The performance of the trained models was evaluated using standard evaluation measures viz, Accuracy, Precision, Recall, F-Score. In all the cases AQGD optimizer-based model with 100 Epochs performed better than all other models. It produced an accuracy of 77% and an F-Score of 0.785 which were highest across all the trained models.

We give a quantum algorithm for computing an epsilon-approximate Nash equilibrium of a zero-sum game in a m times n payoff matrix with bounded entries. Given a standard quantum oracle for accessing the payoff matrix our algorithm runs in time O(m + ncdot epsilon^{-2.5} + epsilon^{-3}) and outputs a classical representation of the epsilon-approximate Nash equilibrium. This improves upon the best prior quantum runtime of O(m + n cdot epsilon^{-3}) obtained by [vAG19] and the classic O((m + n) cdot epsilon^{-2}) runtime due to [GK95] whenever epsilon = Omega((m +n)^{-1}). We obtain this result by designing new quantum data structures for efficiently sampling from a slowly-changing Gibbs distribution.

Quantum computing promises to enhance machine learning and artificial intelligence. Different quantum algorithms have been proposed to improve a wide spectrum of machine learning tasks. Yet, recent theoretical works show that, similar to traditional classifiers based on deep classical neural networks, quantum classifiers would suffer from the vulnerability problem: adding tiny carefully-crafted perturbations to the legitimate original data samples would facilitate incorrect predictions at a notably high confidence level. This will pose serious problems for future quantum machine learning applications in safety and security-critical scenarios. Here, we report the first experimental demonstration of quantum adversarial learning with programmable superconducting qubits. We train quantum classifiers, which are built upon variational quantum circuits consisting of ten transmon qubits featuring average lifetimes of 150 mus, and average fidelities of simultaneous single- and two-qubit gates above 99.94% and 99.4% respectively, with both real-life images (e.g., medical magnetic resonance imaging scans) and quantum data. We demonstrate that these well-trained classifiers (with testing accuracy up to 99%) can be practically deceived by small adversarial perturbations, whereas an adversarial training process would significantly enhance their robustness to such perturbations. Our results reveal experimentally a crucial vulnerability aspect of quantum learning systems under adversarial scenarios and demonstrate an effective defense strategy against adversarial attacks, which provide a valuable guide for quantum artificial intelligence applications with both near-term and future quantum devices.

The rapid data surge from the high-luminosity Large Hadron Collider introduces critical computational challenges requiring novel approaches for efficient data processing in particle physics. Quantum machine learning, with its capability to leverage the extensive Hilbert space of quantum hardware, offers a promising solution. However, current quantum graph neural networks (GNNs) lack robustness to noise and are often constrained by fixed symmetry groups, limiting adaptability in complex particle interaction modeling. This paper demonstrates that replacing the Lorentz Group Equivariant Block modules in LorentzNet with a dressed quantum circuit significantly enhances performance despite using nearly 5.5 times fewer parameters. Additionally, quantum circuits effectively replace MLPs by inherently preserving symmetries, with Lorentz symmetry integration ensuring robust handling of relativistic invariance. Our Lorentz-Equivariant Quantum Graph Neural Network (Lorentz-EQGNN) achieved 74.00% test accuracy and an AUC of 87.38% on the Quark-Gluon jet tagging dataset, outperforming the classical and quantum GNNs with a reduced architecture using only 4 qubits. On the Electron-Photon dataset, Lorentz-EQGNN reached 67.00% test accuracy and an AUC of 68.20%, demonstrating competitive results with just 800 training samples. Evaluation of our model on generic MNIST and FashionMNIST datasets confirmed Lorentz-EQGNN's efficiency, achieving 88.10% and 74.80% test accuracy, respectively. Ablation studies validated the impact of quantum components on performance, with notable improvements in background rejection rates over classical counterparts. These results highlight Lorentz-EQGNN's potential for immediate applications in noise-resilient jet tagging, event classification, and broader data-scarce HEP tasks.

Quantum computers offer a new paradigm of computing with the potential to vastly outperform any imagineable classical computer. This has caused a gold rush towards new quantum algorithms and hardware. In light of the growing expectations and hype surrounding quantum computing we ask the question which are the promising applications to realize quantum advantage. We argue that small data problems and quantum algorithms with super-quadratic speedups are essential to make quantum computers useful in practice. With these guidelines one can separate promising applications for quantum computing from those where classical solutions should be pursued. While most of the proposed quantum algorithms and applications do not achieve the necessary speedups to be considered practical, we already see a huge potential in material science and chemistry. We expect further applications to be developed based on our guidelines.

Artificial neural networks are the heart of machine learning algorithms and artificial intelligence protocols. Historically, the simplest implementation of an artificial neuron traces back to the classical Rosenblatt's `perceptron', but its long term practical applications may be hindered by the fast scaling up of computational complexity, especially relevant for the training of multilayered perceptron networks. Here we introduce a quantum information-based algorithm implementing the quantum computer version of a perceptron, which shows exponential advantage in encoding resources over alternative realizations. We experimentally test a few qubits version of this model on an actual small-scale quantum processor, which gives remarkably good answers against the expected results. We show that this quantum model of a perceptron can be used as an elementary nonlinear classifier of simple patterns, as a first step towards practical training of artificial quantum neural networks to be efficiently implemented on near-term quantum processing hardware.

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.

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.

This paper focuses on the construction of a general parametric model that can be implemented executing multiple swap tests over few qubits and applying a suitable measurement protocol. The model turns out to be equivalent to a two-layer feedforward neural network which can be realized combining small quantum modules. The advantages and the perspectives of the proposed quantum method are discussed.

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

Quantum computing offers efficient encapsulation of high-dimensional states. In this work, we propose a novel quantum reinforcement learning approach that combines the Advantage Actor-Critic algorithm with variational quantum circuits by substituting parts of the classical components. This approach addresses reinforcement learning's scalability concerns while maintaining high performance. We empirically test multiple quantum Advantage Actor-Critic configurations with the well known Cart Pole environment to evaluate our approach in control tasks with continuous state spaces. Our results indicate that the hybrid strategy of using either a quantum actor or quantum critic with classical post-processing yields a substantial performance increase compared to pure classical and pure quantum variants with similar parameter counts. They further reveal the limits of current quantum approaches due to the hardware constraints of noisy intermediate-scale quantum computers, suggesting further research to scale hybrid approaches for larger and more complex control tasks.

Optimizing GPU kernels manually is a challenging and time-consuming task. With the rapid development of LLMs, automated GPU kernel optimization is gradually becoming a tangible reality. However, current LLM-driven automated optimization methods narrowly focus on machine learning applications, such as PyTorch operator optimization, while overlooking broader domains like sparse matrix operations in scientific computing. Extending to these broader applications brings new challenges for the benchmark and algorithm. Therefore, developing a general-purpose automated kernel optimization method becomes our primary focus. In this paper, we address the absence of systematic evaluation for multi-scenario settings by introducing MSKernelBench, which spans multiple scenarios, including fundamental algebraic operations, common LLM kernels, sparse matrix operators, and scientific computing routines, each supporting both FP32 and BF16 precision. Building on this benchmark, we introduce CUDAMaster, a multi-agent, hardware-aware system for kernel optimization that leverages profiling information and automatically constructs the full compilation and execution toolchain. Experimental results demonstrate that CUDAMaster achieves significant speedups across most operators, outperforming Astra by about 35%. In several cases, its performance matches or surpasses that of highly optimized, closed-source libraries such as cuBLAS. A demo showcasing the original and optimized code for each operator is available at https://hanyx2021.github.io/MSKernelBenchDemo/.

Demonstrating the practical utility of Noisy Intermediate-Scale Quantum (NISQ) hardware for recurrent tasks in Computer-Aided Drug Discovery is of paramount importance. We tackle this challenge by performing three-dimensional protein pockets hydration-site prediction on a quantum computer. Formulating the water placement problem as a Quadratic Unconstrained Binary Optimization (QUBO), we use a hybrid approach coupling a classical three-dimensional reference-interaction site model (3D-RISM) to an efficient quantum optimization solver, to run various hardware experiments up to 123 qubits. Matching the precision of classical approaches, our results reproduced experimental predictions on real-life protein-ligand complexes. Furthermore, through a detailed resource estimation analysis, we show that accuracy can be systematically improved with increasing number of qubits, indicating that full quantum utility is in reach. Finally, we provide evidence that advantageous situations could be found for systems where classical optimization struggles to provide optimal solutions. The method has potential for assisting simulations of protein-ligand complexes for drug lead optimization and setup of docking calculations.

While Key-Value (KV) cache succeeds in reducing redundant computations in auto-regressive models, it introduces significant memory overhead, limiting its practical deployment in long-sequence scenarios. Existing KV retrieval methods mitigate this by dynamically retaining only a subset of KV entries on the GPU. However, they still suffer from notable efficiency and accuracy bottlenecks due to per-token retrieval and coarse-grained page-level KV management, especially in long-output reasoning scenarios. With the emergence of large reasoning models, efficiently handling such scenarios has become increasingly important. To address this issue, we present two key observations: (1) critical KVs exhibit strong temporal locality during decoding, and (2) these KVs exhibit distinct distribution patterns across the input prompt and generated output. Building on these observations, we propose LouisKV, an efficient KV cache retrieval framework designed for various long-sequence scenarios. Specifically, LouisKV introduces a semantic-aware retrieval strategy leveraging temporal locality to trigger retrieval only at semantic boundaries, drastically reducing computation and data transfer overhead. LouisKV also designs a decoupled, fine-grained management scheme that tailors differentiated strategies for input and output sequences to create retrieval units that better match the model's attention patterns, enabling precise identification of critical KVs. Furthermore, to boost efficiency, LouisKV incorporates several kernel-level optimizations, including custom Triton and CUDA kernels to accelerate the KV clustering and retrieval. Evaluations show that LouisKV achieves up to 4.7times speedup over state-of-the-art KV retrieval methods while maintaining near-lossless accuracy across diverse long-sequence tasks, including long-input short-output, short-input long-output, and long-input long-output scenarios.

Given the success of deep learning in classical machine learning, quantum algorithms for traditional neural network architectures may provide one of the most promising settings for quantum machine learning. Considering a fully-connected feedforward neural network, we show that conditions amenable to classical trainability via gradient descent coincide with those necessary for efficiently solving quantum linear systems. We propose a quantum algorithm to approximately train a wide and deep neural network up to O(1/n) error for a training set of size n by performing sparse matrix inversion in O(log n) time. To achieve an end-to-end exponential speedup over gradient descent, the data distribution must permit efficient state preparation and readout. We numerically demonstrate that the MNIST image dataset satisfies such conditions; moreover, the quantum algorithm matches the accuracy of the fully-connected network. Beyond the proven architecture, we provide empirical evidence for O(log n) training of a convolutional neural network with pooling.

Weight-only quantization is widely used to mitigate the memory-bound nature of LLM inference. Codebook-based methods extend this trend by achieving strong accuracy in the extremely low-bit regime (e.g., 2-bit). However, current kernels rely on dequantization, which repeatedly fetches centroids and reconstructs weights, incurring substantial latency and cache pressure. We present CodeGEMM, a codebook-centric GEMM kernel that replaces dequantization with precomputed inner products between centroids and activations stored in a lightweight Psumbook. At inference, code indices directly gather these partial sums, eliminating per-element lookups and reducing the on-chip footprint. The kernel supports the systematic exploration of latency-memory-accuracy trade-offs under a unified implementation. On Llama-3 models, CodeGEMM delivers 1.83x (8B) and 8.93x (70B) speedups in the 2-bit configuration compared to state-of-the-art codebook-based quantization at comparable accuracy and further improves computing efficiency and memory subsystem utilization.

Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers due to the extremely high computational cost. Quantum computers promise a solution, although fault-tolerant quantum computers will likely not be available in the near future. Current quantum devices have serious constraints, including limited numbers of qubits and noise processes that limit circuit depth. Variational Quantum Algorithms (VQAs), which use a classical optimizer to train a parametrized quantum circuit, have emerged as a leading strategy to address these constraints. VQAs have now been proposed for essentially all applications that researchers have envisioned for quantum computers, and they appear to the best hope for obtaining quantum advantage. Nevertheless, challenges remain including the trainability, accuracy, and efficiency of VQAs. Here we overview the field of VQAs, discuss strategies to overcome their challenges, and highlight the exciting prospects for using them to obtain quantum advantage.

Quantum machine learning models have shown successful generalization performance even when trained with few data. In this work, through systematic randomization experiments, we show that traditional approaches to understanding generalization fail to explain the behavior of such quantum models. Our experiments reveal that state-of-the-art quantum neural networks accurately fit random states and random labeling of training data. This ability to memorize random data defies current notions of small generalization error, problematizing approaches that build on complexity measures such as the VC dimension, the Rademacher complexity, and all their uniform relatives. We complement our empirical results with a theoretical construction showing that quantum neural networks can fit arbitrary labels to quantum states, hinting at their memorization ability. Our results do not preclude the possibility of good generalization with few training data but rather rule out any possible guarantees based only on the properties of the model family. These findings expose a fundamental challenge in the conventional understanding of generalization in quantum machine learning and highlight the need for a paradigm shift in the design of quantum models for machine learning tasks.

Quantum algorithms for optimization problems are of general interest. Despite recent progress in classical lower bounds for nonconvex optimization under different settings and quantum lower bounds for convex optimization, quantum lower bounds for nonconvex optimization are still widely open. In this paper, we conduct a systematic study of quantum query lower bounds on finding epsilon-approximate stationary points of nonconvex functions, and we consider the following two important settings: 1) having access to p-th order derivatives; or 2) having access to stochastic gradients. The classical query lower bounds is Omegabig(epsilon^{-1+p{p}}big) regarding the first setting, and Omega(epsilon^{-4}) regarding the second setting (or Omega(epsilon^{-3}) if the stochastic gradient function is mean-squared smooth). In this paper, we extend all these classical lower bounds to the quantum setting. They match the classical algorithmic results respectively, demonstrating that there is no quantum speedup for finding epsilon-stationary points of nonconvex functions with p-th order derivative inputs or stochastic gradient inputs, whether with or without the mean-squared smoothness assumption. Technically, our quantum lower bounds are obtained by showing that the sequential nature of classical hard instances in all these settings also applies to quantum queries, preventing any quantum speedup other than revealing information of the stationary points sequentially.

Quantum computing offers new ways to explore the theory of computation via the laws of quantum mechanics. Due to the rising demand for quantum computing resources, there is growing interest in developing cloud-based quantum resource sharing platforms that enable researchers to test and execute their algorithms on real quantum hardware. These cloud-based systems face a fundamental challenge in efficiently allocating quantum hardware resources to fulfill the growing computational demand of modern Internet of Things (IoT) applications. So far, attempts have been made in order to make efficient resource allocation, ranging from heuristic-based solutions to machine learning. In this work, we employ quantum reinforcement learning based on parameterized quantum circuits to address the resource allocation problem to support large IoT networks. We propose a python-based toolkit called QAISim for the simulation and modeling of Quantum Artificial Intelligence (QAI) models for designing resource management policies in quantum cloud environments. We have simulated policy gradient and Deep Q-Learning algorithms for reinforcement learning. QAISim exhibits a substantial reduction in model complexity compared to its classical counterparts with fewer trainable variables.

Artificial Intelligence (AI), with its multiplier effect and wide applications in multiple areas, could potentially be an important application of quantum computing. Since modern AI systems are often built on neural networks, the design of quantum neural networks becomes a key challenge in integrating quantum computing into AI. To provide a more fine-grained characterisation of the impact of quantum components on the performance of neural networks, we propose a framework where classical neural network layers are gradually replaced by quantum layers that have the same type of input and output while keeping the flow of information between layers unchanged, different from most current research in quantum neural network, which favours an end-to-end quantum model. We start with a simple three-layer classical neural network without any normalisation layers or activation functions, and gradually change the classical layers to the corresponding quantum versions. We conduct numerical experiments on image classification datasets such as the MNIST, FashionMNIST and CIFAR-10 datasets to demonstrate the change of performance brought by the systematic introduction of quantum components. Through this framework, our research sheds new light on the design of future quantum neural network models where it could be more favourable to search for methods and frameworks that harness the advantages from both the classical and quantum worlds.

In this work, we address the problem of automating quantum variational machine learning. We develop a multi-locality parallelizable search algorithm, called MUSE, to find the initial points and the sets of parameters that achieve the best performance for quantum variational circuit learning. Simulations with five real-world classification datasets indicate that on average, MUSE improves the detection accuracy of quantum variational classifiers 2.3 times with respect to the observed lowest scores. Moreover, when applied to two real-world regression datasets, MUSE improves the quality of the predictions from negative coefficients of determination to positive ones. Furthermore, the classification and regression scores of the quantum variational models trained with MUSE are on par with the classical counterparts.

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.

The privacy in classical federated learning can be breached through the use of local gradient results along with engineered queries to the clients. However, quantum communication channels are considered more secure because a measurement on the channel causes a loss of information, which can be detected by the sender. Therefore, the quantum version of federated learning can be used to provide more privacy. Additionally, sending an N dimensional data vector through a quantum channel requires sending log N entangled qubits, which can potentially provide exponential efficiency if the data vector is utilized as quantum states. In this paper, we propose a quantum federated learning model where fixed design quantum chips are operated based on the quantum states sent by a centralized server. Based on the coming superposition states, the clients compute and then send their local gradients as quantum states to the server, where they are aggregated to update parameters. Since the server does not send model parameters, but instead sends the operator as a quantum state, the clients are not required to share the model. This allows for the creation of asynchronous learning models. In addition, the model as a quantum state is fed into client-side chips directly; therefore, it does not require measurements on the upcoming quantum state to obtain model parameters in order to compute gradients. This can provide efficiency over the models where the parameter vector is sent via classical or quantum channels and local gradients are obtained through the obtained values of these parameters.

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

We analyze the DP (differential privacy) properties of the quantum recommendation algorithm and the quantum-inspired-classical recommendation algorithm. We discover that the quantum recommendation algorithm is a privacy curating mechanism on its own, requiring no external noise, which is different from traditional differential privacy mechanisms. In our analysis, a novel perturbation method tailored for SVD (singular value decomposition) and low-rank matrix approximation problems is introduced. Using the perturbation method and random matrix theory, we are able to derive that both the quantum and quantum-inspired-classical algorithms are big(mathcal{O}big(frac 1nbig),,, mathcal{O}big(1{min{m,n}}big)big)-DP under some reasonable restrictions, where m and n are numbers of users and products in the input preference database respectively. Nevertheless, a comparison shows that the quantum algorithm has better privacy preserving potential than the classical one.

Generative models are a class of machine learning models that aim to learn the underlying probability distribution of data. Unlike discriminative models, generative models focus on capturing the data's inherent structure, allowing them to generate new samples that resemble the original data. To fully exploit the potential of modeling probability distributions using quantum physics, a quantum-inspired generative model known as the Born machines have shown great advancements in learning classical and quantum data over matrix product state(MPS) framework. The Born machines support tractable log-likelihood, autoregressive and mask sampling, and have shown outstanding performance in various unsupervised learning tasks. However, much of the current research has been centered on improving the expressive power of MPS, predominantly embedding each token directly by a corresponding tensor index. In this study, we generalize the embedding method into trainable quantum measurement operators that can be simultaneously honed with MPS. Our study indicated that combined with trainable embedding, Born machines can exhibit better performance and learn deeper correlations from the dataset.

This paper presents a hybrid quantum-classical machine learning model for classification tasks, integrating a 4-qubit quantum circuit with a classical neural network. The quantum circuit is designed to encode the features of the Iris dataset using angle embedding and entangling gates, thereby capturing complex feature relationships that are difficult for classical models alone. The model, which we term a Quantum Convolutional Neural Network (QCNN), was trained over 20 epochs, achieving a perfect 100% accuracy on the Iris dataset test set on 16 epoch. Our results demonstrate the potential of quantum-enhanced models in supervised learning tasks, particularly in efficiently encoding and processing data using quantum resources. We detail the quantum circuit design, parameterized gate selection, and the integration of the quantum layer with classical neural network components. This work contributes to the growing body of research on hybrid quantum-classical models and their applicability to real-world datasets.

Progress in the realisation of reliable large-scale quantum computers has motivated research into the design of quantum machine learning models. We present Quixer: a novel quantum transformer model which utilises the Linear Combination of Unitaries and Quantum Singular Value Transform primitives as building blocks. Quixer operates by preparing a superposition of tokens and applying a trainable non-linear transformation to this mix. We present the first results for a quantum transformer model applied to a practical language modelling task, obtaining results competitive with an equivalent classical baseline. In addition, we include resource estimates for evaluating the model on quantum hardware, and provide an open-source implementation for classical simulation. We conclude by highlighting the generality of Quixer, showing that its parameterised components can be substituted with fixed structures to yield new classes of quantum transformers.

Machine learning is a promising application of quantum computing, but challenges remain as near-term devices will have a limited number of physical qubits and high error rates. Motivated by the usefulness of tensor networks for machine learning in the classical context, we propose quantum computing approaches to both discriminative and generative learning, with circuits based on tree and matrix product state tensor networks that could have benefits for near-term devices. The result is a unified framework where classical and quantum computing can benefit from the same theoretical and algorithmic developments, and the same model can be trained classically then transferred to the quantum setting for additional optimization. Tensor network circuits can also provide qubit-efficient schemes where, depending on the architecture, the number of physical qubits required scales only logarithmically with, or independently of the input or output data sizes. We demonstrate our proposals with numerical experiments, training a discriminative model to perform handwriting recognition using a optimization procedure that could be carried out on quantum hardware, and testing the noise resilience of the trained model.

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.

Classical reinforcement learning (RL) has generated excellent results in different regions; however, its sample inefficiency remains a critical issue. In this paper, we provide concrete numerical evidence that the sample efficiency (the speed of convergence) of quantum RL could be better than that of classical RL, and for achieving comparable learning performance, quantum RL could use much (at least one order of magnitude) fewer trainable parameters than classical RL. Specifically, we employ the popular benchmarking environments of RL in the OpenAI Gym, and show that our quantum RL agent converges faster than classical fully-connected neural networks (FCNs) in the tasks of CartPole and Acrobot under the same optimization process. We also successfully train the first quantum RL agent that can complete the task of LunarLander in the OpenAI Gym. Our quantum RL agent only requires a single-qubit-based variational quantum circuit without entangling gates, followed by a classical neural network (NN) to post-process the measurement output. Finally, we could accomplish the aforementioned tasks on the real IBM quantum machines. To the best of our knowledge, none of the earlier quantum RL agents could do that.

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements (mu, nu) are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a global transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.

Here we investigate the role of quantum interference in the quantum homogenizer, whose convergence properties model a thermalization process. In the original quantum homogenizer protocol, a system qubit converges to the state of identical reservoir qubits through partial-swap interactions, that allow interference between reservoir qubits. We design an alternative, incoherent quantum homogenizer, where each system-reservoir interaction is moderated by a control qubit using a controlled-swap interaction. We show that our incoherent homogenizer satisfies the essential conditions for homogenization, being able to transform a qubit from any state to any other state to arbitrary accuracy, with negligible impact on the reservoir qubits' states. Our results show that the convergence properties of homogenization machines that are important for modelling thermalization are not dependent on coherence between qubits in the homogenization protocol. We then derive bounds on the resources required to re-use the homogenizers for performing state transformations. This demonstrates that both homogenizers are universal for any number of homogenizations, for an increased resource cost.

A Perceptron is a fundamental building block of a neural network. The flexibility and scalability of perceptron make it ubiquitous in building intelligent systems. Studies have shown the efficacy of a single neuron in making intelligent decisions. Here, we examined and compared two perceptrons with distinct mechanisms, and developed a quantum version of one of those perceptrons. As a part of this modeling, we implemented the quantum circuit for an artificial perception, generated a dataset, and simulated the training. Through these experiments, we show that there is an exponential growth advantage and test different qubit versions. Our findings show that this quantum model of an individual perceptron can be used as a pattern classifier. For the second type of model, we provide an understanding to design and simulate a spike-dependent quantum perceptron. Our code is available at https://github.com/ashutosh1919/quantum-perceptron

Control variates are variance reduction tools for Monte Carlo estimators. They can provide significant variance reduction, but usually require a large number of samples, which can be prohibitive when sampling or evaluating the integrand is computationally expensive. Furthermore, there are many scenarios where we need to compute multiple related integrals simultaneously or sequentially, which can further exacerbate computational costs. In this paper, we propose vector-valued control variates, an extension of control variates which can be used to reduce the variance of multiple Monte Carlo estimators jointly. This allows for the transfer of information across integration tasks, and hence reduces the need for a large number of samples. We focus on control variates based on kernel interpolants and our novel construction is obtained through a generalised Stein identity and the development of novel matrix-valued Stein reproducing kernels. We demonstrate our methodology on a range of problems including multifidelity modelling, Bayesian inference for dynamical systems, and model evidence computation through thermodynamic integration.

Quantum optimization holds promise for addressing classically intractable combinatorial problems, yet a standardized framework for benchmarking its performance, particularly in terms of solution quality, computational speed, and scalability is still lacking. In this work, we introduce a comprehensive benchmarking framework designed to systematically evaluate a range of quantum optimization techniques against well-established NP-hard combinatorial problems. Our framework focuses on key problem classes, including the Multi-Dimensional Knapsack Problem (MDKP), Maximum Independent Set (MIS), Quadratic Assignment Problem (QAP), and Market Share Problem (MSP). Our study evaluates gate-based quantum approaches, including the Variational Quantum Eigensolver (VQE) and its CVaR-enhanced variant, alongside advanced quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) and its extensions. To address resource constraints, we incorporate qubit compression techniques like Pauli Correlation Encoding (PCE) and Quantum Random Access Optimization (QRAO). Experimental results, obtained from simulated quantum environments and classical solvers, provide key insights into feasibility, optimality gaps, and scalability. Our findings highlight both the promise and current limitations of quantum optimization, offering a structured pathway for future research and practical applications in quantum-enhanced decision-making.

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning models, specifically denoising diffusion models (DMs), to facilitate this transformation. Leveraging text-conditioning, we steer the model to produce desired quantum operations within gate-based quantum circuits. Notably, DMs allow to sidestep during training the exponential overhead inherent in the classical simulation of quantum dynamics -- a consistent bottleneck in preceding ML techniques. We demonstrate the model's capabilities across two tasks: entanglement generation and unitary compilation. The model excels at generating new circuits and supports typical DM extensions such as masking and editing to, for instance, align the circuit generation to the constraints of the targeted quantum device. Given their flexibility and generalization abilities, we envision DMs as pivotal in quantum circuit synthesis, enhancing both practical applications but also insights into theoretical quantum computation.

The efficiency of Bayesian optimization (BO) relies heavily on the choice of the Gaussian process (GP) kernel, which plays a central role in balancing exploration and exploitation under limited evaluation budgets. Traditional BO methods often rely on fixed or heuristic kernel selection strategies, which can result in slow convergence or suboptimal solutions when the chosen kernel is poorly suited to the underlying objective function. To address this limitation, we propose a freshly-baked Context-Aware Kernel Evolution (CAKE) to enhance BO with large language models (LLMs). Concretely, CAKE leverages LLMs as the crossover and mutation operators to adaptively generate and refine GP kernels based on the observed data throughout the optimization process. To maximize the power of CAKE, we further propose BIC-Acquisition Kernel Ranking (BAKER) to select the most effective kernel through balancing the model fit measured by the Bayesian information criterion (BIC) with the expected improvement at each iteration of BO. Extensive experiments demonstrate that our fresh CAKE-based BO method consistently outperforms established baselines across a range of real-world tasks, including hyperparameter optimization, controller tuning, and photonic chip design. Our code is publicly available at https://github.com/cake4bo/cake.

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

Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational quantum learning models to predict potential energy surfaces and atomic forces from ab initio training data. However, the trainability and scalability of such models are still limited, due to both theoretical and practical barriers. Inspired by recent developments in geometric classical and quantum machine learning, here we design quantum neural networks that explicitly incorporate, as a data-inspired prior, an extensive set of physically relevant symmetries. We find that our invariant quantum learning models outperform their more generic counterparts on individual molecules of growing complexity. Furthermore, we study a water dimer as a minimal example of a system with multiple components, showcasing the versatility of our proposed approach and opening the way towards larger simulations. Our results suggest that molecular force fields generation can significantly profit from leveraging the framework of geometric quantum machine learning, and that chemical systems represent, in fact, an interesting and rich playground for the development and application of advanced quantum machine learning tools.

We introduce QUICK, a group of novel optimized CUDA kernels for the efficient inference of quantized Large Language Models (LLMs). QUICK addresses the shared memory bank-conflict problem of state-of-the-art mixed precision matrix multiplication kernels. Our method interleaves the quantized weight matrices of LLMs offline to skip the shared memory write-back after the dequantization. We demonstrate up to 1.91x speedup over existing kernels of AutoAWQ on larger batches and up to 1.94x throughput gain on representative LLM models on various NVIDIA GPU devices.

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

We propose a quantum version of a generative diffusion model. In this algorithm, artificial neural networks are replaced with parameterized quantum circuits, in order to directly generate quantum states. We present both a full quantum and a latent quantum version of the algorithm; we also present a conditioned version of these models. The models' performances have been evaluated using quantitative metrics complemented by qualitative assessments. An implementation of a simplified version of the algorithm has been executed on real NISQ quantum hardware.

We consider the question of learning Q-function in a sample efficient manner for reinforcement learning with continuous state and action spaces under a generative model. If Q-function is Lipschitz continuous, then the minimal sample complexity for estimating ε-optimal Q-function is known to scale as Ω(1{ε^{d_1+d_2 +2}}) per classical non-parametric learning theory, where d_1 and d_2 denote the dimensions of the state and action spaces respectively. The Q-function, when viewed as a kernel, induces a Hilbert-Schmidt operator and hence possesses square-summable spectrum. This motivates us to consider a parametric class of Q-functions parameterized by its "rank" r, which contains all Lipschitz Q-functions as r to infty. As our key contribution, we develop a simple, iterative learning algorithm that finds ε-optimal Q-function with sample complexity of O(1{ε^{max(d_1, d_2)+2}}) when the optimal Q-function has low rank r and the discounting factor γ is below a certain threshold. Thus, this provides an exponential improvement in sample complexity. To enable our result, we develop a novel Matrix Estimation algorithm that faithfully estimates an unknown low-rank matrix in the ell_infty sense even in the presence of arbitrary bounded noise, which might be of interest in its own right. Empirical results on several stochastic control tasks confirm the efficacy of our "low-rank" algorithms.

In image processing, the amount of data to be processed grows rapidly, in particular when imaging methods yield images of more than two dimensions or time series of images. Thus, efficient processing is a challenge, as data sizes may push even supercomputers to their limits. Quantum image processing promises to encode images with logarithmically less qubits than classical pixels in the image. In theory, this is a huge progress, but so far not many experiments have been conducted in practice, in particular on real backends. Often, the precise conversion of classical data to quantum states, the exact implementation, and the interpretation of the measurements in the classical context are challenging. We investigate these practical questions in this paper. In particular, we study the feasibility of the Flexible Representation of Quantum Images (FRQI). Furthermore, we check experimentally what is the limit in the current noisy intermediate-scale quantum era, i.e. up to which image size an image can be encoded, both on simulators and on real backends. Finally, we propose a method for simplifying the circuits needed for the FRQI. With our alteration, the number of gates needed, especially of the error-prone controlled-NOT gates, can be reduced. As a consequence, the size of manageable images increases.

We present BenchRL-QAS, a unified benchmarking framework for reinforcement learning (RL) in quantum architecture search (QAS) across a spectrum of variational quantum algorithm tasks on 2- to 8-qubit systems. Our study systematically evaluates 9 different RL agents, including both value-based and policy-gradient methods, on quantum problems such as variational eigensolver, quantum state diagonalization, variational quantum classification (VQC), and state preparation, under both noiseless and noisy execution settings. To ensure fair comparison, we propose a weighted ranking metric that integrates accuracy, circuit depth, gate count, and training time. Results demonstrate that no single RL method dominates universally, the performance dependents on task type, qubit count, and noise conditions providing strong evidence of no free lunch principle in RL-QAS. As a byproduct we observe that a carefully chosen RL algorithm in RL-based VQC outperforms baseline VQCs. BenchRL-QAS establishes the most extensive benchmark for RL-based QAS to date, codes and experimental made publicly available for reproducibility and future advances.

Heart failure is a leading cause of global mortality, necessitating improved diagnostic strategies. Classical machine learning models struggle with challenges such as high-dimensional data, class imbalances, poor feature representations, and a lack of interpretability. While quantum machine learning holds promise, current hybrid models have not fully exploited quantum advantages. In this paper, we propose the Kolmogorov-Arnold Classical-Quantum Dual-Channel Neural Network (KACQ-DCNN), a novel hybrid architecture that replaces traditional multilayer perceptrons with Kolmogorov-Arnold Networks (KANs), enabling learnable univariate activation functions. Our KACQ-DCNN 4-qubit, 1-layer model outperforms 37 benchmark models, including 16 classical and 12 quantum neural networks, achieving an accuracy of 92.03%, with macro-average precision, recall, and F1 scores of 92.00%. It also achieved a ROC-AUC of 94.77%, surpassing other models by significant margins, as validated by paired t-tests with a significance threshold of 0.0056 (after Bonferroni correction). Ablation studies highlight the synergistic effect of classical-quantum integration, improving performance by about 2% over MLP variants. Additionally, LIME and SHAP explainability techniques enhance feature interpretability, while conformal prediction provides robust uncertainty quantification. Our results demonstrate that KACQ-DCNN improves cardiovascular diagnostics by combining high accuracy with interpretability and uncertainty quantification.

This concept paper aims to provide a brief outline of quantum computers, explore existing methods of quantum image classification techniques, so focusing on remote sensing applications, and discuss the bottlenecks of performing these algorithms on currently available open source platforms. Initial results demonstrate feasibility. Next steps include expanding the size of the quantum hidden layer and increasing the variety of output image options.

Geometric model fitting is a challenging but fundamental computer vision problem. Recently, quantum optimization has been shown to enhance robust fitting for the case of a single model, while leaving the question of multi-model fitting open. In response to this challenge, this paper shows that the latter case can significantly benefit from quantum hardware and proposes the first quantum approach to multi-model fitting (MMF). We formulate MMF as a problem that can be efficiently sampled by modern adiabatic quantum computers without the relaxation of the objective function. We also propose an iterative and decomposed version of our method, which supports real-world-sized problems. The experimental evaluation demonstrates promising results on a variety of datasets. The source code is available at: https://github.com/FarinaMatteo/qmmf.

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.

Within this decade, quantum computers are predicted to outperform conventional computers in terms of processing power and have a disruptive effect on a variety of business sectors. It is predicted that the financial sector would be one of the first to benefit from quantum computing both in the short and long terms. In this research work we use Hybrid Quantum Neural networks to present a quantum machine learning approach for Continuous variable prediction.

Quantum Machine Learning (QML) has surfaced as a pioneering framework addressing sequential control tasks and time-series modeling. It has demonstrated empirical quantum advantages notably within domains such as Reinforcement Learning (RL) and time-series prediction. A significant advancement lies in Quantum Recurrent Neural Networks (QRNNs), specifically tailored for memory-intensive tasks encompassing partially observable environments and non-linear time-series prediction. Nevertheless, QRNN-based models encounter challenges, notably prolonged training duration stemming from the necessity to compute quantum gradients using backpropagation-through-time (BPTT). This predicament exacerbates when executing the complete model on quantum devices, primarily due to the substantial demand for circuit evaluation arising from the parameter-shift rule. This paper introduces the Quantum Fast Weight Programmers (QFWP) as a solution to the temporal or sequential learning challenge. The QFWP leverages a classical neural network (referred to as the 'slow programmer') functioning as a quantum programmer to swiftly modify the parameters of a variational quantum circuit (termed the 'fast programmer'). Instead of completely overwriting the fast programmer at each time-step, the slow programmer generates parameter changes or updates for the quantum circuit parameters. This approach enables the fast programmer to incorporate past observations or information. Notably, the proposed QFWP model achieves learning of temporal dependencies without necessitating the use of quantum recurrent neural networks. Numerical simulations conducted in this study showcase the efficacy of the proposed QFWP model in both time-series prediction and RL tasks. The model exhibits performance levels either comparable to or surpassing those achieved by QLSTM-based models.

The Sachdev-Ye-Kitaev (SYK) model, known for its strong quantum correlations and chaotic behavior, serves as a key platform for quantum gravity studies. However, variationally preparing thermal states on near-term quantum processors for large systems (N>12, where N is the number of Majorana fermions) presents a significant challenge due to the rapid growth in the complexity of parameterized quantum circuits. This paper addresses this challenge by integrating reinforcement learning (RL) with convolutional neural networks, employing an iterative approach to optimize the quantum circuit and its parameters. The refinement process is guided by a composite reward signal derived from entropy and the expectation values of the SYK Hamiltonian. This approach reduces the number of CNOT gates by two orders of magnitude for systems Ngeq12 compared to traditional methods like first-order Trotterization. We demonstrate the effectiveness of the RL framework in both noiseless and noisy quantum hardware environments, maintaining high accuracy in thermal state preparation. This work advances a scalable, RL-based framework with applications for quantum gravity studies and out-of-time-ordered thermal correlators computation in quantum many-body systems on near-term quantum hardware. The code is available at https://github.com/Aqasch/solving_SYK_model_with_RL.

In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical quantity at time T, where the system is governed by a time-dependent Schr\"odinger equation. This type of control problem also has an intricate relation with machine learning. Our algorithms are based on a time-dependent Hamiltonian simulation method and a fast gradient-estimation algorithm. We also provide a comprehensive error analysis to quantify the total error from various steps, such as the finite-dimensional representation of the control function, the discretization of the Schr\"odinger equation, the numerical quadrature, and optimization. Our quantum algorithms require fault-tolerant quantum computers.

Quantum Machine Learning (QML) has come into the limelight due to the exceptional computational abilities of quantum computers. With the promises of near error-free quantum computers in the not-so-distant future, it is important that the effect of multi-qubit interactions on quantum neural networks is studied extensively. This paper introduces a Quantum Convolutional Network with novel Interaction layers exploiting three-qubit interactions, while studying the network's expressibility and entangling capability, for classifying both image and one-dimensional data. The proposed approach is tested on three publicly available datasets namely MNIST, Fashion MNIST, and Iris datasets, flexible in performing binary and multiclass classifications, and is found to supersede the performance of existing state-of-the-art methods.

k-Clustering in R^d (e.g., k-median and k-means) is a fundamental machine learning problem. While near-linear time approximation algorithms were known in the classical setting for a dataset with cardinality n, it remains open to find sublinear-time quantum algorithms. We give quantum algorithms that find coresets for k-clustering in R^d with O(nkd^{3/2}) query complexity. Our coreset reduces the input size from n to poly(kepsilon^{-1}d), so that existing alpha-approximation algorithms for clustering can run on top of it and yield (1 + epsilon)alpha-approximation. This eventually yields a quadratic speedup for various k-clustering approximation algorithms. We complement our algorithm with a nearly matching lower bound, that any quantum algorithm must make Omega(nk) queries in order to achieve even O(1)-approximation for k-clustering.

Efficient quantum compiling tactics greatly enhance the capability of quantum computers to execute complicated quantum algorithms. Due to its fundamental importance, a plethora of quantum compilers has been designed in past years. However, there are several caveats to current protocols, which are low optimality, high inference time, limited scalability, and lack of universality. To compensate for these defects, here we devise an efficient and practical quantum compiler assisted by advanced deep reinforcement learning (RL) techniques, i.e., data generation, deep Q-learning, and AQ* search. In this way, our protocol is compatible with various quantum machines and can be used to compile multi-qubit operators. We systematically evaluate the performance of our proposal in compiling quantum operators with both inverse-closed and inverse-free universal basis sets. In the task of single-qubit operator compiling, our proposal outperforms other RL-based quantum compilers in the measure of compiling sequence length and inference time. Meanwhile, the output solution is near-optimal, guaranteed by the Solovay-Kitaev theorem. Notably, for the inverse-free universal basis set, the achieved sequence length complexity is comparable with the inverse-based setting and dramatically advances previous methods. These empirical results contribute to improving the inverse-free Solovay-Kitaev theorem. In addition, for the first time, we demonstrate how to leverage RL-based quantum compilers to accomplish two-qubit operator compiling. The achieved results open an avenue for integrating RL with quantum compiling to unify efficiency and practicality and thus facilitate the exploration of quantum advantages.

We introduce qclab++, a light-weight, fully-templated C++ package for GPU-accelerated quantum circuit simulations. The code offers a high degree of portability as it has no external dependencies and the GPU kernels are generated through OpenMP offloading. qclab++ is designed for performance and numerical stability through highly optimized gate simulation algorithms for 1-qubit, controlled 1-qubit, and 2-qubit gates. Furthermore, we also introduce qclab, a quantum circuit toolbox for Matlab with a syntax that mimics qclab++. This provides users the flexibility and ease of use of a scripting language like Matlab for studying their quantum algorithms, while offering high-performance GPU acceleration when required. As such, the qclab++ library offers a unique combination of features. We compare the CPU simulator in qclab++ with the GPU kernels generated by OpenMP and observe a speedup of over 40times. Furthermore, we also compare qclab++ to other circuit simulation packages, such as cirq-qsim and qibo, in a series of benchmarks conducted on NERSC's Perlmutter system and illustrate its competitiveness.

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

We extend molecular bootstrap embedding to make it appropriate for implementation on a quantum computer. This enables solution of the electronic structure problem of a large molecule as an optimization problem for a composite Lagrangian governing fragments of the total system, in such a way that fragment solutions can harness the capabilities of quantum computers. By employing state-of-art quantum subroutines including the quantum SWAP test and quantum amplitude amplification, we show how a quadratic speedup can be obtained over the classical algorithm, in principle. Utilization of quantum computation also allows the algorithm to match -- at little additional computational cost -- full density matrices at fragment boundaries, instead of being limited to 1-RDMs. Current quantum computers are small, but quantum bootstrap embedding provides a potentially generalizable strategy for harnessing such small machines through quantum fragment matching.

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

We show that the majority of the inference computations for large generative models such as LLaMA and OPT can be performed with both weights and activations being cast to 4 bits, in a way that leads to practical speedups while at the same time maintaining good accuracy. We achieve this via a hybrid quantization strategy called QUIK, which compresses most of the weights and activations to 4-bit, while keeping some outlier weights and activations in higher-precision. Crucially, our scheme is designed with computational efficiency in mind: we provide GPU kernels with highly-efficient layer-wise runtimes, which lead to practical end-to-end throughput improvements of up to 3.1x relative to FP16 execution. Code and models are provided at https://github.com/IST-DASLab/QUIK.

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.

At the core of the Transformer, the Softmax normalizes the attention matrix to be right stochastic. Previous research has shown that this often destabilizes training and that enforcing the attention matrix to be doubly stochastic (through Sinkhorn's algorithm) consistently improves performance across different tasks, domains and Transformer flavors. However, Sinkhorn's algorithm is iterative, approximative, non-parametric and thus inflexible w.r.t. the obtained doubly stochastic matrix (DSM). Recently, it has been proven that DSMs can be obtained with a parametric quantum circuit, yielding a novel quantum inductive bias for DSMs with no known classical analogue. Motivated by this, we demonstrate the feasibility of a hybrid classical-quantum doubly stochastic Transformer (QDSFormer) that replaces the Softmax in the self-attention layer with a variational quantum circuit. We study the expressive power of the circuit and find that it yields more diverse DSMs that better preserve information than classical operators. Across multiple small-scale object recognition tasks, we find that our QDSFormer consistently surpasses both a standard Vision Transformer and other doubly stochastic Transformers. Beyond the established Sinkformer, this comparison includes a novel quantum-inspired doubly stochastic Transformer (based on QR decomposition) that can be of independent interest. The QDSFormer also shows improved training stability and lower performance variation suggesting that it may mitigate the notoriously unstable training of ViTs on small-scale data.

Quantum computing holds great potential for advancing the limitations of machine learning algorithms to handle higher dimensions of data and reduce overall training parameters in deep learning (DL) models. This study uses a trainable variational quantum circuit (VQC) on a gate-based quantum computing model to investigate the potential for quantum benefit in a model-free reinforcement learning problem. Through a comprehensive investigation and evaluation of the current model and capabilities of quantum computers, we designed and trained a novel hybrid quantum neural network based on the latest Qiskit and PyTorch framework. We compared its performance with a full-classical CNN with and without an incorporated VQC. Our research provides insights into the potential of deep quantum learning to solve a maze problem and, potentially, other reinforcement learning problems. We conclude that reinforcement learning problems can be practical with reasonable training epochs. Moreover, a comparative study of full-classical and hybrid quantum neural networks is discussed to understand these two approaches' performance, advantages, and disadvantages to deep-Q learning problems, especially on larger-scale maze problems larger than 4x4.

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.

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.

One approach to reducing the massive costs of large language models (LLMs) is the use of quantized or sparse representations for training or deployment. While post-training compression methods are very popular, the question of obtaining even more accurate compressed models by directly training over such representations, i.e., Quantization-Aware Training (QAT), is still open: for example, a recent study (arXiv:2411.04330v2) put the "optimal" bit-width at which models can be trained using QAT, while staying accuracy-competitive with standard FP16/BF16 precision, at 8-bits weights and activations. We advance this state-of-the-art via a new method called QuEST, which is Pareto-competitive with FP16, i.e., it provides better accuracy at lower model size, while training models with weights and activations in 4-bits or less. Moreover, QuEST allows stable training with 1-bit weights and activations. QuEST achieves this by improving two key aspects of QAT methods: (1) accurate and fast quantization of the (continuous) distributions of weights and activations via Hadamard normalization and MSE-optimal fitting; (2) a new trust gradient estimator based on the idea of explicitly minimizing the error between the noisy gradient computed over quantized states and the "true" (but unknown) full-precision gradient. Experiments on Llama-type architectures show that QuEST induces stable scaling laws across the entire range of hardware-supported precisions, and can be extended to sparse representations. We provide GPU kernel support showing that models produced by QuEST can be executed efficiently. Our code is available at https://github.com/IST-DASLab/QuEST.

Breakthroughs in machine learning (ML) and advances in quantum computing (QC) drive the interdisciplinary field of quantum machine learning to new levels. However, due to the susceptibility of ML models to adversarial attacks, practical use raises safety-critical concerns. Existing Randomized Smoothing (RS) certification methods for classical machine learning models are computationally intensive. In this paper, we propose the combination of QC and the concept of discrete randomized smoothing to speed up the stochastic certification of ML models for discrete data. We show how to encode all the perturbations of the input binary data in superposition and use Quantum Amplitude Estimation (QAE) to obtain a quadratic reduction in the number of calls to the model that are required compared to traditional randomized smoothing techniques. In addition, we propose a new binary threat model to allow for an extensive evaluation of our approach on images, graphs, and text.

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

Post-Training Quantization (PTQ) is an effective technique for compressing Large Language Models (LLMs). While many studies focus on quantizing both weights and activations, it is still a challenge to maintain the accuracy of LLM after activating quantization. To investigate the primary cause, we extend the concept of kernel from linear algebra to quantization functions to define a new term, "quantization kernel", which refers to the set of elements in activations that are quantized to zero. Through quantitative analysis of the quantization kernel, we find that these elements are crucial for maintaining the accuracy of quantized LLMs. With the decrease of quantization kernel, the precision of quantized LLMs increases. If the quantization kernel proportion is kept below 19% for OPT models and below 1% for LLaMA models, the precision loss from quantizing activations to INT8 becomes negligible. Motivated by the goal of developing a quantization method with small quantization kernel, we propose CrossQuant: a simple yet effective method for quantizing activations. CrossQuant cross-quantizes elements using row and column-wise absolute maximum vectors, achieving a quantization kernel of approximately 16% for OPT models and less than 0.1% for LLaMA models. Experimental results on LLMs (LLaMA, OPT) ranging from 6.7B to 70B parameters demonstrate that CrossQuant improves or maintains perplexity and accuracy in language modeling, zero-shot, and few-shot tasks.

The problem of minimizing the maximum of N convex, Lipschitz functions plays significant roles in optimization and machine learning. It has a series of results, with the most recent one requiring O(Nepsilon^{-2/3} + epsilon^{-8/3}) queries to a first-order oracle to compute an epsilon-suboptimal point. On the other hand, quantum algorithms for optimization are rapidly advancing with speedups shown on many important optimization problems. In this paper, we conduct a systematic study for quantum algorithms and lower bounds for minimizing the maximum of N convex, Lipschitz functions. On one hand, we develop quantum algorithms with an improved complexity bound of O(Nepsilon^{-5/3} + epsilon^{-8/3}). On the other hand, we prove that quantum algorithms must take Omega(Nepsilon^{-2/3}) queries to a first order quantum oracle, showing that our dependence on N is optimal up to poly-logarithmic factors.

The deployment of large language models (LLMs) is often constrained by memory bandwidth, where the primary bottleneck is the cost of transferring model parameters from the GPU's global memory to its registers. When coupled with custom kernels that fuse the dequantization and matmul operations, weight-only quantization can thus enable faster inference by reducing the amount of memory movement. However, developing high-performance kernels for weight-quantized LLMs presents substantial challenges, especially when the weights are compressed to non-evenly-divisible bit widths (e.g., 3 bits) with non-uniform, lookup table (LUT) quantization. This paper describes FLUTE, a flexible lookup table engine for LUT-quantized LLMs, which uses offline restructuring of the quantized weight matrix to minimize bit manipulations associated with unpacking, and vectorization and duplication of the lookup table to mitigate shared memory bandwidth constraints. At batch sizes < 32 and quantization group size of 128 (typical in LLM inference), the FLUTE kernel can be 2-4x faster than existing GEMM kernels. As an application of FLUTE, we explore a simple extension to lookup table-based NormalFloat quantization and apply it to quantize LLaMA3 to various configurations, obtaining competitive quantization performance against strong baselines while obtaining an end-to-end throughput increase of 1.5 to 2 times.

The emergence of hybrid quantum-classical machine learning (HQML) models opens new horizons of computational intelligence but their fundamental complexity frequently leads to black box behavior that undermines transparency and reliability in their application. Although XAI for quantum systems still in its infancy, a major research gap is evident in robust global and local explainability approaches that are designed for HQML architectures that employ quantized feature encoding followed by classical learning. The gap is the focus of this work, which introduces QuXAI, an framework based upon Q-MEDLEY, an explainer for explaining feature importance in these hybrid systems. Our model entails the creation of HQML models incorporating quantum feature maps, the use of Q-MEDLEY, which combines feature based inferences, preserving the quantum transformation stage and visualizing the resulting attributions. Our result shows that Q-MEDLEY delineates influential classical aspects in HQML models, as well as separates their noise, and competes well against established XAI techniques in classical validation settings. Ablation studies more significantly expose the virtues of the composite structure used in Q-MEDLEY. The implications of this work are critically important, as it provides a route to improve the interpretability and reliability of HQML models, thus promoting greater confidence and being able to engage in safer and more responsible use of quantum-enhanced AI technology.

Quantum Implicit Neural Representations (QINRs) include components for learning and execution on gate-based quantum computers. While QINRs recently emerged as a promising new paradigm, many challenges concerning their architecture and ansatz design, the utility of quantum-mechanical properties, training efficiency and the interplay with classical modules remain. This paper advances the field by introducing a new type of QINR for 2D image and 3D geometric field learning, which we collectively refer to as Quantum Visual Field (QVF). QVF encodes classical data into quantum statevectors using neural amplitude encoding grounded in a learnable energy manifold, ensuring meaningful Hilbert space embeddings. Our ansatz follows a fully entangled design of learnable parametrised quantum circuits, with quantum (unitary) operations performed in the real Hilbert space, resulting in numerically stable training with fast convergence. QVF does not rely on classical post-processing -- in contrast to the previous QINR learning approach -- and directly employs projective measurement to extract learned signals encoded in the ansatz. Experiments on a quantum hardware simulator demonstrate that QVF outperforms the existing quantum approach and widely used classical foundational baselines in terms of visual representation accuracy across various metrics and model characteristics, such as learning of high-frequency details. We also show applications of QVF in 2D and 3D field completion and 3D shape interpolation, highlighting its practical potential.

Quantum neural networks (QNNs) have emerged as a leading strategy to establish applications in machine learning, chemistry, and optimization. While the applications of QNN have been widely investigated, its theoretical foundation remains less understood. In this paper, we formulate a theoretical framework for the expressive ability of data re-uploading quantum neural networks that consist of interleaved encoding circuit blocks and trainable circuit blocks. First, we prove that single-qubit quantum neural networks can approximate any univariate function by mapping the model to a partial Fourier series. We in particular establish the exact correlations between the parameters of the trainable gates and the Fourier coefficients, resolving an open problem on the universal approximation property of QNN. Second, we discuss the limitations of single-qubit native QNNs on approximating multivariate functions by analyzing the frequency spectrum and the flexibility of Fourier coefficients. We further demonstrate the expressivity and limitations of single-qubit native QNNs via numerical experiments. We believe these results would improve our understanding of QNNs and provide a helpful guideline for designing powerful QNNs for machine learning tasks.

The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review specifically explores the potential of quantum neural networks on gate-based quantum computers within the context of drug discovery. We discuss the theoretical foundations of quantum machine learning, including data encoding, variational quantum circuits, and hybrid quantum-classical approaches. Applications to drug discovery are highlighted, including molecular property prediction and molecular generation. We provide a balanced perspective, emphasizing both the potential benefits and the challenges that must be addressed.

This paper introduces Quantum-PEFT that leverages quantum computations for parameter-efficient fine-tuning (PEFT). Unlike other additive PEFT methods, such as low-rank adaptation (LoRA), Quantum-PEFT exploits an underlying full-rank yet surprisingly parameter efficient quantum unitary parameterization. With the use of Pauli parameterization, the number of trainable parameters grows only logarithmically with the ambient dimension, as opposed to linearly as in LoRA-based PEFT methods. Quantum-PEFT achieves vanishingly smaller number of trainable parameters than the lowest-rank LoRA as dimensions grow, enhancing parameter efficiency while maintaining a competitive performance. We apply Quantum-PEFT to several transfer learning benchmarks in language and vision, demonstrating significant advantages in parameter efficiency.

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.

The emerging field of quantum computing has shown it might change how we process information by using the unique principles of quantum mechanics. As researchers continue to push the boundaries of quantum technologies to unprecedented levels, distributed quantum computing raises as an obvious path to explore with the aim of boosting the computational power of current quantum systems. This paper presents a comprehensive survey of the current state of the art in the distributed quantum computing field, exploring its foundational principles, landscape of achievements, challenges, and promising directions for further research. From quantum communication protocols to entanglement-based distributed algorithms, each aspect contributes to the mosaic of distributed quantum computing, making it an attractive approach to address the limitations of classical computing. Our objective is to provide an exhaustive overview for experienced researchers and field newcomers.

Implementing quantum game theory on real hardware is challenging due to noise, decoherence, and limited qubit connectivity, yet such demonstrations are essential to validate theoretical predictions. We present one of the first full experimental realizations of the Battle of the Sexes game under the Eisert-Wilkens-Lewenstein (EWL) framework on IBM Quantum's ibm sherbrooke superconducting processor. Four quantum strategies (I, H, R(pi/4), R(pi)) were evaluated across 31 entanglement values gamma in [0, pi] using 2048 shots per configuration, enabling a direct comparison between analytical predictions and hardware execution. To mitigate noise and variability, we introduce a Guided Circuit Mapping (GCM) method that dynamically selects qubit pairs and optimizes routing based on real-time topology and calibration data. The analytical model forecasts up to 108% payoff improvement over the classical equilibrium, and despite hardware-induced deviations, experimental results with GCM preserve the expected payoff trends within 3.5%-12% relative error. These findings show that quantum advantages in strategic coordination can persist under realistic NISQ conditions, providing a pathway toward practical applications of quantum game theory in multi-agent, economic, and distributed decision-making systems.