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Oct 30

Do Transformers Need Three Projections? Systematic Study of QKV Variants

Transformers have become the standard solution for various AI tasks, with the query, key, and value (QKV) attention formulation playing a central role. However, the individual contribution of these three projections and the impact of omitting some remain poorly understood. We systematically evaluate three projection sharing constraints: a) Q-K=V (shared key-value), b) Q=K-V (shared query-key), and c) Q=K=V (single projection). The last two variants produce symmetric attention maps; to address this, we also explore asymmetric attention via 2D positional encodings. Through experiments spanning synthetic tasks, vision (MNIST, CIFAR, TinyImageNet, anomaly), and language modeling (300M and 1.2B parameter models on 10B tokens), we discovered that our transformers perform on par or occasionally better than the QKV transformer. In language modeling, Q-K=V projection sharing achieves 50% KV cache reduction with only 3.1% perplexity degradation. Crucially, projection sharing is complementary to head sharing (GQA/MQA): combining Q-K=V with GQA-4 yields 87.5% cache reduction, while Q-K=V + MQA achieves 96.9%, enabling practical on-device inference. We show that Q-K=V preserves quality because keys and values can occupy similar representational spaces and attention operates in a low-rank regime, whereas Q=K-V breaks attention directionality. Our results systematically characterize projection sharing as an underexplored instance of weight tying in attention, with direct, quantifiable inference memory benefits, particularly valuable for edge deployment. The code is publicly available at https://github.com/Brainchip-Inc/Do-Transformers-Need-3-Projections

  • 3 authors
·
Jun 3

A Two-Parameter Weibull Framework for Diagnosing Transformer Weight Distributions

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

  • 1 authors
·
May 16

Quantum Visual Fields with Neural Amplitude Encoding

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.

  • 3 authors
·
Aug 14, 2025

Statistical Inference and Quality Measures of KV Cache Quantisations Inspired by TurboQuant

We analyse three KV cache quantization schemes under a fair bit budget: KV (scalar MSE baseline), KQV (WHT + MSE on K; WHT + MSE + QJL on V), and QKQV (WHT + MSE + QJL on both). Starting from the Beta distribution on the hypersphere, we trace how QJL on K inflates inner product variance by π/2, which softmax amplifies nonlinearly via Jensen's inequality, and we present statistical inference and information metrics to highlight practical differences. Three empirical findings emerge. (1)~At n=4 (the practically dominant budget), KQV wins on every measure -- KL divergence, geometric K error, and 6D distance -- across all distributions and ranks tested. (2)~The K--V asymmetry is unconditional: QKQV is consistently worse than KQV in KL divergence at every budget and distribution. (3)~A budget-dependent crossover exists: QKQV achieves better geometric K reconstruction at n in {2,3,5}, KQV at n in {4,6}, invariant to rank and tail weight -- an open rate-distortion problem. KL(p_{ref} | p_{quant}), K-only by construction, bridges K direction error to routing corruption and output collapse. We present a sufficient condition when the Jensen mechanism amplifies superlinearly through the softmax. At n in {2,3,5}, QKQV wins geometrically because this assumption does not bind. At n=4, elevated K error and KL divergence for QKQV strongly suggest the Jensen mechanism is the operative cause of the crossover, providing a new perspective and explanation.

  • 1 authors
·
Apr 26

Gated QKAN-FWP: Scalable Quantum-inspired Sequence Learning

Fast Weight Programmers (FWPs) encode temporal dependencies through dynamically updated parameters rather than recurrent hidden states. Quantum FWPs (QFWPs) extend this idea with variational quantum circuits (VQCs), but existing implementations rely on multi-qubit architectures that are difficult to scale on noisy intermediate-scale quantum (NISQ) devices and expensive to simulate classically. We propose gated QKAN-FWP, a fast-weight framework that integrates FWP with Quantum-inspired Kolmogorov-Arnold Network (QKAN) using single-qubit data re-uploading circuits as learnable nonlinear activation, known as DatA Re-Uploading ActivatioN (DARUAN). We further introduce a scalar-gated fast-weight update rule that stabilizes parameter evolution, supported by a theoretical analysis of its adaptive memory kernel, geometric boundedness, and parallelizable gradient paths. We evaluate the framework across time-series benchmarks, MiniGrid reinforcement learning, and highlight real-world solar cycle forecasting as our main practical result. In the long-horizon setting with 528-month input window and 132-month forecast horizon, our 12.5k-parameter model achieves lower scaled Mean Square Error (MSE), peak amplitude error, and peak timing error than a suite of classical recurrent baselines with up to 13x more parameters, including Long Short-Term Memory (LSTM) networks (25.9k-89.1k parameters), WaveNet-LSTM (167k), Vanilla recurrent neural network (11.5k), and a Modified Echo State Network (132k). To validate NISQ compatibility, we further deploy the trained fast programmer on IonQ and IBM Quantum processors, recovering forecasting accuracy within 0.1% relative MSE of the noiseless simulator at 1024 shots. These results position gated QKAN-FWP as a scalable, parameter-efficient, and NISQ-compatible approach to quantum-inspired sequence modeling.

  • 19 authors
·
May 6 2

PR-IQA: Partial-Reference Image Quality Assessment for Diffusion-Based Novel View Synthesis

Diffusion models are promising for sparse-view novel view synthesis (NVS), as they can generate pseudo-ground-truth views to aid 3D reconstruction pipelines like 3D Gaussian Splatting (3DGS). However, these synthesized images often contain photometric and geometric inconsistencies, and their direct use for supervision can impair reconstruction. To address this, we propose Partial-Reference Image Quality Assessment (PR-IQA), a framework that evaluates diffusion-generated views using reference images from different poses, eliminating the need for ground truth. PR-IQA first computes a geometrically consistent partial quality map in overlapping regions. It then performs quality completion to inpaint this partial map into a dense, full-image map. This completion is achieved via a cross-attention mechanism that incorporates reference-view context, ensuring cross-view consistency and enabling thorough quality assessment. When integrated into a diffusion-augmented 3DGS pipeline, PR-IQA restricts supervision to high-confidence regions identified by its quality maps. Experiments demonstrate that PR-IQA outperforms existing IQA methods, achieving full-reference-level accuracy without ground-truth supervision. Thus, our quality-aware 3DGS approach more effectively filters inconsistencies, producing superior 3D reconstructions and NVS results. The project page is available at https://kakaomacao.github.io/pr-iqa-project-page/.

  • 4 authors
·
Apr 6

VisionTS++: Cross-Modal Time Series Foundation Model with Continual Pre-trained Vision Backbones

Recent studies have indicated that vision models pre-trained on images can serve as time series foundation models (TSFMs) by reformulating time series forecasting (TSF) as image reconstruction. However, effective cross-modal transfer from vision to time series remains challenging due to three discrepancies: (1) the data-modality gap between structured, bounded image data and unbounded, heterogeneous time series; (2) the multivariate-forecasting gap between fixed RGB-three-channel vision models and time series with arbitrary numbers of variates; and (3) the probabilistic-forecasting gap between the deterministic outputs of vision models and the requirement for uncertainty-aware probabilistic predictions. To bridge these gaps, we propose VisonTS++, a TSFM based on continual pre-training of a vision model on large-scale time series. Our approach introduces three key innovations: (1) vision-model-based filtering to identify high-quality sequences to stabilize pre-training and mitigate modality gap; (2) colorized multivariate conversion, encoding multivariate series as multi-subfigure RGB images to enhance cross-variate modeling; (3) multi-quantile forecasting, using parallel reconstruction heads to generate quantile forecasts without parametric assumptions. Experiments show that VisionTS++ achieves state-of-the-art performance in both in-distribution and out-of-distribution forecasting, outperforming specialized TSFMs by 6%-44% in MSE reduction and ranking first in GIFT-Eval benchmark which comprises 23 datasets across 7 domains. Our work demonstrates that with appropriate adaptation, vision models can effectively generalize to TSF, thus advancing the pursuit of universal TSFMs. Code is available at https://github.com/HALF111/VisionTSpp.

  • 8 authors
·
Aug 6, 2025

QVGen: Pushing the Limit of Quantized Video Generative Models

Video diffusion models (DMs) have enabled high-quality video synthesis. Yet, their substantial computational and memory demands pose serious challenges to real-world deployment, even on high-end GPUs. As a commonly adopted solution, quantization has proven notable success in reducing cost for image DMs, while its direct application to video DMs remains ineffective. In this paper, we present QVGen, a novel quantization-aware training (QAT) framework tailored for high-performance and inference-efficient video DMs under extremely low-bit quantization (e.g., 4-bit or below). We begin with a theoretical analysis demonstrating that reducing the gradient norm is essential to facilitate convergence for QAT. To this end, we introduce auxiliary modules (Phi) to mitigate large quantization errors, leading to significantly enhanced convergence. To eliminate the inference overhead of Phi, we propose a rank-decay strategy that progressively eliminates Phi. Specifically, we repeatedly employ singular value decomposition (SVD) and a proposed rank-based regularization gamma to identify and decay low-contributing components. This strategy retains performance while zeroing out inference overhead. Extensive experiments across 4 state-of-the-art (SOTA) video DMs, with parameter sizes ranging from 1.3B sim14B, show that QVGen is the first to reach full-precision comparable quality under 4-bit settings. Moreover, it significantly outperforms existing methods. For instance, our 3-bit CogVideoX-2B achieves improvements of +25.28 in Dynamic Degree and +8.43 in Scene Consistency on VBench.

  • 7 authors
·
May 16, 2025 2

Quantum Krylov subspace algorithms for ground and excited state energy estimation

Quantum Krylov subspace diagonalization (QKSD) algorithms provide a low-cost alternative to the conventional quantum phase estimation algorithm for estimating the ground and excited-state energies of a quantum many-body system. While QKSD algorithms typically rely on using the Hadamard test for estimating Krylov subspace matrix elements of the form, langle ϕ_i|e^{-iHτ}|ϕ_j rangle, the associated quantum circuits require an ancilla qubit with controlled multi-qubit gates that can be quite costly for near-term quantum hardware. In this work, we show that a wide class of Hamiltonians relevant to condensed matter physics and quantum chemistry contain symmetries that can be exploited to avoid the use of the Hadamard test. We propose a multi-fidelity estimation protocol that can be used to compute such quantities showing that our approach, when combined with efficient single-fidelity estimation protocols, provides a substantial reduction in circuit depth. In addition, we develop a unified theory of quantum Krylov subspace algorithms and present three new quantum-classical algorithms for the ground and excited-state energy estimation problems, where each new algorithm provides various advantages and disadvantages in terms of total number of calls to the quantum computer, gate depth, classical complexity, and stability of the generalized eigenvalue problem within the Krylov subspace.

  • 2 authors
·
Oct 13, 2021

Adapting Quantum Machine Learning for Energy Dissociation of Bonds

Accurate prediction of bond dissociation energies (BDEs) underpins mechanistic insight and the rational design of molecules and materials. We present a systematic, reproducible benchmark comparing quantum and classical machine learning models for BDE prediction using a chemically curated feature set encompassing atomic properties (atomic numbers, hybridization), bond characteristics (bond order, type), and local environmental descriptors. Our quantum framework, implemented in Qiskit Aer on six qubits, employs ZZFeatureMap encodings with variational ansatz (RealAmplitudes) across multiple architectures Variational Quantum Regressors (VQR), Quantum Support Vector Regressors (QSVR), Quantum Neural Networks (QNN), Quantum Convolutional Neural Networks (QCNN), and Quantum Random Forests (QRF). These are rigorously benchmarked against strong classical baselines, including Support Vector Regression (SVR), Random Forests (RF), and Multi-Layer Perceptrons (MLP). Comprehensive evaluation spanning absolute and relative error metrics, threshold accuracies, and error distributions shows that top-performing quantum models (QCNN, QRF) match the predictive accuracy and robustness of classical ensembles and deep networks, particularly within the chemically prevalent mid-range BDE regime. These findings establish a transparent baseline for quantum-enhanced molecular property prediction and outline a practical foundation for advancing quantum computational chemistry toward near chemical accuracy.

  • 3 authors
·
Oct 7, 2025

Scalable Training for Vector-Quantized Networks with 100% Codebook Utilization

Vector quantization (VQ) is a key component in discrete tokenizers for image generation, but its training is often unstable due to straight-through estimation bias, one-step-behind updates, and sparse codebook gradients, which lead to suboptimal reconstruction performance and low codebook usage. In this work, we analyze these fundamental challenges and provide a simple yet effective solution. To maintain high codebook usage in VQ networks (VQN) during learning annealing and codebook size expansion, we propose VQBridge, a robust, scalable, and efficient projector based on the map function method. VQBridge optimizes code vectors through a compress-process-recover pipeline, enabling stable and effective codebook training. By combining VQBridge with learning annealing, our VQN achieves full (100%) codebook usage across diverse codebook configurations, which we refer to as FVQ (FullVQ). Through extensive experiments, we demonstrate that FVQ is effective, scalable, and generalizable: it attains 100% codebook usage even with a 262k-codebook, achieves state-of-the-art reconstruction performance, consistently improves with larger codebooks, higher vector channels, or longer training, and remains effective across different VQ variants. Moreover, when integrated with LlamaGen, FVQ significantly enhances image generation performance, surpassing visual autoregressive models (VAR) by 0.5 and diffusion models (DiT) by 0.2 rFID, highlighting the importance of high-quality tokenizers for strong autoregressive image generation.

  • 7 authors
·
Sep 12, 2025

Exponential concentration in quantum kernel methods

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

  • 4 authors
·
Apr 13, 2024

Expressivity of IQP Feature-Map Quantum Kernels via Reproducing Kernel Hilbert Spaces

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

  • 3 authors
·
Oct 16

Sampling-based sublinear low-rank matrix arithmetic framework for dequantizing quantum machine learning

We present an algorithmic framework for quantum-inspired classical algorithms on close-to-low-rank matrices, generalizing the series of results started by Tang's breakthrough quantum-inspired algorithm for recommendation systems [STOC'19]. Motivated by quantum linear algebra algorithms and the quantum singular value transformation (SVT) framework of Gilyén, Su, Low, and Wiebe [STOC'19], we develop classical algorithms for SVT that run in time independent of input dimension, under suitable quantum-inspired sampling assumptions. Our results give compelling evidence that in the corresponding QRAM data structure input model, quantum SVT does not yield exponential quantum speedups. Since the quantum SVT framework generalizes essentially all known techniques for quantum linear algebra, our results, combined with sampling lemmas from previous work, suffice to generalize all recent results about dequantizing quantum machine learning algorithms. In particular, our classical SVT framework recovers and often improves the dequantization results on recommendation systems, principal component analysis, supervised clustering, support vector machines, low-rank regression, and semidefinite program solving. We also give additional dequantization results on low-rank Hamiltonian simulation and discriminant analysis. Our improvements come from identifying the key feature of the quantum-inspired input model that is at the core of all prior quantum-inspired results: ell^2-norm sampling can approximate matrix products in time independent of their dimension. We reduce all our main results to this fact, making our exposition concise, self-contained, and intuitive.

  • 6 authors
·
Jul 9, 2023

Diffusion-Based Quality Control of Medical Image Segmentations across Organs

Medical image segmentation using deep learning (DL) has enabled the development of automated analysis pipelines for large-scale population studies. However, state-of-the-art DL methods are prone to hallucinations, which can result in anatomically implausible segmentations. With manual correction impractical at scale, automated quality control (QC) techniques have to address the challenge. While promising, existing QC methods are organ-specific, limiting their generalizability and usability beyond their original intended task. To overcome this limitation, we propose no-new Quality Control (nnQC), a robust QC framework based on a diffusion-generative paradigm that self-adapts to any input organ dataset. Central to nnQC is a novel Team of Experts (ToE) architecture, where two specialized experts independently encode 3D spatial awareness, represented by the relative spatial position of an axial slice, and anatomical information derived from visual features from the original image. A weighted conditional module dynamically combines the pair of independent embeddings, or opinions to condition the sampling mechanism within a diffusion process, enabling the generation of a spatially aware pseudo-ground truth for predicting QC scores. Within its framework, nnQC integrates fingerprint adaptation to ensure adaptability across organs, datasets, and imaging modalities. We evaluated nnQC on seven organs using twelve publicly available datasets. Our results demonstrate that nnQC consistently outperforms state-of-the-art methods across all experiments, including cases where segmentation masks are highly degraded or completely missing, confirming its versatility and effectiveness across different organs.

  • 7 authors
·
Mar 29

Every View Counts: View-Consistent Panoptic Quality for Multi-view Panoptic Segmentation

Multi-view panoptic segmentation assigns a semantic class and a scene-level instance ID to every pixel of an unordered set of images, and recent feed-forward 3D models predict these labels for the input views in a single forward pass. Their predictions, however, have been evaluated with the scene-level PQ (PQ^scene) borrowed from per-scene optimization methods, typically on rendered held-out views. PQ^scene tiles all views of a scene into a single image, so that a missed appearance or a change of ID lowers the score of the matched pair only in proportion to its area. We propose View-Consistent Panoptic Quality (VC-PQ), which extends PQ from a single image to a set of input views, counts equally every view in which an instance is visible, and penalizes a prediction that is not visible in the same views as its ground truth. A decomposition of VC-PQ attributes the score a method loses to mask accuracy, view consistency, and the matching threshold. A single additional parameter recovers the area weighting of tiling for comparison. Under a fixed evaluation protocol on ScanNet++ and ScanNetv2, recent feed-forward methods are evaluated with VC-PQ and PQ^scene, and the decomposition shows where each of them loses its score. Controlled perturbations of the ground truth show that VC-PQ responds to the number of views in which an instance is missed or changes ID, whereas PQ^scene responds to their area. The aim of this work is to make view consistency part of the evaluation of multi-view panoptic segmentation, with VC-PQ reported alongside PQ^scene.

  • 4 authors
·
Oct 4

VaLID: Variable-Length Input Diffusion for Novel View Synthesis

Novel View Synthesis (NVS), which tries to produce a realistic image at the target view given source view images and their corresponding poses, is a fundamental problem in 3D Vision. As this task is heavily under-constrained, some recent work, like Zero123, tries to solve this problem with generative modeling, specifically using pre-trained diffusion models. Although this strategy generalizes well to new scenes, compared to neural radiance field-based methods, it offers low levels of flexibility. For example, it can only accept a single-view image as input, despite realistic applications often offering multiple input images. This is because the source-view images and corresponding poses are processed separately and injected into the model at different stages. Thus it is not trivial to generalize the model into multi-view source images, once they are available. To solve this issue, we try to process each pose image pair separately and then fuse them as a unified visual representation which will be injected into the model to guide image synthesis at the target-views. However, inconsistency and computation costs increase as the number of input source-view images increases. To solve these issues, the Multi-view Cross Former module is proposed which maps variable-length input data to fix-size output data. A two-stage training strategy is introduced to further improve the efficiency during training time. Qualitative and quantitative evaluation over multiple datasets demonstrates the effectiveness of the proposed method against previous approaches. The code will be released according to the acceptance.

  • 6 authors
·
Dec 14, 2023

Q-Sched: Pushing the Boundaries of Few-Step Diffusion Models with Quantization-Aware Scheduling

Text-to-image diffusion models are computationally intensive, often requiring dozens of forward passes through large transformer backbones. For instance, Stable Diffusion XL generates high-quality images with 50 evaluations of a 2.6B-parameter model, an expensive process even for a single batch. Few-step diffusion models reduce this cost to 2-8 denoising steps but still depend on large, uncompressed U-Net or diffusion transformer backbones, which are often too costly for full-precision inference without datacenter GPUs. These requirements also limit existing post-training quantization methods that rely on full-precision calibration. We introduce Q-Sched, a new paradigm for post-training quantization that modifies the diffusion model scheduler rather than model weights. By adjusting the few-step sampling trajectory, Q-Sched achieves full-precision accuracy with a 4x reduction in model size. To learn quantization-aware pre-conditioning coefficients, we propose the JAQ loss, which combines text-image compatibility with an image quality metric for fine-grained optimization. JAQ is reference-free and requires only a handful of calibration prompts, avoiding full-precision inference during calibration. Q-Sched delivers substantial gains: a 15.5% FID improvement over the FP16 4-step Latent Consistency Model and a 16.6% improvement over the FP16 8-step Phased Consistency Model, showing that quantization and few-step distillation are complementary for high-fidelity generation. A large-scale user study with more than 80,000 annotations further confirms Q-Sched's effectiveness on both FLUX.1[schnell] and SDXL-Turbo.

  • 2 authors
·
Sep 1, 2025 2

Toward Real-world BEV Perception: Depth Uncertainty Estimation via Gaussian Splatting

Bird's-eye view (BEV) perception has gained significant attention because it provides a unified representation to fuse multiple view images and enables a wide range of down-stream autonomous driving tasks, such as forecasting and planning. Recent state-of-the-art models utilize projection-based methods which formulate BEV perception as query learning to bypass explicit depth estimation. While we observe promising advancements in this paradigm, they still fall short of real-world applications because of the lack of uncertainty modeling and expensive computational requirement. In this work, we introduce GaussianLSS, a novel uncertainty-aware BEV perception framework that revisits unprojection-based methods, specifically the Lift-Splat-Shoot (LSS) paradigm, and enhances them with depth un-certainty modeling. GaussianLSS represents spatial dispersion by learning a soft depth mean and computing the variance of the depth distribution, which implicitly captures object extents. We then transform the depth distribution into 3D Gaussians and rasterize them to construct uncertainty-aware BEV features. We evaluate GaussianLSS on the nuScenes dataset, achieving state-of-the-art performance compared to unprojection-based methods. In particular, it provides significant advantages in speed, running 2.5x faster, and in memory efficiency, using 0.3x less memory compared to projection-based methods, while achieving competitive performance with only a 0.4% IoU difference.

  • 3 authors
·
Apr 2, 2025

RiverONE: Generating Knowledge-Intensive VLM by Simulated Quantum Machines

Quantum computing provides a powerful paradigm for representing and transforming high-dimensional information through superposition, entanglement, and measurement-induced nonlinear features. While current quantum hardware is not yet practical for direct large-scale vision-language model (VLM) inference, simulated quantum computation can be used during model construction to generate structured parameters for compact classical AI systems. We build RiverONE, a lightweight vision-language model for quantum calibration plot understanding, using simulated quantum computation. It employs a specialized visual encoder and an InternVL-based language backbone. To compensate for compression-induced information loss, we introduce quantum-generated parameters, which are materialized as classical tensors after training. This allows RiverONE to run entirely on classical GPUs at inference time, with no quantum hardware or runtime quantum simulation. With approximately 1.9 billion parameters, RiverONE achieves at least 95\% of the performance of NVIDIA Ising Calibration 1 on quantum calibration plot understanding tasks while using less than 10\% of its parameter count. These results suggest that simulated quantum computation can serve as a practical construction-stage mechanism for building lightweight, knowledge-intensive scientific VLMs. Our code is available at https://github.com/THeWakeSystems/RiverOne.

  • 14 authors
·
Jun 28

QR-SPPS: Quantum-Native Retail Supply Chain Risk Simulation via VQE, ADAPT-VQE Counterfactual Policy Ranking, and DOS-QPE Boltzmann Tail Risk Quantification

Classical supply chain risk models treat node failures as statistically independent events, systematically underestimating cascade probabilities when supplier dependencies are strongly correlated. At n=40 nodes, the full correlated failure distribution requires O(2^n) classical samples, a regime where exact simulation demands 17.6 TB of memory and over 369,000 hours of computation on a standard workstation. We present QR-SPPS (Quantum-Native Retail Shock Propagation and Policy Stress Simulator), a three-algorithm quantum pipeline implemented using the Qiskit framework with the Aer statevector_simulator backend. First, a 40-node, 4-tier retail supply network is encoded as a 40-qubit Ising Hamiltonian using OpenFermion QubitOperator, where ZZ coupling terms encode correlated cascade probabilities structurally absent from classical Monte Carlo. Second, a hardware-efficient VQE circuit finds the ground-state stress distribution with zero error, detecting entangled cascade failures in 14/40 nodes with max|ΔP|=0.637 versus classical Monte Carlo. Third, we introduce the first application of ADAPT-VQE gradient screening to counterfactual macroeconomic policy evaluation: six crisis interventions are ranked in O(1) Qiskit operator evaluations per policy, a 287x speedup over sequential VQE re-optimisation. Fourth, Density-of-States QPE (DOS-QPE) reconstructs the full eigenspectrum via 32-step Trotter evolution and introduces a novel mapping of the Boltzmann catastrophe probability P_cat(T) to VIX-equivalent market volatility temperature, enabling direct integration into regulatory Value-at-Risk frameworks. Qiskit Aer scaling benchmarks confirm exponential classical intractability at 40 qubits.

  • 1 authors
·
Mar 20

VQ-Seg: Vector-Quantized Token Perturbation for Semi-Supervised Medical Image Segmentation

Consistency learning with feature perturbation is a widely used strategy in semi-supervised medical image segmentation. However, many existing perturbation methods rely on dropout, and thus require a careful manual tuning of the dropout rate, which is a sensitive hyperparameter and often difficult to optimize and may lead to suboptimal regularization. To overcome this limitation, we propose VQ-Seg, the first approach to employ vector quantization (VQ) to discretize the feature space and introduce a novel and controllable Quantized Perturbation Module (QPM) that replaces dropout. Our QPM perturbs discrete representations by shuffling the spatial locations of codebook indices, enabling effective and controllable regularization. To mitigate potential information loss caused by quantization, we design a dual-branch architecture where the post-quantization feature space is shared by both image reconstruction and segmentation tasks. Moreover, we introduce a Post-VQ Feature Adapter (PFA) to incorporate guidance from a foundation model (FM), supplementing the high-level semantic information lost during quantization. Furthermore, we collect a large-scale Lung Cancer (LC) dataset comprising 828 CT scans annotated for central-type lung carcinoma. Extensive experiments on the LC dataset and other public benchmarks demonstrate the effectiveness of our method, which outperforms state-of-the-art approaches. Code available at: https://github.com/script-Yang/VQ-Seg.

  • 3 authors
·
Jan 15 2

A Comparative Study of Quantum Optimization Techniques for Solving Combinatorial Optimization Benchmark Problems

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.

  • 2 authors
·
Mar 15, 2025

Quantized Visual Geometry Grounded Transformer

Learning-based 3D reconstruction models, represented by Visual Geometry Grounded Transformers (VGGTs), have made remarkable progress with the use of large-scale transformers. Their prohibitive computational and memory costs severely hinder real-world deployment. Post-Training Quantization (PTQ) has become a common practice for compressing and accelerating models. However, we empirically observe that PTQ faces unique obstacles when compressing billion-scale VGGTs: the data-independent special tokens induce heavy-tailed activation distributions, while the multi-view nature of 3D data makes calibration sample selection highly unstable. This paper proposes the first Quantization framework for VGGTs, namely QuantVGGT. This mainly relies on two technical contributions: First, we introduce Dual-Smoothed Fine-Grained Quantization, which integrates pre-global Hadamard rotation and post-local channel smoothing to mitigate heavy-tailed distributions and inter-channel variance robustly. Second, we design Noise-Filtered Diverse Sampling, which filters outliers via deep-layer statistics and constructs frame-aware diverse calibration clusters to ensure stable quantization ranges. Comprehensive experiments demonstrate that QuantVGGT achieves the state-of-the-art results across different benchmarks and bit-width, surpassing the previous state-of-the-art generic quantization method with a great margin. We highlight that our 4-bit QuantVGGT can deliver a 3.7times memory reduction and 2.5times acceleration in real-hardware inference, while maintaining reconstruction accuracy above 98\% of its full-precision counterpart. This demonstrates the vast advantages and practicality of QuantVGGT in resource-constrained scenarios. Our code is released in https://github.com/wlfeng0509/QuantVGGT.

  • 11 authors
·
Sep 25, 2025 2

KVQ: Kwai Video Quality Assessment for Short-form Videos

Short-form UGC video platforms, like Kwai and TikTok, have been an emerging and irreplaceable mainstream media form, thriving on user-friendly engagement, and kaleidoscope creation, etc. However, the advancing content-generation modes, e.g., special effects, and sophisticated processing workflows, e.g., de-artifacts, have introduced significant challenges to recent UGC video quality assessment: (i) the ambiguous contents hinder the identification of quality-determined regions. (ii) the diverse and complicated hybrid distortions are hard to distinguish. To tackle the above challenges and assist in the development of short-form videos, we establish the first large-scale Kaleidoscope short Video database for Quality assessment, termed KVQ, which comprises 600 user-uploaded short videos and 3600 processed videos through the diverse practical processing workflows, including pre-processing, transcoding, and enhancement. Among them, the absolute quality score of each video and partial ranking score among indistinguishable samples are provided by a team of professional researchers specializing in image processing. Based on this database, we propose the first short-form video quality evaluator, i.e., KSVQE, which enables the quality evaluator to identify the quality-determined semantics with the content understanding of large vision language models (i.e., CLIP) and distinguish the distortions with the distortion understanding module. Experimental results have shown the effectiveness of KSVQE on our KVQ database and popular VQA databases.

  • 9 authors
·
Feb 11, 2024

Scaling the Codebook Size of VQGAN to 100,000 with a Utilization Rate of 99%

In the realm of image quantization exemplified by VQGAN, the process encodes images into discrete tokens drawn from a codebook with a predefined size. Recent advancements, particularly with LLAMA 3, reveal that enlarging the codebook significantly enhances model performance. However, VQGAN and its derivatives, such as VQGAN-FC (Factorized Codes) and VQGAN-EMA, continue to grapple with challenges related to expanding the codebook size and enhancing codebook utilization. For instance, VQGAN-FC is restricted to learning a codebook with a maximum size of 16,384, maintaining a typically low utilization rate of less than 12% on ImageNet. In this work, we propose a novel image quantization model named VQGAN-LC (Large Codebook), which extends the codebook size to 100,000, achieving an utilization rate exceeding 99%. Unlike previous methods that optimize each codebook entry, our approach begins with a codebook initialized with 100,000 features extracted by a pre-trained vision encoder. Optimization then focuses on training a projector that aligns the entire codebook with the feature distributions of the encoder in VQGAN-LC. We demonstrate the superior performance of our model over its counterparts across a variety of tasks, including image reconstruction, image classification, auto-regressive image generation using GPT, and image creation with diffusion- and flow-based generative models. Code and models are available at https://github.com/zh460045050/VQGAN-LC.

  • 4 authors
·
Jun 17, 2024

Q-Hawkeye: Reliable Visual Policy Optimization for Image Quality Assessment

Image Quality Assessment (IQA) predicts perceptual quality scores consistent with human judgments. Recent RL-based IQA methods built on MLLMs focus on generating visual quality descriptions and scores, ignoring two key reliability limitations: (i) although the model's prediction stability varies significantly across training samples, existing GRPO-based methods apply uniform advantage weighting, thereby amplifying noisy signals from unstable samples in gradient updates; (ii) most works emphasize text-grounded reasoning over images while overlooking the model's visual perception ability of image content. In this paper, we propose Q-Hawkeye, an RL-based reliable visual policy optimization framework that redesigns the learning signal through unified Uncertainty-Aware Dynamic Optimization and Perception-Aware Optimization. Q-Hawkeye estimates predictive uncertainty using the variance of predicted scores across multiple rollouts and leverages this uncertainty to reweight each sample's update strength, stabilizing policy optimization. To strengthen perceptual reliability, we construct paired inputs of degraded images and their original images and introduce an Implicit Perception Loss that constrains the model to ground its quality judgments in genuine visual evidence. Extensive experiments demonstrate that Q-Hawkeye outperforms state-of-the-art methods and generalizes better across multiple datasets. Our dataset and code are available at https://github.com/AMAP-ML/Q-Hawkeye.

  • 7 authors
·
Jan 30

One More Time: Revisiting Neural Quantum States from a Reinforcement Learning Perspective

Neural quantum states (NQS) provide a flexible and scalable framework for approximating quantum many-body wavefunctions. Among NQS parameterizations, autoregressive models are especially attractive because they enable exact, independent sampling from the Born distribution, avoiding the autocorrelation and mixing issues of Markov chain methods. Yet their optimization remains comparatively underexplored: Adam is a scalable method but ignores function space geometry, while stochastic reconfiguration is principled but costly and numerically fragile in large models. To address this gap, we show that variational energy minimization can be viewed as an advantage policy-gradient problem over the Born distribution, motivating trust-region optimization for NQS training. We introduce Proximal Wavefunction Optimization (PWO), a principled trust-region algorithm that clips probability-ratio changes in the amplitude channel and phase increments in the phase channel. PWO avoids explicit matrix inversion, reuses samples across multiple updates, and combines the scalability of first-order optimization with theoretical guarantees. Across Ising and frustrated J_1-J_2 one- and two-dimensional spin systems, PWO improves stability and wall-clock convergence over Adam, minSR, and SPRING. Finally, we fine-tune a 1.5B-parameter RWKV-7 model, demonstrating NQS optimization at a scale over three orders of magnitude beyond prior work.

  • 7 authors
·
Jul 1

VQ4DiT: Efficient Post-Training Vector Quantization for Diffusion Transformers

The Diffusion Transformers Models (DiTs) have transitioned the network architecture from traditional UNets to transformers, demonstrating exceptional capabilities in image generation. Although DiTs have been widely applied to high-definition video generation tasks, their large parameter size hinders inference on edge devices. Vector quantization (VQ) can decompose model weight into a codebook and assignments, allowing extreme weight quantization and significantly reducing memory usage. In this paper, we propose VQ4DiT, a fast post-training vector quantization method for DiTs. We found that traditional VQ methods calibrate only the codebook without calibrating the assignments. This leads to weight sub-vectors being incorrectly assigned to the same assignment, providing inconsistent gradients to the codebook and resulting in a suboptimal result. To address this challenge, VQ4DiT calculates the candidate assignment set for each weight sub-vector based on Euclidean distance and reconstructs the sub-vector based on the weighted average. Then, using the zero-data and block-wise calibration method, the optimal assignment from the set is efficiently selected while calibrating the codebook. VQ4DiT quantizes a DiT XL/2 model on a single NVIDIA A100 GPU within 20 minutes to 5 hours depending on the different quantization settings. Experiments show that VQ4DiT establishes a new state-of-the-art in model size and performance trade-offs, quantizing weights to 2-bit precision while retaining acceptable image generation quality.

  • 6 authors
·
Aug 30, 2024 2

Generative Quantum-inspired Kolmogorov-Arnold Eigensolver

High-performance computing (HPC) is increasingly important for scalable quantum chemistry workflows that couple classical generative models, quantum circuit simulation, and selected configuration interaction postprocessing. We present the generative quantum-inspired Kolmogorov-Arnold eigensolver (GQKAE), a parameter-efficient extension of the generative quantum eigensolver (GQE) for quantum chemistry. GQKAE replaces the parameter-heavy feed-forward network components in GPT-style generative eigensolvers with hybrid quantum-inspired Kolmogorov-Arnold network modules, forming a compact HQKANsformer backbone. The method preserves autoregressive operator selection and the quantum-selected configuration interaction evaluation pipeline, while using single-qubit DatA Re-Uploading ActivatioN modules to provide expressive nonlinear mappings. Numerical benchmarks on H4, N2, LiH, C2H6, H2O, and the H2O dimer show that GQKAE achieves chemical accuracy comparable to the GPT-based GQE architecture, while reducing trainable parameters and memory by approximately 66% and improving wall-time performance. For strongly correlated systems such as N2 and LiH, GQKAE also improves convergence behavior and final energy errors. These results indicate that quantum-inspired Kolmogorov-Arnold networks can reduce classical-side overhead while preserving circuit-generation quality, offering a scalable route for HPC-quantum co-design on near-term quantum platforms.

  • 12 authors
·
May 5 2

Real-Time Krylov Theory for Quantum Computing Algorithms

Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in extracting eigenstate information, but the full capabilities of such approaches are still not understood. In recent work, we developed the variational quantum phase estimation (VQPE) method, a compact and efficient real-time algorithm to extract eigenvalues on quantum hardware. Here we build on that work by theoretically and numerically exploring a generalized Krylov scheme where the Krylov subspace is constructed through a parametrized real-time evolution, which applies to the VQPE algorithm as well as others. We establish an error bound that justifies the fast convergence of our spectral approximation. We also derive how the overlap with high energy eigenstates becomes suppressed from real-time subspace diagonalization and we visualize the process that shows the signature phase cancellations at specific eigenenergies. We investigate various algorithm implementations and consider performance when stochasticity is added to the target Hamiltonian in the form of spectral statistics. To demonstrate the practicality of such real-time evolution, we discuss its application to fundamental problems in quantum computation such as electronic structure predictions for strongly correlated systems.

  • 6 authors
·
Jun 9, 2023

GS-ProCams: Gaussian Splatting-based Projector-Camera Systems

We present GS-ProCams, the first Gaussian Splatting-based framework for projector-camera systems (ProCams). GS-ProCams is not only view-agnostic but also significantly enhances the efficiency of projection mapping (PM) that requires establishing geometric and radiometric mappings between the projector and the camera. Previous CNN-based ProCams are constrained to a specific viewpoint, limiting their applicability to novel perspectives. In contrast, NeRF-based ProCams support view-agnostic projection mapping, however, they require an additional co-located light source and demand significant computational and memory resources. To address this issue, we propose GS-ProCams that employs 2D Gaussian for scene representations, and enables efficient view-agnostic ProCams applications. In particular, we explicitly model the complex geometric and photometric mappings of ProCams using projector responses, the projection surface's geometry and materials represented by Gaussians, and the global illumination component. Then, we employ differentiable physically-based rendering to jointly estimate them from captured multi-view projections. Compared to state-of-the-art NeRF-based methods, our GS-ProCams eliminates the need for additional devices, achieving superior ProCams simulation quality. It also uses only 1/10 of the GPU memory for training and is 900 times faster in inference speed. Please refer to our project page for the code and dataset: https://realqingyue.github.io/GS-ProCams/.

  • 4 authors
·
Dec 16, 2024

KVQ: Boosting Video Quality Assessment via Saliency-guided Local Perception

Video Quality Assessment (VQA), which intends to predict the perceptual quality of videos, has attracted increasing attention. Due to factors like motion blur or specific distortions, the quality of different regions in a video varies. Recognizing the region-wise local quality within a video is beneficial for assessing global quality and can guide us in adopting fine-grained enhancement or transcoding strategies. Due to the heavy cost of annotating region-wise quality, the lack of ground truth constraints from relevant datasets further complicates the utilization of local perception. Inspired by the Human Visual System (HVS) that links global quality to the local texture of different regions and their visual saliency, we propose a Kaleidoscope Video Quality Assessment (KVQ) framework, which aims to effectively assess both saliency and local texture, thereby facilitating the assessment of global quality. Our framework extracts visual saliency and allocates attention using Fusion-Window Attention (FWA) while incorporating a Local Perception Constraint (LPC) to mitigate the reliance of regional texture perception on neighboring areas. KVQ obtains significant improvements across multiple scenarios on five VQA benchmarks compared to SOTA methods. Furthermore, to assess local perception, we establish a new Local Perception Visual Quality (LPVQ) dataset with region-wise annotations. Experimental results demonstrate the capability of KVQ in perceiving local distortions. KVQ models and the LPVQ dataset will be available at https://github.com/qyp2000/KVQ.

  • 6 authors
·
Mar 13, 2025

OCTOPUS: Optimized KV Cache for Transformers via Octahedral Parametrization Under optimal Squared error quantization

The key-value (KV) cache dominates memory bandwidth and footprint in long-context autoregressive inference. Recent rotation-preconditioned codecs (TurboQuant, PolarQuant) show that a structured random rotation followed by a per-coordinate scalar quantizer matched to an analytically tractable marginal is a near-optimal recipe for KV compression. OCTOPUS advances this paradigm through joint quantization of rotated coordinate triplets. Each triplet's direction is mapped to a square via an octahedral parameterization, and the two resulting coordinates and the triplet norm are Lloyd-Max quantized against implementation-matched marginals. Optimizing the per-triplet squared error gives a strictly non-uniform bit allocation depending only on the total dimensionality of the keys. We find the finite-dimensional quality optimum with sweeps to be constant on every real decoder we test. The codec is data-oblivious, online, and deterministic given a seed. Across text, video, and audio, OCTOPUS matches or beats every prior rotation codec at every reported bit width and metric, with a lead that grows as bits drop for extreme compression. Furthermore, a fused Triton implementation reconstructs keys on the fly without materializing the uncompressed key, so the codec adds no decode-time bandwidth or latency over the existing dequantization. Project Page: https://octopus-quant.github.io/

stabilityai Stability AI
·
May 19 1

MV-Map: Offboard HD-Map Generation with Multi-view Consistency

While bird's-eye-view (BEV) perception models can be useful for building high-definition maps (HD-Maps) with less human labor, their results are often unreliable and demonstrate noticeable inconsistencies in the predicted HD-Maps from different viewpoints. This is because BEV perception is typically set up in an 'onboard' manner, which restricts the computation and consequently prevents algorithms from reasoning multiple views simultaneously. This paper overcomes these limitations and advocates a more practical 'offboard' HD-Map generation setup that removes the computation constraints, based on the fact that HD-Maps are commonly reusable infrastructures built offline in data centers. To this end, we propose a novel offboard pipeline called MV-Map that capitalizes multi-view consistency and can handle an arbitrary number of frames with the key design of a 'region-centric' framework. In MV-Map, the target HD-Maps are created by aggregating all the frames of onboard predictions, weighted by the confidence scores assigned by an 'uncertainty network'. To further enhance multi-view consistency, we augment the uncertainty network with the global 3D structure optimized by a voxelized neural radiance field (Voxel-NeRF). Extensive experiments on nuScenes show that our MV-Map significantly improves the quality of HD-Maps, further highlighting the importance of offboard methods for HD-Map generation.

  • 3 authors
·
May 15, 2023

Cylindric plane partitions, Lambda determinants, Commutants in semicircular systems

This thesis is divided into three parts. The first part deals with cylindric plane partitions. The second with lambda-determinants and the third with commutators in semi-circular systems. For more detailed abstract please see inside. Cylindric plane partitions may be thought of as a natural generalization of reverse plane partitions. A generating series for the enumeration of cylindric plane partitions was recently given by Borodin. The first result of section one is a new bijective proof of Borodin's identity which makes use of Fomin's growth diagram framework for generalized RSK correspondences. The second result is a (q,t)-analog of Borodin's identity which extends previous work by Okada in the reverse plane partition case. The third result is an explicit combinatorial interpretation of the Macdonald weight occurring in the (q,t)-analog using the non-intersecting lattice path model for cylindric plane partitions. Alternating sign matrices were discovered by Robbins and Rumsey whilst studying λ-determinants. In the second part of this thesis we prove a multi-parameter generalization of the λ-determinant, generalizing a recent result by di Francesco. Like the original λ-determinant, our formula exhibits the Laurent phenomenon. Semicircular systems were first introduced by Voiculescu as a part of his study of von Neumann algebras. In the third part of this thesis we study certain commutator subalgebras of the semicircular system. We find a projection matrix with an interesting self-similar structure. Making use of our projection formula we given an alternative, elementary proof that the semicircular system is a factor.

  • 1 authors
·
Oct 25, 2021

QuXAI: Explainers for Hybrid Quantum Machine Learning Models

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.

  • 6 authors
·
May 15, 2025 3

MonoDGP: Monocular 3D Object Detection with Decoupled-Query and Geometry-Error Priors

Perspective projection has been extensively utilized in monocular 3D object detection methods. It introduces geometric priors from 2D bounding boxes and 3D object dimensions to reduce the uncertainty of depth estimation. However, due to depth errors originating from the object's visual surface, the height of the bounding box often fails to represent the actual projected central height, which undermines the effectiveness of geometric depth. Direct prediction for the projected height unavoidably results in a loss of 2D priors, while multi-depth prediction with complex branches does not fully leverage geometric depth. This paper presents a Transformer-based monocular 3D object detection method called MonoDGP, which adopts perspective-invariant geometry errors to modify the projection formula. We also try to systematically discuss and explain the mechanisms and efficacy behind geometry errors, which serve as a simple but effective alternative to multi-depth prediction. Additionally, MonoDGP decouples the depth-guided decoder and constructs a 2D decoder only dependent on visual features, providing 2D priors and initializing object queries without the disturbance of 3D detection. To further optimize and fine-tune input tokens of the transformer decoder, we also introduce a Region Segment Head (RSH) that generates enhanced features and segment embeddings. Our monocular method demonstrates state-of-the-art performance on the KITTI benchmark without extra data. Code is available at https://github.com/PuFanqi23/MonoDGP.

  • 4 authors
·
Oct 25, 2024

Consolidating Attention Features for Multi-view Image Editing

Large-scale text-to-image models enable a wide range of image editing techniques, using text prompts or even spatial controls. However, applying these editing methods to multi-view images depicting a single scene leads to 3D-inconsistent results. In this work, we focus on spatial control-based geometric manipulations and introduce a method to consolidate the editing process across various views. We build on two insights: (1) maintaining consistent features throughout the generative process helps attain consistency in multi-view editing, and (2) the queries in self-attention layers significantly influence the image structure. Hence, we propose to improve the geometric consistency of the edited images by enforcing the consistency of the queries. To do so, we introduce QNeRF, a neural radiance field trained on the internal query features of the edited images. Once trained, QNeRF can render 3D-consistent queries, which are then softly injected back into the self-attention layers during generation, greatly improving multi-view consistency. We refine the process through a progressive, iterative method that better consolidates queries across the diffusion timesteps. We compare our method to a range of existing techniques and demonstrate that it can achieve better multi-view consistency and higher fidelity to the input scene. These advantages allow us to train NeRFs with fewer visual artifacts, that are better aligned with the target geometry.

  • 5 authors
·
Feb 22, 2024 1

QKSAN: A Quantum Kernel Self-Attention Network

Self-Attention Mechanism (SAM) excels at distilling important information from the interior of data to improve the computational efficiency of models. Nevertheless, many Quantum Machine Learning (QML) models lack the ability to distinguish the intrinsic connections of information like SAM, which limits their effectiveness on massive high-dimensional quantum data. To tackle the above issue, a Quantum Kernel Self-Attention Mechanism (QKSAM) is introduced to combine the data representation merit of Quantum Kernel Methods (QKM) with the efficient information extraction capability of SAM. Further, a Quantum Kernel Self-Attention Network (QKSAN) framework is proposed based on QKSAM, which ingeniously incorporates the Deferred Measurement Principle (DMP) and conditional measurement techniques to release half of quantum resources by mid-circuit measurement, thereby bolstering both feasibility and adaptability. Simultaneously, the Quantum Kernel Self-Attention Score (QKSAS) with an exponentially large characterization space is spawned to accommodate more information and determine the measurement conditions. Eventually, four QKSAN sub-models are deployed on PennyLane and IBM Qiskit platforms to perform binary classification on MNIST and Fashion MNIST, where the QKSAS tests and correlation assessments between noise immunity and learning ability are executed on the best-performing sub-model. The paramount experimental finding is that a potential learning advantage is revealed in partial QKSAN subclasses that acquire an impressive more than 98.05% high accuracy with very few parameters that are much less in aggregate than classical machine learning models. Predictably, QKSAN lays the foundation for future quantum computers to perform machine learning on massive amounts of data while driving advances in areas such as quantum computer vision.

  • 3 authors
·
Oct 11, 2023

Quantum Variational Activation Functions Empower Kolmogorov-Arnold Networks

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.

  • 4 authors
·
Sep 17, 2025 2

Resisting Quantum Key Distribution Attacks Using Quantum Machine Learning

The emergence of quantum computing poses significant risks to the security of modern communication networks as it breaks today's public-key cryptographic algorithms. Quantum Key Distribution (QKD) offers a promising solution by harnessing the principles of quantum mechanics to establish secure keys. However, practical QKD implementations remain vulnerable to hardware imperfections and advanced attacks such as Photon Number Splitting and Trojan-Horse attacks. In this work, we investigate the potential of quantum machine learning (QML) to detect QKD attacks. In particular, we propose a Hybrid Quantum Long Short-Term Memory (QLSTM) model to improve detection performance. By combining quantum-enhanced learning with classical deep learning, the model captures temporal patterns in QKD data, improving detection accuracy. To evaluate the proposed model, we introduce a QKD dataset that simulates typical operations along with multiple attack scenarios, including Intercept-and-Resend, Photon-Number Splitting, Trojan-Horse, Detector Blinding, and Combined attacks. The dataset includes Quantum Bit Error Rate (QBER), signal and decoy loss rates, and time-based metrics. Our results demonstrate the promising performance of the quantum machine learning approach compared to classical models. The proposed Hybrid QLSTM achieved an accuracy of 94.7% after 50 training epochs. The evaluation is conducted on a semi-realistic, simulation-generated decoy-state BB84 dataset, and the reported performance should be interpreted as a proof-of-concept rather than a final assessment on field-deployed QKD systems.

  • 5 authors
·
Sep 16, 2025

Parameter-Efficient Quantum-Inspired Fast Weight Programmers for Traffic-Matrix Forecasting

Traffic matrices (TMs) capture network-wide origin-destination demand and are central to traffic engineering, yet accurate whole-matrix forecasting remains challenging when prediction must be performed under the memory, update, and training-budget constraints of online network control. This paper investigates whether compact quantum-inspired recurrent models can provide effective TM forecasts without relying on dedicated graph, transformer, or diffusion modules. We adapt gated quantum-inspired Kolmogorov-Arnold network fast-weight programmers (QKAN-FWPs) to direct multi-step Abilene TM forecasting, where each model predicts the next 20 five-minute frames of a 144-channel origin-destination (OD) matrix from a two-hour history. We benchmark three QKAN placement variants against a matched-size long short-term memory (LSTM) network, a larger LSTM, and a classical gated fast-weight programmer under a shared fixed-budget training protocol. Among the evaluated recurrent models, G-QKANFWP achieves the best pooled root-mean-square error (RMSE), while using only 22.4% of the larger LSTM. It also outperforms both the matched-size LSTM and the classical G-FWP baseline, indicating that the gain is not due to gated fast-weight framework alone. Convergence and channel-wise analyses further show that the quantum-inspired variants obtain lower validation-loss area under the learning curve (AULC) than matched-size recurrent baselines, while G-QKANFWP and GQKAN-FWP achieve substantially more OD-channel wins. These results identify a classical slow programmer with a quantum-inspired fast programmer as a promising accuracy-efficiency design for resource-conscious network traffic-matrix forecasting.

  • 6 authors
·
Jun 25 2

Evaluating the Performance of Some Local Optimizers for Variational Quantum Classifiers

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.

  • 3 authors
·
Feb 17, 2021

Quantum Doubly Stochastic Transformers

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.

  • 6 authors
·
Apr 22, 2025

Complementary Matrix-Gated QKAN Fast-Weight Programmers for Quantum Dynamics Forecasting

Sequence models must decide what to write into memory and what to retain. In quantum and quantum-inspired sequence learning, nonlinear recurrent updates often require repeated circuit evaluations and sequential backpropagation through time, making long contexts costly. Gated fast-weight programmers (FWPs) based on quantum-inspired Kolmogorov-Arnold networks (QKANs) alleviate this bottleneck by storing context in time-varying fast parameters. However, their scalar gate applies one retention-write balance to every fast-state coordinate, forcing all parameters to share a memory timescale. We introduce Self-Modulating QKAN-based FWPs, which replace this broadcast gate with low-rank-generated element-wise modulation of the new-proposal branch, a bounded old-state branch, or both. We further propose Complementary Matrix Gating (CMG), which uses one sigmoid matrix gate to retain the old state and its complement to write the new proposal. CMG provides coordinate-wise memory control while preserving the bounded convex update and affine prefix-scan structure of scalar gating, at the modulation-head cost of a single-branch rule. We compare four self-modulating rules with scalar gating across four FWP architectures combining classical and QKAN-based slow and fast programmers. Across seven single-step forecasting benchmarks and five sequence lengths, CMG gives the most consistent improvements for architectures whose fast programmer incorporates a QKAN-based module. In direct multi-step forecasting of Jaynes-Cummings and transmon-resonator dynamics simulated with CUDA-Q Dynamics, CMG models maintain mean-squared errors on the order of 0.001 or lower across forecasting horizons of 4, 8, and 16 steps, while improving on their scalar-gated counterparts by at least 91.2%. These results establish coordinate-wise complementary modulation as a stable and effective update for QKAN-based FWPs.

  • 17 authors
·
Jul 29 2

360-GS: Layout-guided Panoramic Gaussian Splatting For Indoor Roaming

3D Gaussian Splatting (3D-GS) has recently attracted great attention with real-time and photo-realistic renderings. This technique typically takes perspective images as input and optimizes a set of 3D elliptical Gaussians by splatting them onto the image planes, resulting in 2D Gaussians. However, applying 3D-GS to panoramic inputs presents challenges in effectively modeling the projection onto the spherical surface of {360^circ} images using 2D Gaussians. In practical applications, input panoramas are often sparse, leading to unreliable initialization of 3D Gaussians and subsequent degradation of 3D-GS quality. In addition, due to the under-constrained geometry of texture-less planes (e.g., walls and floors), 3D-GS struggles to model these flat regions with elliptical Gaussians, resulting in significant floaters in novel views. To address these issues, we propose 360-GS, a novel 360^{circ} Gaussian splatting for a limited set of panoramic inputs. Instead of splatting 3D Gaussians directly onto the spherical surface, 360-GS projects them onto the tangent plane of the unit sphere and then maps them to the spherical projections. This adaptation enables the representation of the projection using Gaussians. We guide the optimization of 360-GS by exploiting layout priors within panoramas, which are simple to obtain and contain strong structural information about the indoor scene. Our experimental results demonstrate that 360-GS allows panoramic rendering and outperforms state-of-the-art methods with fewer artifacts in novel view synthesis, thus providing immersive roaming in indoor scenarios.

  • 6 authors
·
Feb 1, 2024

Learning Video Dynamics with Predictive Differentiable Rendering

How to accurately predict a high-fidelity future world? While the visual world is inherently continuous, existing deterministic video prediction models operate in discrete pixel space and are mainly optimized with pixel-wise mean squared error (MSE), which often leads to over-smoothed predictions and a lack of fine-grained visual details. To address these limitations, we propose Predictive Differentiable Rendering (PDR), a novel end-to-end video prediction paradigm that bridges the gap between discrete and continuous representations. Inspired by recent progress in 3D reconstruction with 3D Gaussian Splatting, we introduce PredGS, a lightweight and plug-and-play adapter based on 2D Gaussian representation, which could be seamlessly integrated with existing pixel space predictors, significantly improving spatial detail preservation with negligible computational overhead. Furthermore, we develop predgsplat, a CUDA-accelerated differentiable 2D Gaussian renderer supporting arbitrary channels. Each Gaussian is defined by 5 + C learnable parameters (position, scale, rotation, and C channel amplitudes) and achieves up to 10x faster rendering than the baseline. Optimized by a combined L1 and SSIM loss, PDR overcomes the inherent blurring tendencies of MSE Loss, significantly enhancing the prediction performance. Extensive experiments on diverse real-world benchmarks, including TaxiBJ, WeatherBench, KTH, and Human3.6M, demonstrate that PDR consistently surpasses existing methods, delivering superior detail preservation, visual fidelity, and predictive accuracy.

  • 8 authors
·
Jun 29

StableVQ: Practical Guidelines for Stable Vector-Quantized Tokenizer Training

Vector Quantization (VQ) is fundamental to discrete visual tokenizers that power modern autoregressive and masked image generation models. While recent shared-projection codebook methods have substantially advanced codebook utilization, training stability remains a critical and underexplored challenge. We argue that the root cause lies in the entanglement of the Encoder--Decoder and Codebook training: because neither module can reliably fulfill its own responsibility in isolation, the system can only function when the two subsystems happen to cooperate---a fragile condition that breaks down precisely when training is most stressed. We propose StableVQ, which revisits the proper learning objective of each module and resolves the problems that arise when each is trained to fulfill its own role independently. Concretely, (1) Dynamic STE corrects the instability in the Encoder's learning objective, enabling it to robustly optimize the reconstruction space under discrete regularization even when codebook utilization is low. (2) Region VQ Loss reconceives the Codebook's learning objective so that it can independently guarantee full tracking of the encoder output distribution, without relying on encoder oscillations to drive activation. (3) Decoupled Schedule recognizes that the distinct responsibilities of the Encoder--Decoder and the Codebook demand distinct optimization dynamics, and assigns each an independent learning rate schedule to ensure robust system-level behavior. Built on top of shared-projection codebooks, StableVQ is lightweight and introduces no learnable parameters. Experiments on ImageNet demonstrate consistent improvements in training stability, codebook utilization, and reconstruction quality across diverse codebook sizes and initialization settings.

GPTQ-intrinsic LoRA: A Near-optimal Algorithm for Low-precision Quantization with Low-rank Adaptation

Post-training quantization is widely used for compressing large neural networks, but aggressive low-bit quantization can significantly degrade model quality. A common remedy is to augment the quantized weights with a low-rank correction, leading to approximations of the form Wapprox Q+LR. In this paper, we study this low-precision plus low-rank representation through the layer-wise reconstruction objective |XW-X(Q+LR)|_F^2, where X is a calibration matrix. We establish, to our knowledge, the first information-theoretic lower bounds for this problem under finite-alphabet and bounded low-rank compensation constraints. We then propose GPTQ-intrinsic LoRA, a training-free algorithm that incorporates the low-rank correction directly into a GPTQ-style quantization pass by appropriately augmenting the calibration Hessian. For the choice L=V_r, where V_r contains the top right singular vectors of X, we prove layer-wise reconstruction error bounds in which the usual GPTQ dependence on |X|_F^2 is replaced by the rank-r residual |X-X_r|_F^2, up to regularization terms. Under natural structural assumptions, these bounds match the information-theoretic lower bounds in their dominant scaling, up to constants and mild factors. We also introduce Bid-Up, a fixed-grid quantization refinement step that can be alternated with optimal low-rank compensation with guaranteed non-increasing layer-wise reconstruction error. Experiments on Qwen3 language models and DeiT vision transformers show that GPTQ-intrinsic LoRA improves over GPTQ and GPTQ followed by low-rank compensation, with additional gains from refinement loops.

  • 2 authors
·
May 30

Leech Lattice Vector Quantization for Efficient LLM Compression

Scalar quantization of large language models (LLMs) is fundamentally limited by information-theoretic bounds. While vector quantization (VQ) overcomes these limits by encoding blocks of parameters jointly, practical implementations must avoid the need for expensive lookup mechanisms or other explicit codebook storage. Lattice approaches address this through highly structured and dense packing. This paper explores the Leech lattice, which, with its optimal sphere packing and kissing configurations at 24 dimensions, is the highest dimensional lattice known with such optimal properties. To make the Leech lattice usable for LLM quantization, we extend an existing search algorithm based on the extended Golay code construction, to i) support indexing, enabling conversion to and from bitstrings without materializing the codebook, ii) allow angular search over union of Leech lattice shells, iii) propose fully-parallelisable dequantization kernel. Lastly, we provide a geometric reinterpretation of combining shape--gain quantization with GPTQ-style Hessian corrections: the standard scale-correction step of shape--gain acts as a retraction onto a product of spheres, yielding a Spherical GPTQ primarily acting on directions. We find that low-angular-distortion LLVQ reduces sensitivity to Hadamard/rotation preprocessing, and enables a strong Hadamard-free PTQ in practice. LLVQ delivers state-of-the-art LLM quantization performance, outperforming recent methods such as Quip\#, QTIP, and PVQ. The results highlight the effectiveness of high-dimensional lattices for scalable, theoretically grounded model compression.

  • 4 authors
·
Jul 6

KACQ-DCNN: Uncertainty-Aware Interpretable Kolmogorov-Arnold Classical-Quantum Dual-Channel Neural Network for Heart Disease Detection

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.

  • 5 authors
·
Oct 9, 2024

Weighted least-squares approximation with determinantal point processes and generalized volume sampling

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.

  • 2 authors
·
Dec 21, 2023

Limitations of Quantum Hardware for Molecular Energy Estimation Using VQE

Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we investigate the capabilities and limitations of VQE algorithms implemented on current quantum hardware for determining molecular ground-state energies, focusing on the adaptive derivative-assembled pseudo-Trotter ansatz VQE (ADAPT-VQE). To address the significant computational challenges posed by molecular Hamiltonians, we explore various strategies to simplify the Hamiltonian, optimize the ansatz, and improve classical parameter optimization through modifications of the COBYLA optimizer. These enhancements are integrated into a tailored quantum computing implementation designed to minimize the circuit depth and computational cost. Using benzene as a benchmark system, we demonstrate the application of these optimizations on an IBM quantum computer. Despite these improvements, our results highlight the limitations imposed by current quantum hardware, particularly the impact of quantum noise on state preparation and energy measurement. The noise levels in today's devices prevent meaningful evaluations of molecular Hamiltonians with sufficient accuracy to produce reliable quantum chemical insights. Finally, we extrapolate the requirements for future quantum hardware to enable practical and scalable quantum chemistry calculations using VQE algorithms. This work provides a roadmap for advancing quantum algorithms and hardware toward achieving quantum advantage in molecular modeling.

  • 3 authors
·
Jun 4, 2025