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Aug 4

Scalable Uncertainty Quantification for Extreme Weather Forecasting via Empirical Neural Tangent Kernels

Deep learning weather models now match numerical weather prediction accuracy while running orders of magnitude faster, but produce deterministic forecasts without uncertainty estimates, a critical gap for high-stakes decisions during extreme weather events. This paper proposes Neural Tangent Kernel-based uncertainty quantification (NTK-UQ) using last-layer empirical features. Theoretical analysis predicts that UQ quality is architecture-dependent through two mechanisms. First, a variance collapse mechanism explains when UQ fails: when the eigenvalue truncation rank approaches the effective rank of the feature space, the GP correction term consumes nearly all prior variance, destroying discrimination between tropical cyclones and routine conditions; architectures with concentrated spectra (spectral operators) require aggressive truncation (k leq 10), while attention-based models tolerate full-rank computation. Second, decomposition performance depends on the non-Gaussian, heavy-tailed structure of extreme weather: Independent Component Analysis exploits higher-order statistics (kurtosis, negentropy) to isolate heavy-tailed extreme-event features, achieving higher discrimination than singular value decomposition, which captures only second-order variance. A data-driven selection rule chooses ICA or SVD from the feature eigenspectrum concentration ratio, correctly prescribing the superior decomposition for all four evaluated architectures. Compared to split conformal prediction (the natural post-hoc baseline), NTK-UQ achieves 31--37\% sharper prediction intervals at 90\% coverage, and uniquely produces adaptive intervals that scale with extreme event severity, which conformal prediction cannot achieve by construction. The framework requires no retraining; inference-time uncertainty requires only a single matrix-vector product per sample.

  • 3 authors
·
May 31

Trained Rank Pruning for Efficient Deep Neural Networks

The performance of Deep Neural Networks (DNNs) keeps elevating in recent years with increasing network depth and width. To enable DNNs on edge devices like mobile phones, researchers proposed several network compression methods including pruning, quantization and factorization. Among the factorization-based approaches, low-rank approximation has been widely adopted because of its solid theoretical rationale and efficient implementations. Several previous works attempted to directly approximate a pre-trained model by low-rank decomposition; however, small approximation errors in parameters can ripple a large prediction loss. As a result, performance usually drops significantly and a sophisticated fine-tuning is required to recover accuracy. We argue that it is not optimal to separate low-rank approximation from training. Unlike previous works, this paper integrates low rank approximation and regularization into the training. We propose Trained Rank Pruning (TRP), which iterates low rank approximation and training. TRP maintains the capacity of original network while imposes low-rank constraints during training. A stochastic sub-gradient descent optimized nuclear regularization is utilized to further encourage low rank in TRP. The TRP trained network has low-rank structure in nature, and can be approximated with negligible performance loss, eliminating fine-tuning after low rank approximation. The methods are comprehensively evaluated on CIFAR-10 and ImageNet, outperforming previous compression methods using low rank approximation. Code is available: https://github.com/yuhuixu1993/Trained-Rank-Pruning

  • 9 authors
·
Dec 6, 2018

Low-Precision Rank Compensation for Matrices and Tensor Trains

Lower numerical precision reduces storage and memory traffic but raises the perturbation floor. We study rank compensation: reinvesting saved memory in a larger approximation rank. For matrices, the singular-value error identity yields a directly testable sufficient condition requiring the additional singular component to offset the perturbation from storing the rank-augmented approximation in lower precision. On ten SuiteSparse matrices, all 100 truncation-dominated configurations (50 FP32 and 50 FP16) are certified non-increases and strict accuracy wins, with mean error ratio 0.963 and storage ratios 58.8% and 29.4% relative to the FP64 baseline. FP16 failures occur only in tail-rank stress tests near the perturbation floor. At the largest resident matrix-application batch, compensated FP32 and FP16 achieve geometric-mean A100 speedups of 1.28times and 2.12times; neither accelerates the smallest batch. For Tensor-Train (TT) approximation, we give a conditional a posteriori extension based on the measured truncation gain and rounded-core perturbation. Across three-way and six-way synthetic tests, FP32 and FP16 achieve combined accuracy-memory wins in 10 of 20 and 14 of 20 trials. On public hyperspectral tensors and FROSTT top-active subtensors, the corresponding counts are 44 of 60 and 54 of 60; four FP16 Salinas-A tail-stress cases fail. No certified TT case exceeds the FP64 error beyond numerical tolerance. Reconstruction of six public tensors yields geometric-mean compensated speedups of 1.38times (FP32) and 1.94times (FP16). Timings cover resident downstream kernels, not factorization, transfers, or end-to-end acceleration.

  • 2 authors
·
Jul 13

Concatenated Matrix SVD: Compression Bounds, Incremental Approximation, and Error-Constrained Clustering

Large collections of matrices arise throughout modern machine learning, signal processing, and scientific computing, where they are commonly compressed by concatenation followed by truncated singular value decomposition (SVD). This strategy enables parameter sharing and efficient reconstruction and has been widely adopted across domains ranging from multi-view learning and signal processing to neural network compression. However, it leaves a fundamental question unanswered: which matrices can be safely concatenated and compressed together under explicit reconstruction error constraints? Existing approaches rely on heuristic or architecture-specific grouping and provide no principled guarantees on the resulting SVD approximation error. In the present work, we introduce a theory-driven framework for compression-aware clustering of matrices under SVD compression constraints. Our analysis establishes new spectral bounds for horizontally concatenated matrices, deriving global upper bounds on the optimal rank-r SVD reconstruction error from lower bounds on singular value growth. The first bound follows from Weyl-type monotonicity under blockwise extensions, while the second leverages singular values of incremental residuals to yield tighter, per-block guarantees. We further develop an efficient approximate estimator based on incremental truncated SVD that tracks dominant singular values without forming the full concatenated matrix. Therefore, we propose three clustering algorithms that merge matrices only when their predicted joint SVD compression error remains below a user-specified threshold. The algorithms span a trade-off between speed, provable accuracy, and scalability, enabling compression-aware clustering with explicit error control. Code is available online.

  • 1 authors
·
Jan 12

The Malignant Tail: Spectral Segregation of Label Noise in Over-Parameterized Networks

While implicit regularization facilitates benign overfitting in low-noise regimes, recent theoretical work predicts a sharp phase transition to harmful overfitting as the noise-to-signal ratio increases. We experimentally isolate the geometric mechanism of this transition: the Malignant Tail, a failure mode where networks functionally segregate signal and noise, reducing coherent semantic features into low-rank subspaces while pushing stochastic label noise into high-frequency orthogonal components, distinct from systematic or corruption-aligned noise. Through a Spectral Linear Probe of training dynamics, we demonstrate that Stochastic Gradient Descent (SGD) fails to suppress this noise, instead implicitly biasing it toward high-frequency orthogonal subspaces, effectively preserving signal-noise separability. We show that this geometric separation is distinct from simple variance reduction in untrained models. In trained networks, SGD actively segregates noise, allowing post-hoc Explicit Spectral Truncation (d << D) to surgically prune the noise-dominated subspace. This approach recovers the optimal generalization capability latent in the converged model. Unlike unstable temporal early stopping, Geometric Truncation provides a stable post-hoc intervention. Our findings suggest that under label noise, excess spectral capacity is not harmless redundancy but a latent structural liability that allows for noise memorization, necessitating explicit rank constraints to filter stochastic corruptions for robust generalization.

  • 1 authors
·
Mar 2

A Numerical Realization of Suzuki's Weil-Quadratic-Form Operator: The Archimedean Spectral Law, its Universality, and an Operator Form of Weil's Positivity Criterion

This paper presents the first numerical realization of Suzuki's Weil-Quadratic-Form operator, a candidate for the Hilbert--Pólya program linking spectral positivity to the Riemann Hypothesis (RH). Suzuki's 2026 construction was purely theoretical; here, the operator is instantiated via P1 finite-element discretization and Richardson extrapolation. Key results include: (R1) In the prime-free regime, the spectrum follows a closed Archimedean law A_k(a) = log(1/a) + log(k-2) + B_0 + O(a), with B_0 = log q - 2log 2, confirmed to 30-digit precision. (R2) A Mellin double-pole argument proves the head coefficient B(ν) and shows B_0 depends only on the conductor q, independent of the Archimedean parameter. (R2b) The degree d of an L-function appears directly as the logarithmic slope of the spectrum. (R3) Total spectral intensity follows the prime number theorem, S(a) sim (2a)^3/6. (R4) Nontrivial zeros are not eigenvalues but occur in the explicit-formula error term of the prime symbol. (R5) The best-match line σ^*(a) descends toward the critical line. (R6) Weil's positivity criterion is realized in operator form: bounded residual growth corresponds to all zeros on the line, while an injected off-line zero causes exponential blow-up. (R7) The lowest eigenvalue λ_1(a) is strictly positive, decays superexponentially, and passes smoothly through the first prime threshold. (R8) The characteristic function W(a,0;z) is computed for the first time, with all zeros confirmed real. (R9) Indirect traces of GUE statistics appear in the moment structure, even where direct detection is blocked. The authors emphasize that this work does not prove RH. All results are Archimedean and universal, with significance lying in the faithful numerical realization of classical identities rather than new arithmetic.

  • 7 authors
·
Jul 22

LORD: Low Rank Decomposition Of Monolingual Code LLMs For One-Shot Compression

Low Rank Decomposition of matrix - splitting a large matrix into a product of two smaller matrix offers a means for compression that reduces the parameters of a model without sparsification, and hence delivering more speedup on modern hardware. Moreover, unlike quantization, the compressed linear layers remain fully differentiable and all the parameters trainable, while being able to leverage the existing highly efficient kernels over floating point matrices. We study the potential to compress Large Language Models (LLMs) for monolingual Code generation via Low Rank Decomposition (LoRD) and observe that ranks for the linear layers in these models can be reduced by upto 39.58% with less than 1% increase in perplexity. We then use Low Rank Decomposition (LoRD) to compress StarCoder 16B to 13.2B parameter with no drop and to 12.3B with minimal drop in HumanEval Pass@1 score, in less than 10 minutes on a single A100. The compressed models speeds up inference by up to 22.35% with just a single line of change in code over huggingface's implementation with pytorch backend. Low Rank Decomposition (LoRD) models remain compatible with state of the art near-lossless quantization method such as SpQR, which allows leveraging further compression gains of quantization. Lastly, QLoRA over Low Rank Decomposition (LoRD) model further reduces memory requirements by as much as 21.2% over vanilla QLoRA while offering similar gains from parameter efficient fine tuning. Our work shows Low Rank Decomposition (LoRD) as a promising new paradigm for LLM compression.

  • 3 authors
·
Sep 25, 2023

EFT Validity and Truncation Uncertainty from few Nuisance Parameters

An observable in an Effective Field Theory (EFT) is an expansion in a set of small parameters, no different than any other perturbation series. Truncating such a series expansion leaves the leading dropped term as the dominant source of error, and that term itself contains a calculable portion. We explore the partial calculation of this next-order error, available at dim-6^2 in SMEFT with no additional tools needed to simulate it, and explore how to efficiently use that partial calculation to model the next-order uncertainty in full using a minimal number of nuisance parameters. This estimate of the uncertainty of the EFT signal rate naturally imposes EFT validity by ensuring that bounds are driven by kinematic regions where truncation uncertainties are parametrically smaller than the signal. We incorporate the calculable dim-6^2 piece into the signal and cover the remaining higher-dimension uncertainty with a small set of nuisance parameters derived from a scan over Wilson-coefficient values. Our algorithm to determine the relevant nuisance parameters and distributions is automation-friendly and applies to arbitrary truncation choices. We then provide multiple examples of its implementation in high-energy collider processes focused on SMEFT truncated at O(Λ^{-2}), where the dim-6^2 piece is used to estimate the full mathcal O(Λ^{-4}) dependence. In the examples considered here the reduction of nuisance parameters is appreciable, generically reducing the nuisance parameter count by an order of magnitude compared to naïve estimates.

  • 3 authors
·
Jul 1

From GaLore to WeLore: How Low-Rank Weights Non-uniformly Emerge from Low-Rank Gradients

Modern Large Language Models (LLMs) are composed of matrices with billions of elements, making their storage and processing quite demanding in terms of computational resources and memory usage. Being significantly large, such matrices can often be expressed in low-rank format with potential to relax resource requirements. Unlike prior works which focus on developing novel matrix decomposition algorithms, in this work we first study the emergence of low-rank structures across matrices within different layers of LLMs and establish a consequential relationship between the gradient dynamics and emerging low-rank expressiveness of matrices. Our findings reveal that different layers exhibit varying levels of converged low-rank structure, necessitating a non-uniform rank reduction across them to minimize performance drop due to compression. In view of that, we present Weight Low-Rank Projection (WeLore) that unifies weight compression and memory-efficient fine-tuning as ONE, in a data-agnostic and one-shot way. WeLore capitalizes the heavy-tail distribution of singular values to identify a suitable rank reduction ratio for matrices within LLMs. Going beyond only as a compression technique, WeLore categorizes weight matrices into Low-rank Components (LRCs) and Non-Low-rank Components (N-LRCs) based on their ability to express themselves as low-rank. Our gradient perspective and extensive experiments illustrate that LRCs tend to have better finetuning capabilities and can closely mimic (sometimes outperform) the training loss trajectory and performance of full-finetuning with notable memory and compute footprint reduction. For example, finetuning a 50\% compressed LLaMa-2 7B model using only a fraction of parameters in LRCs (WeLore) can outperform its full finetuning with ~3x better throughput and ~0.6x GPU requirement. Our codes are available at https://github.com/VITA-Group/welore

  • 7 authors
·
Jul 15, 2024 2

Row-Stochastic Matrices Can Provably Outperform Doubly Stochastic Matrices in Decentralized Learning

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

  • 5 authors
·
May 28

Amplitude Encoding of Slater-Type Orbitals via Matrix Product States: Efficient State Preparation and Integral Evaluation on Quantum Hardware

Slater-type orbitals (STOs) provide the physically correct description of atomic wavefunctions but have been largely replaced by Gaussian-type orbitals in computational chemistry due to the lack of closed-form multi-center integrals. We present a systematic study of amplitude encoding of STOs on quantum computers using matrix product states (MPS). For one-dimensional orbital functions of the form p_d(x) e^{-ζx}, we derive analytical MPS constructions with constant bond dimension χ= d + 1, requiring O(n) classical and quantum resources for n-qubit registers with no grid sampling. We demonstrate a complete one-electron integral pipeline -- overlap, kinetic energy, and nuclear attraction -- in one dimension, validating the overlap and kinetic energy on IBM Heron processors at 5~qubits with 0.67\% hardware-induced error using Zero-Noise Extrapolation. In three dimensions, we compute multi-center overlap integrals between 1s and 2s orbitals in Cartesian coordinates with 0.02\% discretization error at 18~qubits. A systematic entanglement analysis reveals that the MPS bond dimension of three-dimensional STOs in Cartesian coordinates saturates with increasing grid resolution -- reaching sim138 for the hydrogen 1s orbital at 12~qubits per coordinate -- establishing bounded encoding complexity rather than the exponential scaling initially expected. The SVD truncation threshold provides a practical resource parameter, reducing the bond dimension to 39 at threshold 10^{-6} with negligible accuracy loss. These results map the entanglement landscape for amplitude encoding of atomic orbitals and establish MPS-based state preparation as a viable path toward exact STO basis sets on quantum computers.

  • 1 authors
·
Apr 28

Approximating the Top Eigenvector in Random Order Streams

When rows of an n times d matrix A are given in a stream, we study algorithms for approximating the top eigenvector of the matrix {A}^TA (equivalently, the top right singular vector of A). We consider worst case inputs A but assume that the rows are presented to the streaming algorithm in a uniformly random order. We show that when the gap parameter R = σ_1(A)^2/σ_2(A)^2 = Ω(1), then there is a randomized algorithm that uses O(h cdot d cdot polylog(d)) bits of space and outputs a unit vector v that has a correlation 1 - O(1/R) with the top eigenvector v_1. Here h denotes the number of heavy rows in the matrix, defined as the rows with Euclidean norm at least |{A}|_F/d cdot operatorname{polylog(d)}. We also provide a lower bound showing that any algorithm using O(hd/R) bits of space can obtain at most 1 - Ω(1/R^2) correlation with the top eigenvector. Thus, parameterizing the space complexity in terms of the number of heavy rows is necessary for high accuracy solutions. Our results improve upon the R = Ω(log n cdot log d) requirement in a recent work of Price and Xun (FOCS 2024). We note that the algorithm of Price and Xun works for arbitrary order streams whereas our algorithm requires a stronger assumption that the rows are presented in a uniformly random order. We additionally show that the gap requirements in their analysis can be brought down to R = Ω(log^2 d) for arbitrary order streams and R = Ω(log d) for random order streams. The requirement of R = Ω(log d) for random order streams is nearly tight for their analysis as we obtain a simple instance with R = Ω(log d/loglog d) for which their algorithm, with any fixed learning rate, cannot output a vector approximating the top eigenvector v_1.

  • 2 authors
·
Dec 16, 2024

EoRA: Training-free Compensation for Compressed LLM with Eigenspace Low-Rank Approximation

In this work, we re-formulate the model compression problem into the customized compensation problem: Given a compressed model, we aim to introduce residual low-rank paths to compensate for compression errors under customized requirements from users (e.g., tasks, compression ratios), resulting in greater flexibility in adjusting overall capacity without being constrained by specific compression formats. However, naively applying SVD to derive residual paths causes suboptimal utilization of the low-rank representation capacity. Instead, we propose Training-free Eigenspace Low-Rank Approximation (EoRA), a method that directly minimizes compression-induced errors without requiring gradient-based training, achieving fast optimization in minutes using a small amount of calibration data. EoRA projects compression errors into the eigenspace of input activations, leveraging eigenvalues to effectively prioritize the reconstruction of high-importance error components. Moreover, EoRA can be seamlessly integrated with fine-tuning and quantization to further improve effectiveness and efficiency. EoRA consistently outperforms previous methods in compensating errors for compressed LLaMA2/3 models on various tasks, such as language generation, commonsense reasoning, and math reasoning tasks (e.g., 31.31%/12.88% and 9.69% improvements on ARC-Easy/ARC-Challenge and MathQA when compensating LLaMA3-8B that is quantized to 4-bit and pruned to 2:4 sparsity). EoRA offers a scalable, training-free solution to compensate for compression errors, making it a powerful tool to deploy LLMs in various capacity and efficiency requirements.

nvidia NVIDIA
·
Oct 28, 2024 2

Eigenspectrum Analysis of Neural Networks without Aspect Ratio Bias

Diagnosing deep neural networks (DNNs) through the eigenspectrum of weight matrices has been an active area of research in recent years. At a high level, eigenspectrum analysis of DNNs involves measuring the heavytailness of the empirical spectral densities (ESD) of weight matrices. It provides insight into how well a model is trained and can guide decisions on assigning better layer-wise training hyperparameters. In this paper, we address a challenge associated with such eigenspectrum methods: the impact of the aspect ratio of weight matrices on estimated heavytailness metrics. We demonstrate that matrices of varying sizes (and aspect ratios) introduce a non-negligible bias in estimating heavytailness metrics, leading to inaccurate model diagnosis and layer-wise hyperparameter assignment. To overcome this challenge, we propose FARMS (Fixed-Aspect-Ratio Matrix Subsampling), a method that normalizes the weight matrices by subsampling submatrices with a fixed aspect ratio. Instead of measuring the heavytailness of the original ESD, we measure the average ESD of these subsampled submatrices. We show that measuring the heavytailness of these submatrices with the fixed aspect ratio can effectively mitigate the aspect ratio bias. We validate our approach across various optimization techniques and application domains that involve eigenspectrum analysis of weights, including image classification in computer vision (CV) models, scientific machine learning (SciML) model training, and large language model (LLM) pruning. Our results show that despite its simplicity, FARMS uniformly improves the accuracy of eigenspectrum analysis while enabling more effective layer-wise hyperparameter assignment in these application domains. In one of the LLM pruning experiments, FARMS reduces the perplexity of the LLaMA-7B model by 17.3% when compared with the state-of-the-art method.

  • 4 authors
·
Jun 6, 2025

Sparse Spectral Training and Inference on Euclidean and Hyperbolic Neural Networks

The growing computational demands posed by increasingly number of neural network's parameters necessitate low-memory-consumption training approaches. Previous memory reduction techniques, such as Low-Rank Adaptation (LoRA) and ReLoRA, suffer from the limitation of low rank and saddle point issues, particularly during intensive tasks like pre-training. In this paper, we propose Sparse Spectral Training (SST), an advanced training methodology that updates all singular values and selectively updates singular vectors of network weights, thereby optimizing resource usage while closely approximating full-rank training. SST refines the training process by employing a targeted updating strategy for singular vectors, which is determined by a multinomial sampling method weighted by the significance of the singular values, ensuring both high performance and memory reduction. Through comprehensive testing on both Euclidean and hyperbolic neural networks across various tasks, including natural language generation, machine translation, node classification and link prediction, SST demonstrates its capability to outperform existing memory reduction training methods and is comparable with full-rank training in some cases. On OPT-125M, with rank equating to 8.3% of embedding dimension, SST reduces the perplexity gap to full-rank training by 67.6%, demonstrating a significant reduction of the performance loss with prevalent low-rank methods. This approach offers a strong alternative to traditional training techniques, paving the way for more efficient and scalable neural network training solutions.

  • 5 authors
·
May 24, 2024