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This note extends the results of classical parametric statistics like Fisher and Wilks theorem to modern setups with a high or infinite parameter dimension, limited sample size, and possible model misspecification. We consider a special class of stochastically linear smooth (SLS) models satisfying three major conditions: the stochastic component of the log-likelihood is linear in the model parameter and the expected log-likelihood is a smooth and concave function. For the penalized maximum likelihood estimators (pMLE), we establish three types of results: (1) concentration in a small vicinity of the ``truth''; (2) Fisher and Wilks expansions; (3) risk bounds. In all results, the remainder is given explicitly and can be evaluated in terms of the effective sample size and effective parameter dimension which allows us to identify the so-called \emph{critical parameter dimension}. The results are also dimension and coordinate-free. The obtained finite sample expansions are of special interest because they can be used not only for obtaining the risk bounds but also for inference, studying the asymptotic distribution, analysis of resampling procedures, etc. The main tool for all these expansions is the so-called ``basic lemma'' about linearly perturbed optimization. Despite their generality, all the presented bounds are nearly sharp and the classical asymptotic results can be obtained as simple corollaries. Our results indicate that the use of advanced fourth-order expansions allows to relax the critical dimension condition $ \mathbb{p}^{3} \ll n $ from Spokoiny (2023a) to $ \mathbb{p}^{3/2} \ll n $. Examples for classical models like logistic regression, log-density and precision matrix estimation illustrate the applicability of general results.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · · 圖形處理器 · Neural Networks · Networking ·
2024 年 10 月 2 日

Uniform expressivity guarantees that a Graph Neural Network (GNN) can express a query without the parameters depending on the size of the input graphs. This property is desirable in applications in order to have number of trainable parameters that is independent of the size of the input graphs. Uniform expressivity of the two variable guarded fragment (GC2) of first order logic is a well-celebrated result for Rectified Linear Unit (ReLU) GNNs [Barcelo & al., 2020]. In this article, we prove that uniform expressivity of GC2 queries is not possible for GNNs with a wide class of Pfaffian activation functions (including the sigmoid and tanh), answering a question formulated by [Grohe, 2021]. We also show that despite these limitations, many of those GNNs can still efficiently express GC2 queries in a way that the number of parameters remains logarithmic on the maximal degree of the input graphs. Furthermore, we demonstrate that a log-log dependency on the degree is achievable for a certain choice of activation function. This shows that uniform expressivity can be successfully relaxed by covering large graphs appearing in practical applications. Our experiments illustrates that our theoretical estimates hold in practice.

Despite that the segment anything model (SAM) achieved impressive results on general-purpose semantic segmentation with strong generalization ability on daily images, its demonstrated performance on medical image segmentation is less precise and not stable, especially when dealing with tumor segmentation tasks that involve objects of small sizes, irregular shapes, and low contrast. Notably, the original SAM architecture is designed for 2D natural images, therefore would not be able to extract the 3D spatial information from volumetric medical data effectively. In this paper, we propose a novel adaptation method for transferring SAM from 2D to 3D for promptable medical image segmentation. Through a holistically designed scheme for architecture modification, we transfer the SAM to support volumetric inputs while retaining the majority of its pre-trained parameters for reuse. The fine-tuning process is conducted in a parameter-efficient manner, wherein most of the pre-trained parameters remain frozen, and only a few lightweight spatial adapters are introduced and tuned. Regardless of the domain gap between natural and medical data and the disparity in the spatial arrangement between 2D and 3D, the transformer trained on natural images can effectively capture the spatial patterns present in volumetric medical images with only lightweight adaptations. We conduct experiments on four open-source tumor segmentation datasets, and with a single click prompt, our model can outperform domain state-of-the-art medical image segmentation models on 3 out of 4 tasks, specifically by 8.25%, 29.87%, and 10.11% for kidney tumor, pancreas tumor, colon cancer segmentation, and achieve similar performance for liver tumor segmentation. We also compare our adaptation method with existing popular adapters, and observed significant performance improvement on most datasets.

Classical generative diffusion models learn an isotropic Gaussian denoising process, treating all spatial regions uniformly, thus neglecting potentially valuable structural information in the data. Inspired by the long-established work on anisotropic diffusion in image processing, we present a novel edge-preserving diffusion model that is a generalization of denoising diffusion probablistic models (DDPM). In particular, we introduce an edge-aware noise scheduler that varies between edge-preserving and isotropic Gaussian noise. We show that our model's generative process converges faster to results that more closely match the target distribution. We demonstrate its capability to better learn the low-to-mid frequencies within the dataset, which plays a crucial role in representing shapes and structural information. Our edge-preserving diffusion process consistently outperforms state-of-the-art baselines in unconditional image generation. It is also more robust for generative tasks guided by a shape-based prior, such as stroke-to-image generation. We present qualitative and quantitative results showing consistent improvements (FID score) of up to 30% for both tasks.

This work presents GALAEXI as a novel, energy-efficient flow solver for the simulation of compressible flows on unstructured meshes leveraging the parallel computing power of modern Graphics Processing Units (GPUs). GALAEXI implements the high-order Discontinuous Galerkin Spectral Element Method (DGSEM) using shock capturing with a finite-volume subcell approach to ensure the stability of the high-order scheme near shocks. This work provides details on the general code design, the parallelization strategy, and the implementation approach for the compute kernels with a focus on the element local mappings between volume and surface data due to the unstructured mesh. GALAEXI exhibits excellent strong scaling properties up to 1024 GPUs if each GPU is assigned a minimum of one million degrees of freedom degrees of freedom. To verify its implementation, a convergence study is performed that recovers the theoretical order of convergence of the implemented numerical schemes. Moreover, the solver is validated using both the incompressible and compressible formulation of the Taylor-Green-Vortex at a Mach number of 0.1 and 1.25, respectively. A mesh convergence study shows that the results converge to the high-fidelity reference solution and that the results match the original CPU implementation. Finally, GALAEXI is applied to a large-scale wall-resolved large eddy simulation of a linear cascade of the NASA Rotor 37. Here, the supersonic region and shocks at the leading edge are captured accurately and robustly by the implemented shock-capturing approach. It is demonstrated that GALAEXI requires less than half of the energy to carry out this simulation in comparison to the reference CPU implementation. This renders GALAEXI as a potent tool for accurate and efficient simulations of compressible flows in the realm of exascale computing and the associated new HPC architectures.

Symmetry is ubiquitous in many real-world phenomena and tasks, such as physics, images, and molecular simulations. Empirical studies have demonstrated that incorporating symmetries into generative models can provide better generalization and sampling efficiency when the underlying data distribution has group symmetry. In this work, we provide the first theoretical analysis and guarantees of score-based generative models (SGMs) for learning distributions that are invariant with respect to some group symmetry and offer the first quantitative comparison between data augmentation and adding equivariant inductive bias. First, building on recent works on the Wasserstein-1 ($\mathbf{d}_1$) guarantees of SGMs and empirical estimations of probability divergences under group symmetry, we provide an improved $\mathbf{d}_1$ generalization bound when the data distribution is group-invariant. Second, we describe the inductive bias of equivariant SGMs using Hamilton-Jacobi-Bellman theory, and rigorously demonstrate that one can learn the score of a symmetrized distribution using equivariant vector fields without data augmentations through the analysis of the optimality and equivalence of score-matching objectives. This also provides practical guidance that one does not have to augment the dataset as long as the vector field or the neural network parametrization is equivariant. Moreover, we quantify the impact of not incorporating equivariant structure into the score parametrization, by showing that non-equivariant vector fields can yield worse generalization bounds. This can be viewed as a type of model-form error that describes the missing structure of non-equivariant vector fields. Numerical simulations corroborate our analysis and highlight that data augmentations cannot replace the role of equivariant vector fields.

The recent cohort of publicly available generative models can produce human expert level content across a variety of topics and domains. Given a model in this cohort as a base model, methods such as parameter efficient fine-tuning, in-context learning, and constrained decoding have further increased generative capabilities and improved both computational and data efficiency. Entire collections of derivative models have emerged as a byproduct of these methods and each of these models has a set of associated covariates such as a score on a benchmark, an indicator for if the model has (or had) access to sensitive information, etc. that may or may not be available to the user. For some model-level covariates, it is possible to use "similar" models to predict an unknown covariate. In this paper we extend recent results related to embedding-based representations of generative models -- the data kernel perspective space -- to classical statistical inference settings. We demonstrate that using the perspective space as the basis of a notion of "similar" is effective for multiple model-level inference tasks.

A strong edge-coloring of a graph is a proper edge-coloring, in which the edges of every path of length 3 receive distinct colors; in other words, every pair of edges at distance at most 2 must be colored differently. The least number of colors needed for a strong edge-coloring of a graph is the strong chromatic index. We consider the list version of the coloring and prove that the list strong chromatic index of graphs with maximum degree 3 is at most 10. This bound is tight and improves the previous bound of 11 colors. We also consider the question whether the strong chromatic index and the list strong chromatic index always coincide. We answer it in negative by presenting an infinite family of graphs for which the two invariants differ. For the special case of the Petersen graph, we show that its list strong chromatic index equals 7, while its strong chromatic index is 5. Up to our best knowledge, this is the first known edge-coloring for which there are graphs with distinct values of the chromatic index and its list version. In relation to the above, we also initiate the study of the list version of the normal edge-coloring. A normal edge-coloring of a cubic graph is a proper edge-coloring, in which every edge is adjacent to edges colored with 4 colors or to edges colored with 2 colors. It is conjectured that 5 colors suffice for a normal edge-coloring of any bridgeless cubic graph which is equivalent to the Petersen Coloring Conjecture. Similarly to the strong edge-coloring, the list normal edge-coloring is much more restrictive and consequently for many graphs the list normal chromatic index is greater than the normal chromatic index. In particular, we show that there are cubic graphs with the list normal chromatic index at least 9, there are bridgeless cubic graphs with its value at least 8, and there are cyclically 4-edge-connected cubic graphs with value at least 7.

Availability of large and diverse medical datasets is often challenged by privacy and data sharing restrictions. For successful application of machine learning techniques for disease diagnosis, prognosis, and precision medicine, large amounts of data are necessary for model building and optimization. To help overcome such limitations in the context of brain MRI, we present GenMIND: a collection of generative models of normative regional volumetric features derived from structural brain imaging. GenMIND models are trained on real brain imaging regional volumetric measures from the iSTAGING consortium, which encompasses over 40,000 MRI scans across 13 studies, incorporating covariates such as age, sex, and race. Leveraging GenMIND, we produce and offer 18,000 synthetic samples spanning the adult lifespan (ages 22-90 years), alongside the model's capability to generate unlimited data. Experimental results indicate that samples generated from GenMIND agree with the distributions obtained from real data. Most importantly, the generated normative data significantly enhance the accuracy of downstream machine learning models on tasks such as disease classification. Data and models are available at: //huggingface.co/spaces/rongguangw/GenMIND.

The datasets of most image quality assessment studies contain ratings on a categorical scale with five levels, from bad (1) to excellent (5). For each stimulus, the number of ratings from 1 to 5 is summarized and given in the form of the mean opinion score. In this study, we investigate families of multinomial probability distributions parameterized by mean and variance that are used to fit the empirical rating distributions. To this end, we consider quantized metric models based on continuous distributions that model perceived stimulus quality on a latent scale. The probabilities for the rating categories are determined by quantizing the corresponding random variables using threshold values. Furthermore, we introduce a novel discrete maximum entropy distribution for a given mean and variance. We compare the performance of these models and the state of the art given by the generalized score distribution for two large data sets, KonIQ-10k and VQEG HDTV. Given an input distribution of ratings, our fitted two-parameter models predict unseen ratings better than the empirical distribution. In contrast to empirical ACR distributions and their discrete models, our continuous models can provide fine-grained estimates of quantiles of quality of experience that are relevant to service providers to satisfy a target fraction of the user population.

In this paper, a high-order/low-order (HOLO) method is combined with a micro-macro (MM) decomposition to accelerate iterative solvers in fully implicit time-stepping of the BGK equation for gas dynamics. The MM formulation represents a kinetic distribution as the sum of a local Maxwellian and a perturbation. In highly collisional regimes, the perturbation away from initial and boundary layers is small and can be compressed to reduce the overall storage cost of the distribution. The convergence behavior of the MM methods, the usual HOLO method, and the standard source iteration method is analyzed on a linear BGK model. Both the HOLO and MM methods are implemented using a discontinuous Galerkin (DG) discretization in phase space, which naturally preserves the consistency between high- and low-order models required by the HOLO approach. The accuracy and performance of these methods are compared on the Sod shock tube problem and a sudden wall heating boundary layer problem. Overall, the results demonstrate the robustness of the MM and HOLO approaches and illustrate the compression benefits enabled by the MM formulation when the kinetic distribution is near equilibrium.

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