We introduce a novel index, the Distribution of Cosine Similarity (DOCS), for quantitatively assessing the similarity between weight matrices in Large Language Models (LLMs), aiming to facilitate the analysis of their complex architectures. Leveraging DOCS, our analysis uncovers intriguing patterns in the latest open-source LLMs: adjacent layers frequently exhibit high weight similarity and tend to form clusters, suggesting depth-wise functional specialization. Additionally, we prove that DOCS is theoretically effective in quantifying similarity for orthogonal matrices, a crucial aspect given the prevalence of orthogonal initializations in LLMs. This research contributes to a deeper understanding of LLM architecture and behavior, offering tools with potential implications for developing more efficient and interpretable models.

Quadratic programming (QP) is the most widely applied category of problems in nonlinear programming. Many applications require real-time/fast solutions, though not necessarily with high precision. Existing methods either involve matrix decomposition or use the preconditioned conjugate gradient method. For relatively large instances, these methods cannot achieve the real-time requirement unless there is an effective preconditioner. Recently, graph neural networks (GNNs) opened new possibilities for QP. Some promising empirical studies of applying GNNs for QP tasks show that GNNs can capture key characteristics of an optimization instance and provide adaptive guidance accordingly to crucial configurations during the solving process, or directly provide an approximate solution. However, the theoretical understanding of GNNs in this context remains limited. Specifically, it is unclear what GNNs can and cannot achieve for QP tasks in theory. This work addresses this gap in the context of linearly constrained QP tasks. In the continuous setting, we prove that message-passing GNNs can universally represent fundamental properties of quadratic programs, including feasibility, optimal objective values, and optimal solutions. In the more challenging mixed-integer setting, while GNNs are not universal approximators, we identify a subclass of QP problems that GNNs can reliably represent.

In this work, we propose a novel optimization model termed “sum-of-minimum" optimization. This model seeks to minimize the sum or average of $N$ objective functions over $k$ parameters, where each objective takes the minimum value of a predefined sub-function with respect to the $k$ parameters. This universal framework encompasses numerous clustering applications in machine learning and related fields. We develop efficient algorithms for solving sum-of-minimum optimization problems, inspired by a randomized initialization algorithm for the classic $k$-means (Arthur & Vassilvitskii, 2007) and Lloyd’s algorithm (Lloyd, 1982). We establish a new tight bound for the generalized initialization algorithm and prove a gradient-descent-like convergence rate for generalized Lloyd’s algorithm. The efficiency of our algorithms is numerically examined on multiple tasks, including generalized principal component analysis, mixed linear regression, and small-scale neural network training. Our approach compares favorably to previous ones based on simpler-but-less-precise optimization reformulations.

Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching (SB), the most effective yet computationally expensive heuristic employed in the branch-and-bound algorithm. In the literature, message-passing GNN (MP-GNN), as the simplest GNN structure, is frequently used as a fast approximation of SB and we find that not all MILPs's SB can be represented with MP-GNN. We precisely define a class of "MP-tractable" MILPs for which MP-GNNs can accurately approximate SB scores. Particularly, we establish a universal approximation theorem: for any data distribution over the MP-tractable class, there always exists an MP-GNN that can approximate the SB score with arbitrarily high accuracy and arbitrarily high probability, which lays a theoretical foundation of the existing works on imitating SB with MP-GNN. For MILPs without the MP-tractability, unfortunately, a similar result is impossible, which can be illustrated by two MILP instances with different SB scores that cannot be distinguished by any MP-GNN, regardless of the number of parameters. Recognizing this, we explore another GNN structure called the second-order folklore GNN (2-FGNN) that overcomes this limitation, and the aforementioned universal approximation theorem can be extended to the entire MILP space using 2-FGNN, regardless of the MP-tractability. A small-scale numerical experiment is conducted to directly validate our theoretical findings.

One implicit assumption in current stochastic gradient descent (SGD) algorithms is the identical cost for sampling each component function of the finite-sum objective. However, there are applications where the costs differ substantially, for which SGD schemes with uniform sampling invoke a high sampling load. We investigate the use of importance sampling (IS) as a cost saver in this setting, in contrast to its traditional use for variance reduction. The key ingredient is a novel efficiency metric for IS that advocates low sampling costs while penalizing high gradient variances. We then propose HeteRSGD, an SGD scheme that performs gradient sampling according to optimal probability weights stipulated by the metric, and establish theories on its optimal asymptotic and finite-time convergence rates among all possible IS-based SGD schemes. We show that the relative efficiency gain of HeteRSGD can be arbitrarily large regardless of the problem dimension and number of components. Our theoretical results are validated numerically for both convex and nonconvex problems.

Recently, the online matching problem has attracted much attention due to its wide application on real-world decision-making scenarios. In stationary environments, by adopting the stochastic user arrival model, existing methods are proposed to learn dual optimal prices and are shown to achieve a fast regret bound. However, the stochastic model is no longer a proper assumption when the environment is changing, leading to an optimistic method that may suffer poor performance. In this paper, we study the online matching problem in dynamic environments in which the dual optimal prices are allowed to vary over time. We bound the dynamic regret of online matching problem by the sum of two quantities, including a regret of online max-min problem and a dynamic regret of online convex optimization (OCO) problem. Then we propose a novel online approach named Primal-Dual Online Algorithm (PDOA) to minimize both quantities. In particular, PDOA adopts the primal-dual framework by optimizing dual prices with the online gradient descent (OGD) algorithm to eliminate the online max-min problem's regret. Moreover, it maintains a set of OGD experts and combines them via an expert-tracking algorithm, which gives a sublinear dynamic regret bound for the OCO problem. We show that PDOA achieves an O(K sqrt{T(1+P_T)}) dynamic regret where K is the number of resources, T is the number of iterations and P_T is the path-length of any potential dual price sequence that reflects the dynamic environment. Finally, experiments on real applications exhibit the superiority of our approach.

Classically, the time complexity of a first-order method is estimated by its number of gradient computations. In this paper, we study a more refined complexity by taking into account the ``lingering'' of gradients: once a gradient is computed at $x_k$, the additional time to compute gradients at $x_{k+1},x_{k+2},\dots$ may be reduced. We show how this improves the running time of gradient descent and SVRG. For instance, if the "additional time'' scales linearly with respect to the traveled distance, then the "convergence rate'' of gradient descent can be improved from $1/T$ to $\exp(-T^{1/3})$. On the empirical side, we solve a hypothetical revenue management problem on the Yahoo! Front Page Today Module application with 4.6m users to $10^{-6}$ error (or $10^{-12}$ dual error) using 6 passes of the dataset.