Xiaoming Yuan

Ming-Chih Lai, Yongcun Song, Xiaoming Yuan et al.

We show that the physics-informed neural networks (PINNs), in combination with some recently developed discontinuity capturing neural networks, can be applied to solve optimal control problems subject to partial differential equations (PDEs) with interfaces and some control constraints. The resulting algorithm is mesh-free and scalable to different PDEs, and it ensures the control constraints rigorously. Since the boundary and interface conditions, as well as the PDEs, are all treated as soft constraints by lumping them into a weighted loss function, it is necessary to learn them simultaneously and there is no guarantee that the boundary and interface conditions can be satisfied exactly. This immediately causes difficulties in tuning the weights in the corresponding loss function and training the neural networks. To tackle these difficulties and guarantee the numerical accuracy, we propose to impose the boundary and interface conditions as hard constraints in PINNs by developing a novel neural network architecture. The resulting hard-constraint PINNs approach guarantees that both the boundary and interface conditions can be satisfied exactly or with a high degree of accuracy, and they are decoupled from the learning of the PDEs. Its efficiency is promisingly validated by some elliptic and parabolic interface optimal control problems.

Yongcun Song, Xiaoming Yuan, Hangrui Yue

We consider a general class of nonsmooth optimal control problems with partial differential equation (PDE) constraints, which are very challenging due to its nonsmooth objective functionals and the resulting high-dimensional and ill-conditioned systems after discretization. We focus on the application of a primal-dual method, with which different types of variables can be treated individually and thus its main computation at each iteration only requires solving two PDEs. Our target is to accelerate the primal-dual method with either larger step sizes or operator learning techniques. For the accelerated primal-dual method with larger step sizes, its convergence can be still proved rigorously while it numerically accelerates the original primal-dual method in a simple and universal way. For the operator learning acceleration, we construct deep neural network surrogate models for the involved PDEs. Once a neural operator is learned, solving a PDE requires only a forward pass of the neural network, and the computational cost is thus substantially reduced. The accelerated primal-dual method with operator learning is mesh-free, numerically efficient, and scalable to different types of PDEs. The acceleration effectiveness of these two techniques is promisingly validated by some preliminary numerical results.

Huanhai Xin, Wei Dong, Deqiang Gan et al.

Short circuit ratio (SCR) is widely applied to analyze the strength of AC system and the small signal stability for single power elec-tronic based devices infeed systems (SPEISs). However, there still lacking the theory of short circuit ratio applicable for multi power electronic based devices infeed systems (MPEIS), as the complex coupling among multi power electronic devices (PEDs) leads to difficulties in stability analysis. In this regard, this paper firstly proposes a concept named generalized short circuit ratio (gSCR) to measure the strength of connected AC grid in a multi-infeed system from the small signal stability point of view. Generally, the gSCR is physically and mathematically extended from conven-tional SCR by decomposing the multi-infeed system into n inde-pendent single infeed systems. Then the operation gSCR (OgSCR) is proposed based on gSCR in order to take the variation of op-eration point into consideration. The participation factors and sensitivity are analyzed as well. Finally, simulations are conducted to demonstrate the rationality and effectiveness of the defined gSCR and OgSCR.

Yunwen Lei, Zimeng Wang, Xiaoming Yuan

Variance reduction (VR) methods employ stochastic gradients with decreasing variance, and they have been widely applied to solve large-scale optimization problems in machine learning because of their efficiency. Existing theoretical studies of VR methods are mainly focused on the convergence analysis, leaving the generalization behavior largely unexplored. In this paper, we bridge this gap by developing the first non-vacuous generalization analysis of the representative VR method: Stochastic Variance Reduced Gradient (SVRG), through the lens of algorithmic stability. In particular, we establish sharp stability bounds of the SVRG in both convex and strongly convex settings by exploiting its algorithmic structure. The obtained bounds are data-dependent, because the training errors are incorporated along the trajectory. Our analysis clarifies the interplay between optimization and generalization, leading to optimal excess population risk bounds in both settings. Our approach differs substantially from existing analyses of stochastic algorithms in the sense that we decompose the SVRG update as an SGD-like step plus a zero-mean correction term and then introduce novel Lyapunov functions to absorb the additional gradient terms induced by the reference points. Our analytical framework can be generalized to other VR methods, and we demonstrate the generalization by the well-known Stochastic Average Gradient Accelerated (SAGA) method.

Yunwen Lei, Zimeng Wang, Xiaoming Yuan

Stochastic gradient descent with momentum (SGDM) is one of the most widely used optimization algorithms in machine learning. While optimization properties of SGDM have been extensively studied in the literature, it remains insufficiently understood whether and when SGDM can generalize well to unseen data. In particular, it has been conjectured that while momentum accelerates training, it may degrade generalization. In this paper, we close this gap by developing a comprehensive generalization analysis of SGDM through the lens of algorithmic stability. More specifically, we introduce a generalized SGDM framework that encompasses both Polyak's and Nesterov's momentum schemes, and establish tight on-average model stability bounds for smooth and convex problems. Notably, the obtained bounds exploit small optimization error bounds along the trajectory, apply to any momentum parameter in the interval $[0, 1)$, and do not require the commonly assumed Lipschitzness of loss functions. We further derive optimization error bounds for the generalized SGDM, and combine them with our generalization analyses to obtain optimal excess population risk bounds for SGDM with both Polyak's and Nesterov's momentum.

Zimeng Wang, Zhiyang Dou, Rui Xu et al.

We introduce Coverage Axis++, a novel and efficient approach to 3D shape skeletonization. The current state-of-the-art approaches for this task often rely on the watertightness of the input or suffer from substantial computational costs, thereby limiting their practicality. To address this challenge, Coverage Axis++ proposes a heuristic algorithm to select skeletal points, offering a high-accuracy approximation of the Medial Axis Transform (MAT) while significantly mitigating computational intensity for various shape representations. We introduce a simple yet effective strategy that considers shape coverage, uniformity, and centrality to derive skeletal points. The selection procedure enforces consistency with the shape structure while favoring the dominant medial balls, which thus introduces a compact underlying shape representation in terms of MAT. As a result, Coverage Axis++ allows for skeletonization for various shape representations (e.g., water-tight meshes, triangle soups, point clouds), specification of the number of skeletal points, few hyperparameters, and highly efficient computation with improved reconstruction accuracy. Extensive experiments across a wide range of 3D shapes validate the efficiency and effectiveness of Coverage Axis++. Our codes are available at https://github.com/Frank-ZY-Dou/Coverage_Axis.

Yongcun Song, Xiaoming Yuan, Hangrui Yue et al.

We propose an optimization-informed deep neural network approach, named iUzawa-Net, aiming for the first solver that enables real-time solutions for a class of nonsmooth optimal control problems of linear partial differential equations (PDEs). The iUzawa-Net unrolls an inexact Uzawa method for saddle point problems, replacing classical preconditioners and PDE solvers with specifically designed learnable neural networks. We prove universal approximation properties and establish the asymptotic $\varepsilon$-optimality for the iUzawa-Net, and validate its promising numerical efficiency through nonsmooth elliptic and parabolic optimal control problems. Our techniques offer a versatile framework for designing and analyzing various optimization-informed deep learning approaches to optimal control and other PDE-constrained optimization problems. The proposed learning-to-control approach synergizes model-based optimization algorithms and data-driven deep learning techniques, inheriting the merits of both methodologies.

Yongcun Song, Xiaoming Yuan, Hangrui Yue

We study the combination of the alternating direction method of multipliers (ADMM) with physics-informed neural networks (PINNs) for a general class of nonsmooth partial differential equation (PDE)-constrained optimization problems, where additional regularization can be employed for constraints on the control or design variables. The resulting ADMM-PINNs algorithmic framework substantially enlarges the applicable range of PINNs to nonsmooth cases of PDE-constrained optimization problems. The application of the ADMM makes it possible to untie the PDE constraints and the nonsmooth regularization terms for iterations. Accordingly, at each iteration, one of the resulting subproblems is a smooth PDE-constrained optimization which can be efficiently solved by PINNs, and the other is a simple nonsmooth optimization problem which usually has a closed-form solution or can be efficiently solved by various standard optimization algorithms or pre-trained neural networks. The ADMM-PINNs algorithmic framework does not require to solve PDEs repeatedly, and it is mesh-free, easy to implement, and scalable to different PDE settings. We validate the efficiency of the ADMM-PINNs algorithmic framework by different prototype applications, including inverse potential problems, source identification in elliptic equations, control constrained optimal control of the Burgers equation, and sparse optimal control of parabolic equations.

Pengxiang Zhao, Hanyu Hu, Ping Li et al.

Pruning is a critical strategy for compressing trained large language models (LLMs), aiming at substantial memory conservation and computational acceleration without compromising performance. However, existing pruning methods often necessitate inefficient retraining for billion-scale LLMs or rely on heuristic methods such as the optimal brain surgeon framework, which degrade performance. In this paper, we introduce FISTAPruner, the first post-training pruner based on convex optimization models and algorithms. Specifically, we propose a convex optimization model incorporating $\ell_1$ norm to induce sparsity and utilize the FISTA solver for optimization. FISTAPruner incorporates an intra-layer cumulative error correction mechanism and supports parallel pruning. We comprehensively evaluate FISTAPruner on models such as OPT, LLaMA, LLaMA-2, and LLaMA-3 with 125M to 70B parameters under unstructured and 2:4 semi-structured sparsity, demonstrating superior performance over existing state-of-the-art methods across various language benchmarks.

Risheng Liu, Pan Mu, Xiaoming Yuan et al.

In recent years, a variety of gradient-based methods have been developed to solve Bi-Level Optimization (BLO) problems in machine learning and computer vision areas. However, the theoretical correctness and practical effectiveness of these existing approaches always rely on some restrictive conditions (e.g., Lower-Level Singleton, LLS), which could hardly be satisfied in real-world applications. Moreover, previous literature only proves theoretical results based on their specific iteration strategies, thus lack a general recipe to uniformly analyze the convergence behaviors of different gradient-based BLOs. In this work, we formulate BLOs from an optimistic bi-level viewpoint and establish a new gradient-based algorithmic framework, named Bi-level Descent Aggregation (BDA), to partially address the above issues. Specifically, BDA provides a modularized structure to hierarchically aggregate both the upper- and lower-level subproblems to generate our bi-level iterative dynamics. Theoretically, we establish a general convergence analysis template and derive a new proof recipe to investigate the essential theoretical properties of gradient-based BLO methods. Furthermore, this work systematically explores the convergence behavior of BDA in different optimization scenarios, i.e., considering various solution qualities (i.e., global/local/stationary solution) returned from solving approximation subproblems. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed algorithm for hyper-parameter optimization and meta-learning tasks. Source code is available at https://github.com/vis-opt-group/BDA.

Pengxiang Zhao, Ping Li, Yingjie Gu et al.

As deep learning models exponentially increase in size, optimizers such as Adam encounter significant memory consumption challenges due to the storage of first and second moment data. Current memory-efficient methods like Adafactor and CAME often compromise accuracy with their matrix factorization techniques. Addressing this, we introduce Adapprox, a novel approach that employs randomized low-rank matrix approximation for a more effective and accurate approximation of Adam's second moment. Adapprox features an adaptive rank selection mechanism, finely balancing accuracy and memory efficiency, and includes an optional cosine similarity guidance strategy to enhance stability and expedite convergence. In GPT-2 training and downstream tasks, Adapprox surpasses AdamW by achieving 34.5% to 49.9% and 33.8% to 49.9% memory savings for the 117M and 345M models, respectively, with the first moment enabled, and further increases these savings without the first moment. Besides, it enhances convergence speed and improves downstream task performance relative to its counterparts.

Hongxu Chen, Ke Wei, Xiaoming Yuan et al.

The empirical evidence indicates that stochastic optimization with heavy-tailed gradient noise is more appropriate to characterize the training of machine learning models than that with standard bounded gradient variance noise. Most existing works on this phenomenon focus on the convergence of optimization errors, while the analysis for generalization bounds under the heavy-tailed gradient noise remains limited. In this paper, we develop a general framework for establishing generalization bounds under heavy-tailed noise. Specifically, we introduce a truncation argument to achieve the generalization error bound based on the algorithmic stability under the assumption of bounded $p$th centered moment with $p\in(1,2]$. Building on this framework, we further provide the stability and generalization analysis for several popular stochastic algorithms under heavy-tailed noise, including clipped and normalized stochastic gradient descent, as well as their mini-batch and momentum variants.

Hanyu Hu, Pengxiang Zhao, Ping Li et al.

The rapid increase in the size of large language models (LLMs) has significantly escalated their computational and memory demands, posing challenges for efficient deployment, especially on resource-constrained devices. Structured pruning has emerged as an effective model compression method that can reduce these demands while preserving performance. In this paper, we introduce FASP (Fast and Accurate Structured Pruning), a novel structured pruning framework for LLMs that emphasizes both speed and accuracy. FASP employs a distinctive pruning structure that interlinks sequential layers, allowing for the removal of columns in one layer while simultaneously eliminating corresponding rows in the preceding layer without incurring additional performance loss. The pruning metric, inspired by Wanda, is computationally efficient and effectively selects components to prune. Additionally, we propose a restoration mechanism that enhances model fidelity by adjusting the remaining weights post-pruning. We evaluate FASP on the OPT and LLaMA model families, demonstrating superior performance in terms of perplexity and accuracy on downstream tasks compared to state-of-the-art methods. Our approach achieves significant speed-ups, pruning models such as OPT-125M in 17 seconds and LLaMA-30B in 15 minutes on a single NVIDIA RTX 4090 GPU, making it a highly practical solution for optimizing LLMs.

Hanyu Hu, Xiaoming Yuan

The deployment of large language models (LLMs) is often constrained by their substantial computational and memory demands. While structured pruning presents a viable approach by eliminating entire network components, existing methods suffer from performance degradation, reliance on heuristic metrics, or expensive finetuning. To address these challenges, we propose SPAP (Structured Pruning via Alternating Optimization and Penalty Methods), a novel and efficient structured pruning framework for LLMs grounded in optimization theory. SPAP formulates the pruning problem through a mixed-integer optimization model, employs a penalty method that effectively makes pruning decisions to minimize pruning errors, and introduces an alternating minimization algorithm tailored to the splittable problem structure for efficient weight updates and performance recovery. Extensive experiments on OPT, LLaMA-3/3.1/3.2, and Qwen2.5 models demonstrate SPAP's superiority over state-of-the-art methods, delivering linear inference speedups (1.29$\times$ at 30% sparsity) and proportional memory reductions. Our work offers a practical, optimization-driven solution for pruning LLMs while preserving model performance.

Pengxiang Zhao, Xiaoming Yuan

Large Language Models (LLMs) face significant deployment challenges due to their substantial resource requirements. While low-bit quantized weights can reduce memory usage and improve inference efficiency, current hardware lacks native support for mixed-precision General Matrix Multiplication (mpGEMM), resulting in inefficient dequantization-based implementations. Moreover, uniform quantization methods often fail to capture weight distributions adequately, leading to performance degradation. We propose GANQ (GPU-Adaptive Non-Uniform Quantization), a layer-wise post-training non-uniform quantization framework optimized for hardware-efficient lookup table-based mpGEMM. GANQ achieves superior quantization performance by utilizing a training-free, GPU-adaptive optimization algorithm to efficiently reduce layer-wise quantization errors. Extensive experiments demonstrate GANQ's ability to reduce the perplexity gap from the FP16 baseline compared to state-of-the-art methods for both 3-bit and 4-bit quantization. Furthermore, when deployed on a single NVIDIA RTX 4090 GPU, GANQ's quantized models achieve up to 2.57$\times$ speedup over the baseline, advancing memory and inference efficiency in LLM deployment.

Chunhui Zhang, Xiaoming Yuan, Qianyun Zhang et al.

Neural networks often encounter various stringent resource constraints while deploying on edge devices. To tackle these problems with less human efforts, automated machine learning becomes popular in finding various neural architectures that fit diverse Artificial Intelligence of Things (AIoT) scenarios. Recently, to prevent the leakage of private information while enable automated machine intelligence, there is an emerging trend to integrate federated learning and neural architecture search (NAS). Although promising as it may seem, the coupling of difficulties from both tenets makes the algorithm development quite challenging. In particular, how to efficiently search the optimal neural architecture directly from massive non-independent and identically distributed (non-IID) data among AIoT devices in a federated manner is a hard nut to crack. In this paper, to tackle this challenge, by leveraging the advances in ProxylessNAS, we propose a Federated Direct Neural Architecture Search (FDNAS) framework that allows for hardware-friendly NAS from non- IID data across devices. To further adapt to both various data distributions and different types of devices with heterogeneous embedded hardware platforms, inspired by meta-learning, a Cluster Federated Direct Neural Architecture Search (CFDNAS) framework is proposed to achieve device-aware NAS, in the sense that each device can learn a tailored deep learning model for its particular data distribution and hardware constraint. Extensive experiments on non-IID datasets have shown the state-of-the-art accuracy-efficiency trade-offs achieved by the proposed solution in the presence of both data and device heterogeneity.

Congpei An, Hao-Ning Wu, Xiaoming Yuan

The total variation (TV) regularization has phenomenally boosted various variational models for image processing tasks. We propose to combine the backward diffusion process in the earlier literature of image enhancement with the TV regularization, and show that the resulting enhanced TV minimization model is particularly effective for reducing the loss of contrast. The main purpose of this paper is to establish stable reconstruction guarantees for the enhanced TV model from noisy subsampled measurements with two sampling strategies, non-adaptive sampling for general linear measurements and variable-density sampling for Fourier measurements. In particular, under some weaker restricted isometry property conditions, the enhanced TV minimization model is shown to have tighter reconstruction error bounds than various TV-based models for the scenario where the level of noise is significant and the amount of measurements is limited. Advantages of the enhanced TV model are also numerically validated by preliminary experiments on the reconstruction of some synthetic, natural, and medical images.

Risheng Liu, Xuan Liu, Xiaoming Yuan et al.

Bi-level optimization model is able to capture a wide range of complex learning tasks with practical interest. Due to the witnessed efficiency in solving bi-level programs, gradient-based methods have gained popularity in the machine learning community. In this work, we propose a new gradient-based solution scheme, namely, the Bi-level Value-Function-based Interior-point Method (BVFIM). Following the main idea of the log-barrier interior-point scheme, we penalize the regularized value function of the lower level problem into the upper level objective. By further solving a sequence of differentiable unconstrained approximation problems, we consequently derive a sequential programming scheme. The numerical advantage of our scheme relies on the fact that, when gradient methods are applied to solve the approximation problem, we successfully avoid computing any expensive Hessian-vector or Jacobian-vector product. We prove the convergence without requiring any convexity assumption on either the upper level or the lower level objective. Experiments demonstrate the efficiency of the proposed BVFIM on non-convex bi-level problems.

Chunhui Zhang, Yongyuan Liang, Xiaoming Yuan et al.

To prevent the leakage of private information while enabling automated machine intelligence, there is an emerging trend to integrate federated learning and Neural Architecture Search (NAS). Although promising as it may seem, the coupling of difficulties from both two tenets makes the algorithm development quite challenging. In particular, how to efficiently search the optimal neural architecture directly from massive non-iid data of clients in a federated manner remains to be a hard nut to crack. To tackle this challenge, in this paper, by leveraging the advances in proxy-less NAS, we propose a Federated Direct Neural Architecture Search (FDNAS) framework that allows hardware-aware NAS from decentralized non-iid data of clients. To further adapt for various data distributions of clients, inspired by meta-learning, a cluster Federated Direct Neural Architecture Search (CFDNAS) framework is proposed to achieve client-aware NAS, in the sense that each client can learn a tailored deep learning model for its particular data distribution. Extensive experiments on real-world non-iid datasets show state-of-the-art accuracy-efficiency trade-offs for various hardware and data distributions of clients. Our codes will be released publicly upon paper acceptance.

Xingguo Li, Tuo Zhao, Xiaoming Yuan et al.

This paper describes an R package named flare, which implements a family of new high dimensional regression methods (LAD Lasso, SQRT Lasso, $\ell_q$ Lasso, and Dantzig selector) and their extensions to sparse precision matrix estimation (TIGER and CLIME). These methods exploit different nonsmooth loss functions to gain modeling flexibility, estimation robustness, and tuning insensitiveness. The developed solver is based on the alternating direction method of multipliers (ADMM). The package flare is coded in double precision C, and called from R by a user-friendly interface. The memory usage is optimized by using the sparse matrix output. The experiments show that flare is efficient and can scale up to large problems.

Risheng Liu, Pan Mu, Xiaoming Yuan et al.

In recent years, a variety of gradient-based first-order methods have been developed to solve bi-level optimization problems for learning applications. However, theoretical guarantees of these existing approaches heavily rely on the simplification that for each fixed upper-level variable, the lower-level solution must be a singleton (a.k.a., Lower-Level Singleton, LLS). In this work, we first design a counter-example to illustrate the invalidation of such LLS condition. Then by formulating BLPs from the view point of optimistic bi-level and aggregating hierarchical objective information, we establish Bi-level Descent Aggregation (BDA), a flexible and modularized algorithmic framework for generic bi-level optimization. Theoretically, we derive a new methodology to prove the convergence of BDA without the LLS condition. Our investigations also demonstrate that BDA is indeed compatible to a verify of particular first-order computation modules. Additionally, as an interesting byproduct, we also improve these conventional first-order bi-level schemes (under the LLS simplification). Particularly, we establish their convergences with weaker assumptions. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed BDA for different tasks, including hyper-parameter optimization and meta learning.

Risheng Liu, Long Ma, Xiaoming Yuan et al.

This paper firstly proposes a convex bilevel optimization paradigm to formulate and optimize popular learning and vision problems in real-world scenarios. Different from conventional approaches, which directly design their iteration schemes based on given problem formulation, we introduce a task-oriented energy as our latent constraint which integrates richer task information. By explicitly re-characterizing the feasibility, we establish an efficient and flexible algorithmic framework to tackle convex models with both shrunken solution space and powerful auxiliary (based on domain knowledge and data distribution of the task). In theory, we present the convergence analysis of our latent feasibility re-characterization based numerical strategy. We also analyze the stability of the theoretical convergence under computational error perturbation. Extensive numerical experiments are conducted to verify our theoretical findings and evaluate the practical performance of our method on different applications.

Wei Shen, Zhenhuan Yang, Yiming Ying et al.

In this paper we study the stability and its trade-off with optimization error for stochastic gradient descent (SGD) algorithms in the pairwise learning setting. Pairwise learning refers to a learning task which involves a loss function depending on pairs of instances among which notable examples are bipartite ranking, metric learning, area under ROC (AUC) maximization and minimum error entropy (MEE) principle. Our contribution is twofold. Firstly, we establish the stability results of SGD for pairwise learning in the convex, strongly convex and non-convex settings, from which generalization bounds can be naturally derived. Secondly, we establish the trade-off between stability and optimization error of SGD algorithms for pairwise learning. This is achieved by lower-bounding the sum of stability and optimization error by the minimax statistical error over a prescribed class of pairwise loss functions. From this fundamental trade-off, we obtain lower bounds for the optimization error of SGD algorithms and the excess expected risk over a class of pairwise losses. In addition, we illustrate our stability results by giving some specific examples of AUC maximization, metric learning and MEE.

Zheng Xu, Gavin Taylor, Hao Li et al.

The alternating direction method of multipliers (ADMM) is commonly used for distributed model fitting problems, but its performance and reliability depend strongly on user-defined penalty parameters. We study distributed ADMM methods that boost performance by using different fine-tuned algorithm parameters on each worker node. We present a O(1/k) convergence rate for adaptive ADMM methods with node-specific parameters, and propose adaptive consensus ADMM (ACADMM), which automatically tunes parameters without user oversight.

Zheng Xu, Mario A. T. Figueiredo, Xiaoming Yuan et al.

Many modern computer vision and machine learning applications rely on solving difficult optimization problems that involve non-differentiable objective functions and constraints. The alternating direction method of multipliers (ADMM) is a widely used approach to solve such problems. Relaxed ADMM is a generalization of ADMM that often achieves better performance, but its efficiency depends strongly on algorithm parameters that must be chosen by an expert user. We propose an adaptive method that automatically tunes the key algorithm parameters to achieve optimal performance without user oversight. Inspired by recent work on adaptivity, the proposed adaptive relaxed ADMM (ARADMM) is derived by assuming a Barzilai-Borwein style linear gradient. A detailed convergence analysis of ARADMM is provided, and numerical results on several applications demonstrate fast practical convergence.