Xingyu Xie

Nithin Somasekharan, Ling Yue, Yadi Cao et al.

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains underexplored. As the major workhorse of computational science over the past decades, Computational Fluid Dynamics (CFD) offers a uniquely challenging testbed for evaluating the scientific capabilities of LLMs. We introduce CFDLLMBench, a benchmark suite comprising three complementary components -- CFDQuery, CFDCodeBench, and FoamBench -- designed to holistically evaluate LLM performance across three key competencies: graduate-level CFD knowledge, numerical and physical reasoning of CFD, and context-dependent implementation of CFD workflows. Grounded in real-world CFD practices, our benchmark combines a detailed task taxonomy with a rigorous evaluation framework to deliver reproducible results and quantify LLM performance across code executability, solution accuracy, and numerical convergence behavior. CFDLLMBench establishes a solid foundation for the development and evaluation of LLM-driven automation of numerical experiments for complex physical systems. Code and data are available at https://github.com/NREL-Theseus/cfdllmbench/.

Tiancheng Shen, Yuechen Zhang, Lu Qi et al.

To segment 4K or 6K ultra high-resolution images needs extra computation consideration in image segmentation. Common strategies, such as down-sampling, patch cropping, and cascade model, cannot address well the balance issue between accuracy and computation cost. Motivated by the fact that humans distinguish among objects continuously from coarse to precise levels, we propose the Continuous Refinement Model~(CRM) for the ultra high-resolution segmentation refinement task. CRM continuously aligns the feature map with the refinement target and aggregates features to reconstruct these images' details. Besides, our CRM shows its significant generalization ability to fill the resolution gap between low-resolution training images and ultra high-resolution testing ones. We present quantitative performance evaluation and visualization to show that our proposed method is fast and effective on image segmentation refinement. Code will be released at https://github.com/dvlab-research/Entity.

Xingyu Xie, Qiuhao Wang, Zenan Ling et al.

Implicit equilibrium models, i.e., deep neural networks (DNNs) defined by implicit equations, have been becoming more and more attractive recently. In this paper, we investigate an emerging question: can an implicit equilibrium model's equilibrium point be regarded as the solution of an optimization problem? To this end, we first decompose DNNs into a new class of unit layer that is the proximal operator of an implicit convex function while keeping its output unchanged. Then, the equilibrium model of the unit layer can be derived, named Optimization Induced Equilibrium Networks (OptEq), which can be easily extended to deep layers. The equilibrium point of OptEq can be theoretically connected to the solution of its corresponding convex optimization problem with explicit objectives. Based on this, we can flexibly introduce prior properties to the equilibrium points: 1) modifying the underlying convex problems explicitly so as to change the architectures of OptEq; and 2) merging the information into the fixed point iteration, which guarantees to choose the desired equilibrium point when the fixed point set is non-singleton. We show that deep OptEq outperforms previous implicit models even with fewer parameters. This work establishes the first step towards the optimization-guided design of deep models.

Xingyu Xie, Hao Kong, Jianlong Wu et al.

While successful in many fields, deep neural networks (DNNs) still suffer from some open problems such as bad local minima and unsatisfactory generalization performance. In this work, we propose a novel architecture called Maximum-and-Concatenation Networks (MCN) to try eliminating bad local minima and improving generalization ability as well. Remarkably, we prove that MCN has a very nice property; that is, \emph{every local minimum of an $(l+1)$-layer MCN can be better than, at least as good as, the global minima of the network consisting of its first $l$ layers}. In other words, by increasing the network depth, MCN can autonomously improve its local minima's goodness, what is more, \emph{it is easy to plug MCN into an existing deep model to make it also have this property}. Finally, under mild conditions, we show that MCN can approximate certain continuous functions arbitrarily well with \emph{high efficiency}; that is, the covering number of MCN is much smaller than most existing DNNs such as deep ReLU. Based on this, we further provide a tight generalization bound to guarantee the inference ability of MCN when dealing with testing samples.

Xingyu Xie, Jianlong Wu, Zhisheng Zhong et al.

Recently, a number of learning-based optimization methods that combine data-driven architectures with the classical optimization algorithms have been proposed and explored, showing superior empirical performance in solving various ill-posed inverse problems, but there is still a scarcity of rigorous analysis about the convergence behaviors of learning-based optimization. In particular, most existing analyses are specific to unconstrained problems but cannot apply to the more general cases where some variables of interest are subject to certain constraints. In this paper, we propose Differentiable Linearized ADMM (D-LADMM) for solving the problems with linear constraints. Specifically, D-LADMM is a K-layer LADMM inspired deep neural network, which is obtained by firstly introducing some learnable weights in the classical Linearized ADMM algorithm and then generalizing the proximal operator to some learnable activation function. Notably, we rigorously prove that there exist a set of learnable parameters for D-LADMM to generate globally converged solutions, and we show that those desired parameters can be attained by training D-LADMM in a proper way. To the best of our knowledge, we are the first to provide the convergence analysis for the learning-based optimization method on constrained problems.

Xingyu Xie, Jianlong Wu, Guangcan Liu et al.

In this paper, we study the problem of matrix recovery, which aims to restore a target matrix of authentic samples from grossly corrupted observations. Most of the existing methods, such as the well-known Robust Principal Component Analysis (RPCA), assume that the target matrix we wish to recover is low-rank. However, the underlying data structure is often non-linear in practice, therefore the low-rankness assumption could be violated. To tackle this issue, we propose a novel method for matrix recovery in this paper, which could well handle the case where the target matrix is low-rank in an implicit feature space but high-rank or even full-rank in its original form. Namely, our method pursues the low-rank structure of the target matrix in an implicit feature space. By making use of the specifics of an accelerated proximal gradient based optimization algorithm, the proposed method could recover the target matrix with non-linear structures from its corrupted version. Comprehensive experiments on both synthetic and real datasets demonstrate the superiority of our method.