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Hua Su

Publications and source records attributed to Hua Su.

11 recordsLinked to original sources

First-Order Optimization under Uniform Nondegeneracy: Geometry, Computation, and Information

Strongly convex minimization and its natural indefinite extension to strongly convex--strongly concave minimax problems combine quantitative control of curvature with a prescribed curvature orientation. We disentangle these two roles by retaining uniform nondegeneracy alone: curvature remains uniformly separated from zero but may have either sign, with no prescribed positive--negative splitting. Surprisingly, a large part of the familiar theory nevertheless re-emerges. We first derive an intrinsic formulation through first-order secant inequalities, making the gradient on $\mathbb{R}^d$ a global bi-Lipschitz homeomorphism and yielding a unique stationary point. We then pair signed Moreau envelopes to construct a smooth scalar merit that recovers the missing descent geometry at both zeroth and first order, and the resulting paired proximal descent method achieves global linear convergence with dimension-free first-order oracle complexity. Meanwhile, we show that this tractability can break down on restricted domains: merely assuming the existence of a stationary point in the domain may lead to the curse of dimensionality, even with access to an infinite-order oracle. To overcome this information barrier, we introduce certified feasibility, an observable localization condition that enables feasible continuation. Together, these results establish a first-order optimization theory under uniform nondegeneracy that spans geometry, computation, and information.

math.OC

Computing Saddle Points in Stiff Problems via a Preconditioned High-index Saddle Dynamics Method

High-index saddle dynamics (HiSD) is an effective approach for computing saddle points of a prescribed Morse index and constructing solution landscapes for complex nonlinear systems. However, for problems with ill-conditioned Hessians arising from fine discretizations or stiff potentials, the efficiency of standard HiSD deteriorates as its convergence rate worsens with the spectral condition number $\kappa$. To address this issue, we propose a preconditioned HiSD (p-HiSD) framework that reformulates the continuous dynamics within a Riemannian metric induced by a symmetric positive definite preconditioner $M$. By generalizing orthogonal reflections and unstable-subspace tracking to the $M$-inner product, the proposed scheme modifies the geometry of the saddle-search dynamics while remaining computationally efficient. Rigorous theoretical analysis confirms that the equilibria and their Morse indices are invariant under this metric. Furthermore, we establish the local exponential stability of the continuous dynamics and prove a discrete linear convergence rate governed by the preconditioned condition number $\kappa_M$. Consequently, the iteration complexity is sharply reduced from $O(\kappa\log(1/\epsilon))$ to $O(\kappa_M\log(1/\epsilon))$. We validate the method on nine numerical tests spanning finite-dimensional model problems, stiff lattice systems, and PDE discretizations. The results demonstrate that p-HiSD resolves stiffness-induced convergence failures, permits substantially larger step sizes, and significantly reduces iteration counts.

math.NA

SaddleScape V1.0: A Python Package for Constructing Solution Landscapes via High-index Saddle Dynamics

We present SaddleScape V1.0, a Python software package designed for the exploration and construction of solution landscapes in complex systems. The package implements the High-index Saddle Dynamics (HiSD) framework and its variants, including the Generalized HiSD for non-gradient systems and the Accelerated HiSD. SaddleScape V1.0 enables the systematic identification of critical points, including both local minima and high-index saddle points, by dynamically updating both the state estimate and an associated subspace characterizing the saddle's local manifold. It supports both gradient systems, defined by energy functions/functionals, and general non-gradient autonomous dynamical systems. Key features include automatic differentiation for symbolic inputs, numerical approximation techniques for Hessian-vector products, diverse eigenvalue solvers, and algorithms for constructing solution landscapes. The software offers a user-friendly interface with flexible parameter configuration, tools for trajectory and landscape visualization, and data export capabilities. By providing an efficient and accessible implementation of advanced saddle dynamics, SaddleScape V1.0 facilitates the construction of solution landscapes, empowering researchers in various scientific disciplines to gain deeper insights into the hierarchical structure of complex systems. The source code is available at the repository https://github.com/HiSDpackage/saddlescape. The package's introductory website is available at https://hisdpackage.github.io/saddlescape.

math.NA

SPIKE: Stable Physics-Informed Kernel Evolution Method for Solving Hyperbolic Conservation Laws

We introduce the Stable Physics-Informed Kernel Evolution (SPIKE) method for numerical computation of inviscid hyperbolic conservation laws. SPIKE resolves a fundamental paradox: how strong-form residual minimization can capture weak solutions containing discontinuities. SPIKE employs reproducing kernel representations with regularized parameter evolution, where Tikhonov regularization provides a smooth transition mechanism through shock formation, allowing the dynamics to traverse shock singularities. This approach automatically maintains conservation, tracks characteristics, and captures shocks satisfying Rankine-Hugoniot conditions within a unified framework requiring no explicit shock detection or artificial viscosity. Numerical validation across scalar and vector-valued conservation laws confirms the method's effectiveness.

math.NA

Improved high-index saddle dynamics for finding saddle points and solution landscape

We present an improved high-index saddle dynamics (iHiSD) for finding saddle points and constructing solution landscapes, which is a crossover dynamics from gradient flow to traditional HiSD such that the Morse theory for gradient flow could be involved. We propose analysis for the reflection manifold in iHiSD, and then prove its stable and nonlocal convergence from outside of the region of attraction to the saddle point, which resolves the dependence of the convergence of HiSD on the initial value. We then present and analyze a discretized iHiSD that inherits these convergence properties. Furthermore, based on the Morse theory, we prove that any two saddle points could be connected by a sequence of trajectories of iHiSD. Theoretically, this implies that a solution landscape with a finite number of stationary points could be completely constructed by means of iHiSD, which partly answers the completeness issue of the solution landscape for the first time and indicates the necessity of integrating the gradient flow in HiSD. Different methods are compared by numerical experiments to substantiate the effectiveness of the iHiSD method.

math.NA

Global-Local Detail Guided Transformer for Sea Ice Recognition in Optical Remote Sensing Images

The recognition of sea ice is of great significance for reflecting climate change and ensuring the safety of ship navigation. Recently, many deep learning based methods have been proposed and applied to segment and recognize sea ice regions. However, the diverse scales of sea ice areas, the zigzag and fine edge contours, and the difficulty in distinguishing different types of sea ice pose challenges to existing sea ice recognition models. In this paper, a Global-Local Detail Guided Transformer (GDGT) method is proposed for sea ice recognition in optical remote sensing images. In GDGT, a global-local feature fusiont mechanism is designed to fuse global structural correlation features and local spatial detail features. Furthermore, a detail-guided decoder is developed to retain more high-resolution detail information during feature reconstruction for improving the performance of sea ice recognition. Experiments on the produced sea ice dataset demonstrated the effectiveness and advancement of GDGT.

cs.CV

Global Mapping of Gene/Protein Interactions in PubMed Abstracts: A Framework and an Experiment with P53 Interactions

Gene/protein interactions provide critical information for a thorough understanding of cellular processes. Recently, considerable interest and effort has been focused on the construction and analysis of genome-wide gene networks. The large body of biomedical literature is an important source of gene/protein interaction information. Recent advances in text mining tools have made it possible to automatically extract such documented interactions from free-text literature. In this paper, we propose a comprehensive framework for constructing and analyzing large-scale gene functional networks based on the gene/protein interactions extracted from biomedical literature repositories using text mining tools. Our proposed framework consists of analyses of the network topology, network topology-gene function relationship, and temporal network evolution to distill valuable information embedded in the gene functional interactions in literature. We demonstrate the application of the proposed framework using a testbed of P53-related PubMed abstracts, which shows that literature-based P53 networks exhibit small-world and scale-free properties. We also found that high degree genes in the literature-based networks have a high probability of appearing in the manually curated database and genes in the same pathway tend to form local clusters in our literature-based networks. Temporal analysis showed that genes interacting with many other genes tend to be involved in a large number of newly discovered interactions.

q-bio.MN

Learning Deep Implicit Functions for 3D Shapes with Dynamic Code Clouds

Deep Implicit Function (DIF) has gained popularity as an efficient 3D shape representation. To capture geometry details, current methods usually learn DIF using local latent codes, which discretize the space into a regular 3D grid (or octree) and store local codes in grid points (or octree nodes). Given a query point, the local feature is computed by interpolating its neighboring local codes with their positions. However, the local codes are constrained at discrete and regular positions like grid points, which makes the code positions difficult to be optimized and limits their representation ability. To solve this problem, we propose to learn DIF with Dynamic Code Cloud, named DCC-DIF. Our method explicitly associates local codes with learnable position vectors, and the position vectors are continuous and can be dynamically optimized, which improves the representation ability. In addition, we propose a novel code position loss to optimize the code positions, which heuristically guides more local codes to be distributed around complex geometric details. In contrast to previous methods, our DCC-DIF represents 3D shapes more efficiently with a small amount of local codes, and improves the reconstruction quality. Experiments demonstrate that DCC-DIF achieves better performance over previous methods. Code and data are available at https://github.com/lity20/DCCDIF.

cs.CV

Global optimization of expensive black-box models based on asynchronous hybrid-criterion with interval reduction

In this paper, a new sequential surrogate-based optimization (SSBO) algorithm is developed, which aims to improve the global search ability and local search efficiency for the global optimization of expensive black-box models. The proposed method involves three basic sub-criteria to infill new samples asynchronously to balance the global exploration and local exploitation. First, to capture the promising possible global optimal region, searching for the global optimum with genetic algorithm (GA) based on the current surrogate models of the objective and constraint functions. Second, to infill samples in the region with sparse samples to improve the global accuracy of the surrogate models, a grid searching with Latin hypercube sampling (LHS) with the current surrogate model is adopted to explore the sample space. Third, to accelerate the local searching efficiency, searching for a local optimum with sequential quadratic programming (SQP) based on the local surrogate models in the reduced interval, which involves some samples near the current optimum. When the new sample is too close to the existing ones, the new sample should be abandoned, due to the poor additional information. According to the three sub-criteria, the new samples are placed in the regions which have not been fully explored and includes the possible global optimum point. When a possible global optimum point is found, the local searching sub-criterion captures the local optimum around it rapidly. Numerical and engineering examples are used to verify the efficiency of the proposed method. The statistical results show that the proposed method has good global searching ability and efficiency.

stat.ML

Classification of Protein Crystallization X-Ray Images Using Major Convolutional Neural Network Architectures

The generation of protein crystals is necessary for the study of protein molecular function and structure. This is done empirically by processing large numbers of crystallization trials and inspecting them regularly in search of those with forming crystals. To avoid missing the hard-gained crystals, this visual inspection of the trial X-ray images is done manually as opposed to the existing less accurate machine learning methods. To achieve higher accuracy for automation, we applied some of the most successful convolutional neural networks (ResNet, Inception, VGG, and AlexNet) for 10-way classification of the X-ray images. We showed that substantial classification accuracy is gained by using such networks compared to two simpler ones previously proposed for this purpose. The best accuracy was obtained from ResNet (81.43%), which corresponds to a missed crystal rate of 5.9%. This rate could be lowered to less than 0.1% by using a top-3 classification strategy. Our dataset consisted of 486,000 internally annotated images, which was augmented to more than a million to address class imbalance. We also provide a label-wise analysis of the results, identifying the main sources of error and inaccuracy.

cs.CV

A sequential surrogate method for reliability analysis based on radial basis function

A radial basis function (RBF) based sequential surrogate reliability method (SSRM) is proposed, in which a special optimization problem is solved to update the surrogate model of the limit state function (LSF) iteratively. The objective of the optimization problem is to find a new point to maximize the probability density function (PDF), subject to the constraints that the new point is on the approximated LSF and the minimum distance to the existing points is greater than or equal to the given distance. By updating the surrogate model with the new points, the surrogate model of the LSF becomes more and more accurate in the important region with a high failure probability and on the LSF boundary. Moreover, the accuracy of the unimportant region is also improved within the iteration due to the minimum distance constraint. SSRM takes advantage of the information of PDF and LSF to capture the failure features, which decreases the number of the expensive LSF evaluations. Six numerical examples show that SSRM improves the accuracy of the surrogate model in the important region around the failure boundary with small number of samples and has better adaptability to the nonlinear LSF, hence increases the accuracy and efficiency of the reliability analysis.

stat.CO