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Pingwen Zhang

Publications and source records attributed to Pingwen Zhang.

At least 19 recordsLinked to original sources

Asymptotic properties of the Bingham distribution in arbitrary dimensions

The Bingham distribution is widely used to model directional data with antipodal symmetry, and a central analytical object is the normalizing constant $Z$. Even though efficient algorithms exist for bounded or moderate parameter values, its singular behavior in general dimensions remains underexplored in the literature. We use a well-known integral representation to obtain asymptotic series of $Z$ and its derivatives, which lead to asymptotic profiles of its moments. Then, we also study the asymptotic behavior of the Bingham entropy, and prove its decomposition into an explicit logarithmic leading term and a Lipschitz continuous correction term. The degeneration of higher-dimensional Bingham distributions to their lower-dimensional counterparts is observed in both the asymptotic series and the entropy.

math.PR

ReasFlow: Assisting Reasoning-Centric Scientific Discovery in Applied Mathematics via a Knowledge-Based Multi-Agent System

Recent advances in Large Language Models have fueled autonomous AI agents capable of tackling complex scientific tasks, yet existing automated research systems remain predominantly focused on empirically driven domains with quantitative benchmarks, leaving theory-driven discovery, particularly in mathematically grounded disciplines requiring rigorous proofs and synthesis of domain knowledge, largely underexplored. Key challenges include the difficulty of verifying theoretical reasoning at scale, insufficient reasoning ability for autonomous frontier exploration, and a scarcity of procedural heuristics in the literature. We introduce ReasFlow, an end-to-end autonomous agent system for reasoning-centric scientific discovery that operationalizes a collaborative paradigm where the human expert acts as Principal Investigator while the agent executes rigorous derivations as a capable graduate student. ReasFlow incorporates (i) a robust internal verification loop that audits logical coherence and corrects fundamental errors prior to human inspection, and (ii) an automated knowledge retrieval and self-improvement mechanism that proactively surfaces both declarative facts and overlooked procedural heuristics, substantially reducing expert intervention. The system unifies literature synthesis, algorithm design, theorem proving, experimentation, and manuscript preparation in a single system. Deployed to autonomously generate five complete research papers with rigorous theoretical and empirical content from minimal prompts, ReasFlow consistently achieves the highest evaluation scores among state-of-the-art open-access baselines under a curated LLM-based review rubric. ReasFlow is publicly accessible via the ReasLab platform, providing a collaborative workspace for AI-assisted theoretical research. Github repo: https://github.com/reaslab/ReasFlow.git.

cs.AI

Framework for Quasiperiodic Interfaces: Proximal Coincidence Point Set and Computation

We present a unified theoretical and computational framework that bridges mathematical quasiperiodicity with classical crystallographic models. Based on a rigorous cut-and-projection construction, the proposed proximal coincidence point set (PCPS) theory extends the classical coincidence site lattice model and further incorporates physically motivated perturbations encoding interfacial atomic mobility as well as visual indistinguishability. Spectral characteristics of PCPS naturally motivate a conserved Landau-Brazovskii model combined with projection method, yielding unified high accuracy in resolving quasiperiodic order across the entire interfacial plane. Representative quasiperiodic features are revealed in our numerical results, including generalized Fibonacci sequences in BCC [110] tilt GBs, as well as repetitive patterns within the interstices of dislocation networks in low-angle BCC [100] twist GBs and phase boundaries between BCC and face-centered cubic crystals. In high-angle BCC [100] twist GBs, 12- and 8-fold quasicrystals emerge, while the PCPS theory combined with cyclotomic field projections further explains their restrictions of non-crystallographic symmetries. This framework not only provides a rigorous theoretical explanation for interface structures but also offers a path toward modeling other types of incommensurate structures.

cond-mat.mtrl-sci

Phason-Driven Diversity of Nucleation Pathways in Icosahedral Quasicrystals

The nucleation of quasicrystals remains a fundamental puzzle, primarily due to the absence of a periodic translational template. Here, we demonstrate that phasons - hidden degrees of freedom unique to quasiperiodic order - drive diverse nucleation pathways in icosahedral quasicrystals (IQCs). Combining a Landau free-energy model with the spring pair method, we compute distinct critical nuclei and their corresponding minimum energy paths. At low temperatures, a direct, symmetry-preserving pathway dominates. In contrast, higher temperatures promote a "symmetry detour" that reduces the nucleation barrier via a lower-symmetry critical nucleus. Remarkably, while the resulting bulk IQCs exhibit distinct real-space symmetries, they remain thermodynamically degenerate with identical diffraction patterns. We resolve this paradox within the high-dimensional projection framework, showing that phason shifts modulate real-space symmetry without altering bulk thermodynamics. Our findings establish phasons as the structural origin of pathway diversity, offering a new physical picture for the emergence of quasiperiodic order.

cond-mat.soft

From molecular model to tensor model of nematic liquid crystals through entropy decomposition

In the mathematical modeling of nematic liquid crystals, a practical and physically reliable $\mathbf{Q}$-tensor model can be derived from Onsager's molecular model with the Bingham closure. However, this procedure leads to a singular entropy term that implicitly depends on $\mathbf{Q}$, creating both computational and theoretical difficulties. In this paper, we characterize this entropy contribution by splitting it into a singular but explicit leading term and an implicit but regular correction term, the latter of which is proven to be sufficiently regular to be accurately approximated numerically, for example, by neural networks. This yields a computationally convenient free energy that can be used for the computation of nematic liquid crystals. Our numerical experiments demonstrate that the resulting free energy can capture the isotropic-nematic phase transition as well as the free-boundary droplet configurations.

cond-mat.soft

Representation of quasi-periodic functions and Hausdorff-Young inequalities for Besicovitch almost periodic functions

For a class of $\mathbb{R}^d$-ations and $\mathbb{Z}^d$-actions on the $n$-dimensional torus $\mathbb{T}^n$, we characterize their unique ergodicity and establish a theorem of Weyl type. This result allows us to establish an isomorphism between the Banach algebra of quasi-periodic functions with spectrum in a given $\mathbb{Z}$-module and the Banach algebra of periodic functions on a torus. This, in return, allows us to give a very simple proof of Hausdorff-Young inequalities for Besicovitch almost periodic functions. The regularity of the parent function of a quasi-periodic function is also studied.

math.CA

Exploring transition pathways in the Landau-Brazovskii model

The Landau-Brazovskii model provides a theoretical framework for describing various phases arising from competing short- and long-range interactions in many physical systems. In this work, we investigate phase transitions among various ordered phases within the three-dimensional Landau-Brazovskii model. We construct the phase diagram of this model, which encompasses eight distinct phases, and systematically compute the transition pathways connecting various metastable and stable states using the Landau-Brazovskii saddle dynamics. Along each transition pathway, the critical nucleus is identified with some detailed analyses of its shape, energy barrier, and Hessian eigenvalues. Furthermore, we explore how the transition state is influenced by model parameters, revealing systematic trends in critical nucleus sizes and energy barrier heights. Our results provide a comprehensive characterization of the nucleation mechanisms within the Landau-Brazovskii model and offer valuable insights into the structural transformations of modulated-phase systems.

cond-mat.mtrl-sci

Nonlinear Assimilation via Score-based Sequential Langevin Sampling

This paper introduces score-based sequential Langevin sampling (SSLS), a novel approach to nonlinear data assimilation within a recursive Bayesian filtering framework. The proposed method decomposes the assimilation process into alternating prediction and update steps, using dynamic models for state prediction and incorporating observational data via score-based Langevin Monte Carlo during the updates. To overcome inherent challenges in highly non-log-concave posterior sampling, we integrate an annealing strategy into the update mechanism. Theoretically, we establish convergence guarantees for SSLS in total variation (TV) distance, yielding concrete insights into the algorithm's error behavior with respect to key hyperparameters. Crucially, our derived error bounds demonstrate the asymptotic stability of SSLS, guaranteeing that local posterior sampling errors do not accumulate indefinitely over time. Extensive numerical experiments across challenging scenarios, including high-dimensional systems, strong nonlinearity, and sparse observations, highlight the robust performance of the proposed method. Furthermore, SSLS effectively quantifies the uncertainty associated with state estimates, rendering it particularly valuable for reliable error calibration.

math.NA

Stability of diverse dodecagonal quasicrystals in T-shaped liquid crystalline molecules

Quasicrystals are intriguing ordered structures characterized by the lack of translational symmetry and the existence of rotational symmetry. The tiling of different geometric units such as triangles and squares in two-dimensional space can result in a great variety of quasicrystals that could be realized by the self-assembly of liquid crystalline molecules. In this study, we introduce three self-similar dodecagonal tilings, including a novel Diamond-Square-Triangle pattern, composed of triangular and quadrangular tiles and examine their thermodynamic stability by using the self-consistent field theory applied to T-shaped liquid crystalline molecules. Specifically, we detail the inflation rules for the construction of these dodecagonal tilings and analyze their self-similarity, and show that these tilings can be viewed as projections of higher-dimensional periodic lattice points with projection windows. Using these dodecagonal tilings as initial configurations of the SCFT results in solutions corresponding to quasicrystals that could form from the T-shaped liquid crystalline molecules. The relative stability of these aperiodic phases is analyzed to obtain design rules that could stabilize quasicrystals. Meanwhile, we provide two criteria for distinguishing three dodecagonal quasicrystals and their approximants by analyzing their diffraction peaks. These findings shed new lighten on the discovery of new quasicrystals in soft materials.

cond-mat.soft

Designing a minimal Landau theory to stabilize desired quasicrystals

Interparticle interactions with multiple length scales play a pivotal role in the formation and stability of quasicrystals. Choosing a minimal set of length scales to stabilize a given quasicrystal is a challenging problem. To address this challenge, we propose an intelligent screening method (ISM) to design a Landau theory with a minimal number of length scales -- referred to as the minimal Landau theory -- that includes only the essential length scales necessary to stabilize quasicrystals. Based on a generalized multiple-length-scale Landau theory, ISM first evaluates various spectral configurations of candidate structures under a hard constraint. It then identifies the configuration with the lowest free energy. Using this optimal configuration, ISM calculates phase diagrams to explore the thermodynamic stability of desired quasicrystals. ISM can design a minimal Landau theory capable of stabilizing the desired quasicrystals by incrementally increasing the number of length scales. Our application of ISM has not only confirmed known behaviors in 10- and 12-fold quasicrystals but also led to a significant prediction that quasicrystals with 8-, 14-, 16-, and 18-fold symmetry could be stable within three-length-scale Landau models.

cond-mat.mtrl-sci

Nucleation and phase transition of decagonal quasicrystals

In this work, we study the nucleation of quasicrystals from liquid or periodic crystals by developing an efficient order-order phase transition algorithm, namely the nullspace-preserving saddle search method. Specifically, we focus on nucleation and phase transitions of the decagonal quasicrystal (DQC) based on the Lifshitz-Petrich model. We present the nucleation path of DQC from the liquid and demonstrate one- and two-stage transition paths between DQC and periodic crystals. We provide a perspective of the group-subgroup phase transition and nucleation rates to understand the nucleation and phase transition mechanisms involving DQC. These results reveal the one-step and stepwise modes of symmetry breaking or recovery in the phase transition from DQC, where the stepwise modes are more probable.

cond-mat.mtrl-sci

A diffuse-interface Landau-de Gennes model for free-boundary problems in the theory of nematic liquid crystals

We introduce a diffuse-interface Landau-de Gennes free energy for nematic liquid crystals (NLC) systems, with free boundaries, in three dimensions submerged in isotropic liquid, and a phase field is introduced to model the deformable interface. The energy consists of the original Landau-de Gennes free energy, three penalty terms and a volume constraint. We prove the existence and regularity of minimizers for the diffuse-interface energy functional. We also prove a uniform maximum principle of the minimizer under appropriate assumptions, together with a uniqueness result for small domains. Then, we establish a sharp-interface limit where minimizers of the diffuse-interface energy converge to a minimizer of a sharp-interface energy using methods from $\Gamma$-convergence. Finally, we conduct numerical experiments with the diffuse-interface model and the findings are compared with existing works.

math.AP

State-observation augmented diffusion model for nonlinear assimilation with unknown dynamics

Data assimilation has become a key technique for combining physical models with observational data to estimate state variables. However, classical assimilation algorithms often struggle with the high nonlinearity present in both physical and observational models. To address this challenge, a novel generative model, termed the State-Observation Augmented Diffusion (SOAD) model is proposed for data-driven assimilation. The marginal posterior associated with SOAD has been derived and then proved to match the true posterior distribution under mild assumptions, suggesting its theoretical advantages over previous score-based approaches. Experimental results also indicate that SOAD may offer improved performance compared to existing data-driven methods.

cs.LG

DRM Revisited: A Complete Error Analysis

In this work, we address a foundational question in the theoretical analysis of the Deep Ritz Method (DRM) under the over-parameteriztion regime: Given a target precision level, how can one determine the appropriate number of training samples, the key architectural parameters of the neural networks, the step size for the projected gradient descent optimization procedure, and the requisite number of iterations, such that the output of the gradient descent process closely approximates the true solution of the underlying partial differential equation to the specified precision?

math.NA

Characteristic Learning for Provable One Step Generation

We propose the characteristic generator, an one-step generative model that combines the sampling efficiency of generative adversarial networks (GANs) with the training stability of flow-based models. The proposed model is based on characteristics along which probability-density transport is governed by ordinary differential equations (ODEs). Specifically, we first estimate the underlying velocity field and numerically solve the probability-flow ODE using an exponential integrator, thereby obtaining discrete approximations of the characteristic trajectories. We then train a deep neural network to approximate these trajectories, yielding a one-step transport map from a Gaussian prior to the target distribution. Theoretically, we analyze the errors introduced by velocity-field estimation, numerical discretization, and characteristic approximation, and establish a nonasymptotic convergence rate in the Wasserstein-2 distance under mild assumptions on the data distribution. Moreover, under a low-dimensional linear-subspace assumption, we show that the convergence rate depends on the intrinsic data dimension rather than the potentially much larger ambient dimension, demonstrating the model's ability to alleviate the curse of dimensionality. Experiments on synthetic and real-world datasets show that the characteristic generator produces high-quality, high-resolution samples using only one or a few neural-network evaluations.

cs.LG

Irrational-window-filter projection method and application to quasiperiodic Schr\"odinger eigenproblems

In this paper, we propose a new algorithm, the irrational-window-filter projection method (IWFPM), for quasiperiodic systems with concentrated spectral point distribution. Based on the projection method (PM), IWFPM filters out dominant spectral points by defining an irrational window and uses a corresponding index-shift transform to make the FFT available. The error analysis on the function approximation level is also given. We apply IWFPM to 1D, 2D, and 3D quasiperiodic Schr\"odinger eigenproblems (QSEs) to demonstrate its accuracy and efficiency. IWFPM exhibits a significant computational advantage over PM for both extended and localized quantum states. More importantly, by using IWFPM, the existence of Anderson localization in 2D and 3D QSEs is numerically verified.

math.NA

Latent assimilation with implicit neural representations for unknown dynamics

Data assimilation is crucial in a wide range of applications, but it often faces challenges such as high computational costs due to data dimensionality and incomplete understanding of underlying mechanisms. To address these challenges, this study presents a novel assimilation framework, termed Latent Assimilation with Implicit Neural Representations (LAINR). By introducing Spherical Implicit Neural Representations (SINR) along with a data-driven uncertainty estimator of the trained neural networks, LAINR enhances efficiency in assimilation process. Experimental results indicate that LAINR holds certain advantage over existing methods based on AutoEncoders, both in terms of accuracy and efficiency.

cs.LG

Theory of polygonal phases self-assembled from T-shaped liquid crystalline molecules

Extensive experimental studies have shown that numerous ordered phases can be formed via the self-assembly of T-shaped liquid crystalline molecules (TLCMs) composed of a rigid backbone, two flexible end chains and a flexible side chain. However, a comprehensive understanding of the stability and formation mechanisms of these intricately nanostructured phases remains incomplete. Here we fill this gap by carrying out a theoretical study of the phase behaviour of TLCMs. Specifically, we construct phase diagrams of TLCMs by computing the free energy of different ordered phases of the system. Our results reveal that the number of polygonal edges increases as the length of side chain or interaction strength increases, consistent with experimental observations. The theoretical study not only reproduces the experimentally observed phases and phase transition sequences, but also systematically analyzes the stability mechanism of the polygonal phases.

cond-mat.soft