ZHANG Lei

Research研究方向

My research spans computational and applied mathematics and interdisciplinary science, with a focus on mathematical modeling, scientific computing, and artificial intelligence for complex nonlinear systems. My work is centered on solution landscapes and high-index saddle dynamics. I develop theories, algorithms, and software tools for exploring multistability, critical points, and transition pathways, and apply them to problems in condensed matter physics and materials science, including nucleation, phase transitions, and defects in liquid crystals. In the life sciences, I study the topology and function of biological networks, embryonic and plant development, cell-fate decisions, and dynamical modeling and inference from single-cell data. I also advance AI for Science by promoting the close integration of mathematical theory, computational methods, and experimental data.我的研究领域为计算与应用数学及交叉科学,致力于复杂非线性系统的数学建模、科学计算与人工智能方法。研究以解景观和高阶鞍点动力学为主线,发展用于探索多稳态、临界点与跃迁路径的理论、算法和软件工具,并将其应用于凝聚态物理与材料科学中的成核、相变、液晶缺陷等问题。在生命科学方面,关注生物网络的拓扑与功能、胚胎和植物发育、细胞命运决定,以及基于单细胞数据的动力学建模与推断;同时推进AI for Science,促进数学理论、计算方法与实验数据的深度融合。

Four-well potential and solution landscape: one index-2 saddle (a local maximum), four index-1 saddles, and four minima, connected by twelve descending paths. 四势井与解景观:一个二阶鞍点(局部极大值)、四个一阶鞍点和四个极小值,由十二条下降路径连接。
Solution landscape schematic解景观示意图 Index 2 × 1二阶鞍点 × 1 Index 1 × 4一阶鞍点 × 4 Minima × 4极小值 × 4

Solution landscapes & saddle dynamics解景观与鞍点动力学

Solution landscapes & saddle dynamics

Complex systems often possess multiple stable states and numerous unstable states. We introduced the original concept of the “solution landscape,” using saddle points of different indices and their connections to reveal the hierarchical structure of multiple-solution problems. We develop efficient algorithms and numerical analysis for high-index saddle dynamics, providing effective theoretical and algorithmic tools for constructing the global structure of complex systems and computing transition states and transition pathways.复杂系统往往存在多个稳定态与大量不稳定态。我们提出原创的“解景观”思想,通过计算不同指标的鞍点及其连接关系,揭示多解问题的层次结构;发展高阶鞍点动力学的高效算法及数值分析,为构建复杂系统的全局结构、过渡态和转移路径计算提供高效的理论与算法工具。

  • Multistability多稳态
  • Rare events稀有事件
  • Saddle-point computation鞍点计算
Selected publications代表论文 (4)
  1. Improved high-index saddle dynamics for finding saddle points and solution landscape · SIAM J. Numer. Anal · 2025
  2. Convergence analysis of discrete high-index saddle dynamics · SIAM J. Numer. Anal. · 2022
  3. Construction of a pathway map on a complicated energy landscape · Physical Review Letters 124 · 2020
  4. High-index Optimization-based Shrinking Dimer Method for Finding High-Index Saddle Points · SIAM J. Sci. Comput. · 2019

Physics & materials computation物理与材料科学计算

Physics & materials computation

We combine phase-field models, variational methods, and solution landscape computations to study defect structures, nucleation, and phase transitions in complex physical systems such as liquid crystals and quasicrystals. By computing stable states, saddle points, critical nuclei, and transition pathways, we seek to understand how structures form and transform and address major problems in complex physical and soft-matter systems, including crystal–quasicrystal transitions and excited states of Bose–Einstein condensates.结合相场模型、变分方法与解景观计算,研究液晶、准晶等复杂物理系统的缺陷结构、成核与相变。通过计算稳定态、鞍点、临界核和转变路径,理解结构的形成与转变,探索晶体—准晶转变及玻色–爱因斯坦凝聚体的激发态等复杂物理与软物质体系中的重大问题。

  • Phase-field models相场模型
  • Phase transitions成核与相变
  • Liquid crystals & quasicrystals液晶与准晶
Selected publications代表论文 (4)
  1. Hierarchical and ultrametric barriers in the energy landscape of jammed granular matter · Physical Review Letters · 2026
  2. Unlocking Hidden Topological Multistability via Biphasic Correlated Order Evolution · Physical Review Letters · 2026
  3. Revealing Excited States of Rotational Bose-Einstein Condensates · The Innovation · 2024
  4. Transition pathways connecting crystals and quasicrystals · Proceedings of the National Academy of Sciences · 2021

Quantitative & systems biology定量与系统生物学

Quantitative & systems biology

Combining dynamical systems, stochastic processes, solution landscapes, reaction–diffusion equations, and multicellular phase-field models, we study the design principles of biological networks, cell-fate decisions, embryonic and plant development, and spatiotemporal pattern formation. We seek to reveal how network topology, timescales, and noise jointly determine biological function, and integrate mathematical modeling, numerical simulation, and experimental validation to understand the roles of cell mechanics, signaling, and feedback in tissue morphogenesis.结合动力系统、随机过程、解景观、反应扩散方程与多细胞相场模型,研究生物网络的设计原理、细胞命运决定、胚胎与植物发育以及时空斑图形成。重点揭示网络拓扑、时间尺度与噪声如何共同决定生物功能,并通过数学建模、数值模拟与实验验证相结合,理解细胞力学、信号调控和反馈在组织形态发育中的作用。

  • Cell fate细胞命运
  • Network topology & function网络拓扑与功能
  • Morphological development形态发育
Selected publications代表论文 (5)
  1. Constructing a holistic map of cell fate decision by hyper solution landscape · Cell Systems · 2026
  2. Deciphering the molecular mechanisms of FET fusion oncoprotein–DNA hollow co-condensates · Nature Communications · 2025
  3. Coactivation of antagonistic genes stabilizes polarity patterning during shoot organogenesis · Science Advances · 2022
  4. Computable early Caenorhabditis elegans embryo with a phase field model · PLOS Computational Biology · 2022
  5. Network Topologies That Can Achieve Dual Function of Adaptation and Noise Attenuation · Cell Systems 9 · 2019

Scientific machine learning & AI for Science科学机器学习与AI for Science

Scientific machine learning & AI for Science

We develop neural network methods for PDEs and saddle-point searches, connect optimal transport with dynamics modeling, and analyze cell states using single-cell data. We study how mathematical structure and physical or biological constraints can improve the efficiency, reliability, and interpretability of learning methods.研究机器学习与科学计算的融合,发展用于偏微分方程求解与鞍点搜索的神经网络方法,结合最优传输理论研究动力学建模,并利用单细胞数据刻画细胞状态。关注数学结构及物理、生物学约束如何提高学习方法的效率、可靠性与可解释性。

  • Neural methods神经网络方法
  • Optimal transport最优传输
  • Single-cell data单细胞数据
Selected publications代表论文 (3)
  1. Beyond Continuity: Simulation-free Reconstruction of Discrete Branching Dynamics from Single-cell Snapshots · ICML · 2026
  2. Neural Network-based High-index Saddle Dynamics Method for Searching Saddle Points and Solution Landscape · SIAM J. Sci. Comput. · 2026
  3. Geometric Quantification of Cell Phenotype Transition Manifolds with Information Geometry · Cell Systems · 2026

Join the group加入课题组

We welcome applicants interested in computational mathematics and interdisciplinary science.欢迎对计算数学与交叉科学感兴趣的申请者。

  • Postdoctoral researchers博士后

    We recruit 1–2 postdoctoral researchers each year in computational and applied mathematics or interdisciplinary fields. We offer an annual pre-tax salary of RMB 250,000+ with PKU housing and medical benefits.每年招收1–2名博士后,欢迎计算与应用数学及交叉学科背景的申请者。税前年薪25万元以上,享有北大住房与医疗待遇。

  • PhD, master's & undergraduate students博士、硕士与本科生

    We welcome students with backgrounds in mathematics or interdisciplinary fields, a strong mathematical foundation, initiative, and a sustained commitment to research.欢迎数学及交叉学科背景的同学加入,要求数学基础扎实、积极主动,能够持续投入科研。

Please email with your CV if interested.有意者请邮件联系,并附个人简历。

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