Portrait of Nikolaj T. Mücke

Nikolaj Takata Mücke

Postdoc · Delft University of Technology · Associated member, CWI

I am an applied mathematician working at the intersection of scientific computing, machine learning, and Bayesian inference. I am a postdoc at Delft University of Technology, the Netherlands, and an associated member of the Scientific Computing group at CWI, Amsterdam.

I develop fast surrogate models, physics-consistent generative methods, and data assimilation techniques for systems governed by partial differential equations, particularly turbulent flows, atmospheric dynamics, subsurface flow, and pipe flow. My research combines numerical simulation, scientific machine learning, and uncertainty quantification to extract as much information as possible from sparse observations. The goal is to strengthen the mathematical, computational, and statistical foundations of digital twins that forecast efficiently, adapt to real-world measurements, and provide reliable uncertainty estimates.

News: Together with Syver Døving Agdestein, I won 1st place in the NeurIPS 2026 RealPDE Competition (Track 2: Long-Term Test-Time Adaptation).

Publications

Journal Articles

Integrating Score-Based Diffusion Models with Machine Learning-Enhanced Localization for Advanced Data Assimilation in Geological Carbon Storage

Computational Geosciences

Physics-Aware Generative Models for Turbulent Fluid Flows Through Energy-Consistent Stochastic Interpolants

Computers & Fluids

Generative Super-Resolution of Turbulent Flows via Stochastic Interpolants

Scientific Reports

The Deep Latent Space Particle Filter for Real-Time Data Assimilation with Uncertainty Quantification

Scientific Reports

AI Enhanced Data Assimilation and Uncertainty Quantification Applied to Geological Carbon Storage

International Journal of Greenhouse Gas Control

Markov Chain Generative Adversarial Neural Networks for Solving Bayesian Inverse Problems in Physics Applications

Computers & Mathematics with Applications, special issue on Scientific Machine Learning

A Probabilistic Digital Twin for Leak Localization in Water Distribution Networks Using Generative Deep Learning

Sensors

Reduced Order Modeling for Parameterized Time-Dependent PDEs Using Spatially and Memory Aware Deep Learning

Journal of Computational Science
Conference & Workshop Proceedings

Xaurora: Finetuning an Atmospheric Foundation Model for Generative Weather Forecasting

Accepted at the NeurIPS 2026 workshop Tackling Climate Change with Machine Learning

Advancing Data Assimilation and Uncertainty Quantification for CO2 Sequestration through AI-Hybrid Methods

ECMOR 2024, European Conference on the Mathematics of Geological Reservoirs

Machine Learning-Based Digital Twin for Water Distribution Network Anomaly Detection and Localization

Engineering Proceedings, WDSA/CCWI 2024

Reduced Order Modelling for Wave-Structure Modelling

22nd IACM Computational Fluids Conference

Reduced Order Modelling for Dispersive and Nonlinear Water Wave Modelling

37th International Workshop on Water Waves and Floating Bodies

Reduced Order Modeling for Nonlinear PDE-Constrained Optimization Using Neural Networks

2019 IEEE 58th Conference on Decision and Control (CDC)
Preprints & Under Review

EC-EarthFlow: Probabilistic Emulation of Daily Transient Global Climate Model Simulations with Flow Matching

Submitted to Artificial Intelligence for the Earth Systems

Xaurora: Generative Weather Forecasting with Denoising Stochastic Interpolants from a Foundation Model Prior

Under review · Preprint on arXiv

A Unified Framework for Bayesian Data Assimilation with Generative Models and Observation Interpolants

Under review · Preprint on arXiv

When Does Boundary-Condition Uncertainty Outweigh Thermal and Vegetation Effects in Street Canyon Flow? A Global Sensitivity Analysis of Input Uncertainty

Submitted to Building and Environment

Leveraging Crowdsourced Weather Data across Europe with Scalable Multi-Fidelity Gaussian Process Regression

Submitted to Scientific Reports

Experience

Postdoc

Delft University of Technology, Department of Geoscience and Engineering

Working with Femke Vossepoel in the Horizon Europe project UrbanAIR, where I am also scientific co-coordinator. I develop data assimilation methods for three-dimensional urban atmospheric large-eddy simulations (LES), including state and parameter estimation under uncertain boundary conditions, and transformer-based neural surrogates that generalise across domains and geometries. I designed and built pyurbanair, which integrates Fortran LES solvers (uDALES, PALM, and LBM), ensemble simulation, and learned surrogates into a common framework. I collaborate with TU Ilmenau, NORCE, Barcelona Supercomputing Center, and Imperial College London.

Associated Member

Centrum Wiskunde & Informatica, Scientific Computing group

Continuing joint work with the group.

Postdoc

Centrum Wiskunde & Informatica, Scientific Computing group

Working with Benjamin Sanderse, funded by the NGF AiNed XS Europe grant we co-wrote. I developed energy-aware stochastic-interpolant generative models for probabilistic turbulence forecasting, and methods for conditioning generative models on observations. I collaborated on probabilistic climate and weather modelling with KNMI and Vrije Universiteit Amsterdam, and with DTU on super-resolution for turbulent flows.

AI Lead (part-time)

Spatialise, start-up founded at Wageningen University

I developed deep learning methods for soil organic carbon estimation from remote sensing data and the deep learning infrastructure on Databricks and Google Cloud, and led a small machine learning team. I led the machine learning contribution to a successful €350,000 ESA demonstration project proposal and to a €350,000 investment from UNIIQ, and was main applicant for two EuroCC computing allocations on Snellius.

PhD Candidate

Centrum Wiskunde & Informatica / Utrecht University

Research on neural network surrogate models for PDEs, generative priors, Bayesian inverse problems, and uncertainty quantification, aimed at real-time data assimilation for digital twins. Supervised by Cornelis W. Oosterlee and Sander M. Bohté.

Research Assistant

Technical University of Denmark, DTU Compute

Working with Allan Peter Engsig-Karup and Mads Peter Sørensen, I developed a GPU-accelerated C++ simulator for the generalised nonlinear Schrödinger equation, with Monte Carlo and polynomial-chaos uncertainty quantification. The project dealt with low-noise supercontinuum sources for ultra-high resolution optical coherence tomography.

Student Assistant

Ørsted, Numerical Competence Centre

I developed PDE-based buckling analysis for offshore-wind foundations and computational tools for wind-farm construction planning.

Science Communicator

Experimentarium, Hellerup

Experimentarium is a science museum mainly aimed at children and families. I hosted exhibitions, demonstrations, and live science shows for public audiences and school groups, and developed experiences explaining unfamiliar physical phenomena accessibly.

Teaching & Supervision

Supervision

Wind Forecasting for Renewable Energy

PhD project, Delft University of Technology — co-supervised with Femke Vossepoel

Turbulence Closure Modelling Using Stochastic Interpolants

Master thesis, Eindhoven University of Technology / CWI — co-supervised with Benjamin Sanderse

Diffusion Models for Time-Series Denoising

Bachelor thesis, Utrecht University — co-supervised with Cornelis W. Oosterlee

Guidance in Using Robotic-Arm-Assisted Surgical Systems for Knee Arthroplasty

Master thesis, Utrecht University — co-supervised with Cornelis W. Oosterlee

Stock-Price Simulation under Jump-Diffusion Dynamics: A WGAN-Based Framework with Anomaly Detection

Master thesis, Utrecht University — co-supervised with Cornelis W. Oosterlee

Hamiltonian Neural Networks for Fluid Flows

Internship, Centrum Wiskunde & Informatica — co-supervised with Benjamin Sanderse

Traditional and ML Approaches to Implied-Volatility Surfaces

Master thesis, Delft University of Technology — co-supervised with Cornelis W. Oosterlee
Teaching

Data Assimilation for the Geosciences

Delft University of Technology, MSc, 5 EC — Lecturing, assignment development, exercise sessions, project supervision

Neural Networks in Finance

Utrecht University, MSc — Curriculum development, lecturing, assignment development, exercise sessions, project supervision

Computational Imaging Masterclass

Centrum Wiskunde & Informatica, PhD level — Lecture and tutorial on generative models and Bayesian inverse problems

Scientific Computing for Differential Equations 2 (02687)

Technical University of Denmark, MSc, 5 ECTS — Teaching assistant

Advanced Engineering Mathematics 2 (01025)

Technical University of Denmark, BSc, 5 ECTS — Teaching assistant; awarded Teaching Assistant of the Year

Scientific Computing for Differential Equations (02685)

Technical University of Denmark, MSc, 10 ECTS — Teaching assistant

Conferences, Workshops & Seminars Organised

Minisymposia

Data Assimilation for Fluid Dynamics

Minisymposium, ICIAM 2027, The Hague (in preparation)

Co-Organisers: G. Hastermann (TU Ilmenau) and K. Takeda (Nagoya University)

Theory-Guided Design of Deep-Learning Surrogates

Minisymposium, ECCOMAS 2026, Munich

Co-Organisers: N. R. Franco, S. Brivio, and A. Manzoni (Politecnico di Milano)

Physics-Consistent Generative Modelling

Minisymposium, ENUMATH 2025, Heidelberg

Co-Organiser: Benjamin Sanderse

Deep-Learning Latent-Space Models for Scientific Computing

Minisymposium, SIAM CSE 2023, Amsterdam

Co-Organiser: Wouter Edeling

Machine Learning and Stochastic Modelling for Dynamical Systems

Minisymposium, SIAM UQ 2022, Atlanta

Co-Organiser: Wouter Edeling

Workshops

AIMET-NL Workshop: Scientific Machine Learning & Uncertainty Quantification

Workshop, Centrum Wiskunde & Informatica

Co-Organiser: Daan Crommelin

Digital Twins for Pipe-Transport Networks

Workshop, Centrum Wiskunde & Informatica

Co-Organisers: Prerna Pandey, Shashi Jain, Cornelis W. Oosterlee, and Sander M. Bohté

Machine Learning for Physics-Based Modelling

Workshop, Centrum Wiskunde & Informatica

Co-Organisers: Prerna Pandey, Shashi Jain, Cornelis W. Oosterlee, and Sander M. Bohté

AI and IoT for Flow Modelling

Workshop, Centrum Wiskunde & Informatica

Co-Organisers: Shashi Jain, Cornelis W. Oosterlee, and Sander M. Bohté

Seminars

Science Park Informal Probability Seminars

Centrum Wiskunde & Informatica / University of Amsterdam

Talks

Selected Invited Talks

NeurIPS RealPDE Competition, Track 2: Long-Term Test-Time Adaptation

NeurIPS 2026, Sydney

Presentation of our winning entry, together with Syver Døving Agdestein.

Energy-Consistent Generative Modelling for Forecasting and Data Assimilation via Stochastic Interpolants

5th AI for Mathematics (AIM) Workshop, Groningen

Energy-Consistent Generative Models for Physics Simulations

KNMI, De Bilt

Probabilistic Leak Localisation in Pipe Flows

Deltares, Delft

Soil Organic Carbon Monitoring with Deep Learning

AI4Copernicus, ESA and the Netherlands Space Office

Probabilistic Digital Twins for Leak Localisation

VORtech, Delft
Conference Presentations

ISDA 2026 (Nanjing) · EnKF Workshop 2026 (Oslo) · ENUMATH 2025 (Heidelberg) · SIAM CSE 2025 (Fort Worth) · ECCOMAS 2024 (Lisbon) · CFC 2023 (Cannes) · SIAM CSE 2023 (Amsterdam) · SIAM UQ 2022 (Atlanta) · MMLDT 2021 (San Diego) · ECMI 2021 (Wuppertal, online) · ENUMATH 2019 (Egmond aan Zee)

Service & Leadership

Leadership & Management

Scientific Co-Coordinator and Executive Committee Member, UrbanAIR

Horizon Europe consortium of 18 partner institutes

Writing and reviewing deliverables, coordinating scientific collaboration across partners, organising workshops, representing the consortium at conferences, and engaging with stakeholders.

Rotterdam Municipality Liaison, UrbanAIR

Liaison between the UrbanAIR consortium and the municipality of Rotterdam

PhD Hiring Committee Member, CWI

ERC Consolidator project SYMBIOSIS (PI: Benjamin Sanderse)
Research Community

AIMET-NL

Founding-group member of the Dutch community for AI in weather and climate

Reviewing

Journals: Neural Networks; Computers & Mathematics with Applications. Conferences: ICLR. External reviewer for an MSc thesis at Politecnico di Milano.

Software

pyurbanair

Open-source simulation and data assimilation framework for the Horizon Europe project UrbanAIR. It runs three CFD solvers (Lattice Boltzmann, uDALES, PALM) and neural surrogates in ensembles on HPC through a common interface, with ESMDA and ensemble Kalman filters (ETKF, LETKF) in JAX for estimating inflow parameters and flow states from sensor data. Includes a browser app that builds city cases from OpenStreetMap and an MCP server exposing the workflow to AI agents.

scientific-stochastic-interpolants

Framework for generative modelling of spatiotemporal PDE dynamics with stochastic interpolants, flow matching, and diffusion models. Applied to turbulent Navier–Stokes flow, urban LES, and KNMI climate simulations, with posterior sampling for Bayesian data assimilation from sparse observations and benchmark implementations of competing methods.

non_gaussian_data_assim

Library and experiment harness for ensemble data assimilation with non-Gaussian filters (EnKF, adaptive Gaussian mixture filter, particle flow filter, bootstrap particle filter), benchmarked on Lorenz 63, Lorenz 96, and Kuramoto–Sivashinsky systems.

SCIFiR

Scalable Crowdsource data Integration with multi-Fidelity Regression: maps daily temperature across Europe by combining sparse official stations with dense crowdsourced weather stations using a multi-fidelity Gaussian process. Developed in a collaboration between CWI and KNMI.

atlas

Local-first research library and project workspace built on Zotero, with Markdown/LaTeX notes, BibTeX export, literature feeds from arXiv and OpenAlex, and a local MCP server giving AI assistants full-text retrieval over the library.

Education

Degrees

PhD in Mathematics

Utrecht University; research conducted at Centrum Wiskunde & Informatica — awarded 27 June 2024

Thesis: Deep Learning for Real-Time Inverse Problems and Data Assimilation with Uncertainty Quantification for Digital Twins. Supervisors: Cornelis W. Oosterlee and Sander M. Bohté.

MSc, Mathematical Modelling and Computation

Technical University of Denmark

Thesis: Optimal Control of Nonlinear PDE Systems Using Reduced Order Modeling and Neural Networks.

BSc, Mathematics and Technology

Technical University of Denmark

Thesis: Dynamical Systems Approach to Optimal Tuna Trajectories.

Research Visits

Indian Institute of Science, Bangalore

Doctoral visit hosted by Shashi Jain — generative modelling and inverse problems for water-distribution systems

Shanghai Jiao Tong University, China

Research internship hosted by Lei Zhang — geometric mechanics, variational integrators, and liquid crystals
Exchange Semesters

Technical University of Munich, Germany

MSc exchange, Fakultät für Mathematik

University of Adelaide, Australia

BSc exchange
Summer/Winter Schools

International Graduate Summer School on “Frontiers of Applied and Computational Mathematics”

Shanghai Jiao Tong University, China

Experiencing China

Tsinghua University, China

Grants, Awards & Certifications

Awards

1st Place, NeurIPS RealPDE Competition

Scientific ML for Real-World Physical Systems, Track 2: Long-Term Test-Time Adaptation — joint entry with Syver Døving Agdestein (CWI)

Teaching Assistant of the Year

Technical University of Denmark, awarded by the student association for Advanced Engineering Mathematics 2
Research Grants & Computing Allocations

NWO Small Compute Application

950,000 SBU on Snellius for the UrbanAIR project — main applicant, with Femke Vossepoel

NGF AiNed XS Europe Grant

€80,000 for the project Entropy-consistent learning: harnessing the power of generative AI for realistic physics simulations — co-written with Benjamin Sanderse; funded my postdoc at CWI

COWIfonden

DKK 1.5 million (approx. €200,000) for A new digital-twin concept for floating offshore structures — PI: Allan Peter Engsig-Karup (DTU); contributed to the research idea and proposal

Oracle Research Grant

€34,000 in Oracle Cloud compute credits — main applicant, with Sander M. Bohté
Certifications

Coursera – Deep Learning Specialization