Pavlo Melnyk
Pavlo Melnyk Paulus • Molendinarius

Postdoctoral Researcher

De Geometria Discenda

I study symmetry, structure, and equivariance in machine learning, developing geometric representations that bridge learning systems with the structure of the physical world.

I’m currently a postdoctoral researcher in the division of Computer Vision and Learning Systems, Linköping University, where I previously earned my PhD in Electrical Engineering with a specialisation in Computer Vision, focusing on Geometric Deep Learning. I was supervised by Michael Felsberg and funded by WASP. Further details can be found in my CV.

Research Themes
  • Geometric Deep Learning
  • Scientific Machine Learning
  • Robust Perception Systems
  • 3D Vision
Education
  • PhD Computer Vision

    Linköping University, Sweden

  • MEng Computer Science and Technology

    Hunan University, China

  • BEng Information Security Systems

    DonNTU, Ukraine

Featured Publications

QuaMo: Quaternion Motions for Vision-based 3D Human Kinematics Capture

Vision-based 3D human motion capture from videos remains a challenge in computer vision. Traditional 3D pose estimation approaches often ignore the temporal consistency between frames, causing implausible and jittery motion. The emerging field of kinematics-based 3D motion capture addresses these issues by estimating the temporal transitioning between poses instead. A major drawback in current kinematics approaches is their reliance on Euler angles. Despite their simplicity, Euler angles suffer from discontinuity that leads to unstable motion reconstructions, especially in online settings where trajectory refinement is unavailable. Contrarily, quaternions have no discontinuity and can produce continuous transitions between poses. In this paper, we propose QuaMo, a novel Quaternion Motions method using quaternion differential equations (QDE) for human kinematics capture. We utilize the state-space model, an effective system for describing real-time kinematics estimations, with quaternion state and the QDE describing quaternion velocity. The corresponding angular acceleration are computed from a meta-PD controller with a novel acceleration enhancement that adaptively regulates the control signals as the human quickly change to new pose. Unlike previous work, our QDE is solved under the quaternion geometric constraints that results in more accurate estimations. Experimental results show that our novel formulation of the QDE with acceleration enhancement accurately estimates 3D human kinematics with no discontinuity and minimal implausible artifact. QuaMo outperforms comparable state-of-the-art methods on multiple datasets, namely Human3.6M, Fit3D, SportsPose and a subset of AIST. The code is available at https://github.com/cuongle1206/QuaMo.

Equivariant Modelling for Catalysis on 2D MXenes

Merging advanced computations with machine learning, we aim to accelerate the exploration of catalytic behaviour in novel materials. We focus on two-dimensional (2D) Ti$_2$CT$_y$ MXenes, whose versatile surface chemistry makes them particularly compelling candidates for catalysis. However, resolving their composition and structure under realistic conditions requires going beyond the systems typically studied with density functional theory (DFT), as the computational cost of such calculations limits accessible system sizes and timescales, calling instead for more efficient approaches. To address this challenge, we generate a comprehensive dataset of 50,000 DFT calculations for training and 10,000 for testing, encompassing both Ti$_2$CT$_y$ MXene configurations and molecular systems, along with an augmented dataset where systems are artificially repeated to investigate how well models generalise to larger systems.Employing advances in geometric deep learning, we train and validate an equivariant (\ie symmetry-aware) model (EquiformerV2) that accurately predicts atomic forces and formation energies — quantities that DFT must repeatedly compute for structural and catalytic investigations — for these 2D materials. This combined DFT–ML framework achieves computational acceleration of the order ${\sim}10^3$–$10^4$ (on a CPU) while maintaining DFT-level accuracy (${\sim} {\pm} 45$ meV/Å for forces and ${\sim} {\pm} 6$ meV for per-atom energies), paving the way for more efficient investigations of MXene catalytic behaviour. Moreover, we confirm that the total energy prediction error of the model grows linearly with the number of atoms in an input system, while the force error remains the same, which, along with the equivariant model design, is a necessity for a robust model. The dataset and the trained models with the code are available at \url{https://github.com/CataLiUst}.

Embed Me If You Can: A Geometric Perceptron

Recent Publications
(2026). E$(n)$-Equivariant Spherical Decision Surfaces. ICLR 2026 Workshop GRaM.
(2026). QuaMo: Quaternion Motions for Vision-based 3D Human Kinematics Capture. ICLR 2026.
(2026). Flow Matching for Probabilistic Monocular 3D Human Pose Estimation. arXiv preprint.
(2026). On the Role of Rotation Equivariance in Monocular 3D Human Pose Estimation. arXiv preprint.
(2025). Equivariant Modelling for Catalysis on 2D MXenes. EurIPS 2025 Workshop on SIMBIOCHEM Spotlight (non-archival).
News

Paper accepted at GRaM @ ICLR'26 (PMLR track)

“E$(n)$-Equivariant Spherical Decision Surfaces” has been accepted at ICLR 2026 Workshop on Geometry-grounded Representation Learning and Generative Modeling.

Paper accepted at ICLR'26

“QuaMo: Quaternion Motions for Vision-based 3D Human Kinematics Capture” has been accepted at ICLR'26.

WASP 10-Year Anniversary Feature

I was delighted to be interviewed and featured in the WASP 10-year anniversary article series.

PhD Graduation Ceremony

I had the honor of participating in the centuries-old tradition along with some extraordinary honorary doctors.

PhD Defense

On this day, I defended my PhD thesis on “Spherical Neur$\text{O}(n)$s for Geometric Deep Learning”.