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Overview

The Computational & Data Systems division was established in 2001 from what had been an informal computing services group. Its founding premise — that computational methods are not support infrastructure but core science — has shaped the division's culture ever since. CDS researchers do not provide analysis as a service to other groups; they participate in scientific projects as equal contributors, and they publish the methods they develop independently of any particular application domain.

The division spans three modes of work. The Distributed Learning Systems Group focuses on the engineering of training pipelines that scale reliably across hundreds or thousands of compute nodes, including the heterogeneous, fault-prone clusters typical of federated settings. The Probabilistic Inference Lab builds Bayesian computational tools for inverse problems that arise across MME, ECS and CNS — parameter estimation in physical simulators, uncertainty propagation through multi-stage pipelines, and calibrated decision support. The Human-Centred Computing Group studies how scientists interact with the outputs of complex systems and designs interfaces that make high-dimensional, uncertain data interpretable without flattening it.

CDS is the primary user of the Meridian High-Performance Computing Cluster, which the division co-designed and which now serves all of Veyra. Division researchers also contribute to the Institute's Software & AI Services, including the Veyra Atlas materials-property predictor.

Research themes

  • Communication-efficient distributed training — gradient compression, asynchronous protocols and convergence guarantees under partial participation.
  • Scientific Bayesian inference — variational methods, sequential Monte Carlo and probabilistic programming for coupled physical-statistical models.
  • Federated and privacy-preserving learning — Byzantine-resilient aggregation, differential privacy and secure multi-party computation.
  • Explainability and sensemaking — adaptive interfaces, uncertainty visualization and interactive model interrogation for domain scientists.
  • AI for materials and climate — ML-driven property prediction, surrogate models for expensive simulations, active learning for experiment design.

Selected publications

Full publications list

Ravelo N., Katsoulis P., Mbeki T.

Gradient compression with variable-rate quantization for federated learning under heterogeneous bandwidth

Journal of Distributed Computation, 2024 · VEYRA-DOI: 10.veyra/VX-1104

Eberhardt T., Solveig I., Faraday-Cole A.

Amortized variational inference for coupled physical-statistical models

Annals of Applied Statistics and Scientific Computation, 2023 · VEYRA-DOI: 10.veyra/VX-0891

Solveig I., Harnik R., Mbeki T.

Legibility under load: adaptive interface density in real-time data exploration

Proceedings of the Veyra Symposium on Human-Computer Interaction, 2024 · VEYRA-DOI: 10.veyra/VX-1201

Ravelo N., Chen W.

Byzantine-resilient aggregation without full participation: a majority-of-gradients approach

Transactions on Reliable Computing Systems, 2022 · VEYRA-DOI: 10.veyra/VX-0763

Eberhardt T., Dornac L.

Sequential Monte Carlo for high-dimensional geophysical inversion

Computational Geoscience Methods, 2023 · VEYRA-DOI: 10.veyra/VX-0822