Corey Liam Lammie, Hadjer Benmeziane, et al.
SOCC 2026
The Accelerated Discovery Orchestrator (ado) is a Python package that addresses a recurring challenge in research software development: implementing common capabilities for design of experiments (DoE) and execution of related computational experiment campaigns. These cross-cutting capabilities span methodology (design-space specification, sampling, analysis), interface (CLI and configuration management), execution (parallel and scale-out), and data (sharing, provenance, and reuse). ado delivers these capabilities across domains through a lightweight plugin model, where integrating new components can be as simple as decorating a Python function. This is enabled by ado’s core abstraction: the Discovery Space. Out-of-the-box, ado includes state-of-the-art optimization algorithms and predictive modeling tools, alongside experiments targeting foundation-model performance. Our aim is for ado to become a focal point for developing and consuming advanced capabilities for defining and executing experiment campaigns.
Corey Liam Lammie, Hadjer Benmeziane, et al.
SOCC 2026
Julian Büchel, Athanasios Vasilopoulos, et al.
Nat. Comput. Sci.
Michael Johnston, Andrew Ian Duff, et al.
Journal of Physical Chemistry B
Venkata Vamsikrishna Meduri, Abdul Quamar, et al.
VLDB Journal