Related papers: ASKCOS: an open source software suite for synthesi…
ARES OS 2.0 (hereinafter ARES OS) is an open-source software suite to enable laboratory automation and closed-loop autonomous experimentation. Its function is to orchestrate experimental actions and data handoff between lab equipment,…
In this paper we present SynKB, an open-source, automatically extracted knowledge base of chemical synthesis protocols. Similar to proprietary chemistry databases such as Reaxsys, SynKB allows chemists to retrieve structured knowledge about…
Computer-aided synthesis planning (CASP) has made significant strides in generating retrosynthetic pathways for simple molecules in a non-constrained fashion. Recent work introduces a specialised bidirectional search algorithm with forward…
Computer-assisted surgical (CAS) systems enhance surgical execution and outcomes by providing advanced support to surgeons. These systems often rely on deep learning models trained on complex, challenging-to-annotate data. While synthetic…
The recent advent of autonomous laboratories, coupled with algorithms for high-throughput screening and active learning, promises to accelerate materials discovery and innovation. As these autonomous systems grow in complexity, the demand…
The surge of artificial intelligence, particularly large language models, has driven the rapid development of large-scale machine learning clusters. Executing distributed models on these clusters is often constrained by communication…
We introduce KAPSO, a modular framework for autonomous program synthesis and optimization. Given a natural language goal and an evaluation method, KAPSO iteratively performs ideation, code synthesis and editing, execution, evaluation, and…
Retrosynthesis is the process of recursively decomposing target molecules into available building blocks. It plays an important role in solving problems in organic synthesis planning. To automate or assist in the retrosynthesis analysis,…
Probabilistic programs are key to deal with uncertainty in e.g. controller synthesis. They are typically small but intricate. Their development is complex and error prone requiring quantitative reasoning over a myriad of alternative…
Task-based execution frameworks, such as parallel programming libraries, computational workflow systems, and function-as-a-service platforms, enable the composition of distinct tasks into a single, unified application designed to achieve a…
Current computer-aided synthesis planning (CASP) methods often treat retrosynthesis as solved once a single feasible route is identified, focusing primarily on convergence or shortest-path metrics. This view is misaligned with real-world…
Retrosynthesis is the task of planning a series of chemical reactions to create a desired molecule from simpler, buyable molecules. While previous works have proposed algorithms to find optimal solutions for a range of metrics (e.g.…
Retrosynthetic planning is a critical task in organic chemistry which identifies a series of reactions that can lead to the synthesis of a target product. The vast number of possible chemical transformations makes the size of the search…
In the current competitive environment, it is crucial for manufacturers to make the best decisions in the shortest time, in order to optimize the efficiency and effectiveness of the manufacturing systems. These decisions reach from the…
In the near future, autonomous space systems will compose many of the deployed spacecraft. Their tasks will involve autonomous rendezvous and proximity operations with large structures, such as inspections, assembly, and maintenance of…
Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…
Many Control Systems are indeed Software Based Control Systems, i.e. control systems whose controller consists of control software running on a microcontroller device. This motivates investigation on Formal Model Based Design approaches for…
ESP is an open-source research platform for heterogeneous SoC design. The platform combines a modular tile-based architecture with a variety of application-oriented flows for the design and optimization of accelerators. The ESP architecture…
Constraint answer set programming or CASP, for short, is a hybrid approach in automated reasoning putting together the advances of distinct research areas such as answer set programming, constraint processing, and satisfiability modulo…
Parallel computation is widely employed in scientific researches, engineering activities and product development. Parallel program writing itself is not always a simple task depending on problems solved. Large-scale scientific computing,…