Related papers: Procedural Synthesis of Synthesizable Molecules
We consider the problem of optimally designing a system for repeated use under uncertainty. We develop a modeling framework that integrates design and operational phases, which are represented by a mixed-integer program and discounted-cost…
Drug discovery is a complex, resource-intensive process requiring significant time and cost to bring new medicines to patients. Many generative models aim to accelerate drug discovery, but few produce synthetically accessible molecules.…
A significant challenge in wet lab experiments with current drug design generative models is the trade-off between pharmacological properties and synthesizability. Molecules predicted to have highly desirable properties are often difficult…
Anomaly localization is a practical technology for improving industrial production line efficiency. Due to anomalies are manifold and hard to be collected, existing unsupervised researches are usually equipped with anomaly synthesis…
We present a framework that takes a concurrent program composed of unsynchronized processes, along with a temporal specification of their global concurrent behaviour, and automatically generates a concurrent program with synchronization…
We propose a technique for synthesizing bidirectional programs from the corresponding unidirectional code plus a few input/output examples. The core ideas are: (1) constructing a sketch using the given unidirectional program as a…
We introduce the concept of structured synthesis for Markov decision processes where the structure is induced from finitely many pre-specified options for a system configuration. The resulting synthesis problem is in general a nonlinear…
In silico tools are important for generating novel hypotheses and exploring alternatives in de novo metabolic pathway design. However, while many computational frameworks have been proposed for retrobiosynthesis, few successful examples of…
Block-based visual programming environments play an increasingly important role in introducing computing concepts to K-12 students. In recent years, they have also gained popularity in neuro-symbolic AI, serving as a benchmark to evaluate…
The automatic generation of computer programs is one of the main applications with practical relevance in the field of evolutionary computation. With program synthesis techniques not only software developers could be supported in their…
A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. Existing solutions for this problem often struggle to effectively navigate exponentially large combinatorial space of…
When developing a biotechnological process, the microorganism is first designed, e.g., using metabolic engineering. Then, the optimum fermentation parameters are determined on a laboratory scale, and lastly, they are transferred to the…
Both bilevel and robust optimization are established fields of mathematical optimization and operations research. However, only until recently, the similarities in their mathematical structure has neither been studied theoretically nor…
System Level Synthesis (SLS) parametrization facilitates controller synthesis for large, complex, and distributed systems by incorporating system level constraints (SLCs) into a convex SLS problem and mapping its solution to stable…
Small molecules exhibiting desirable property profiles are often discovered through an iterative process of designing, synthesizing, and testing sets of molecules. The selection of molecules to synthesize from all possible candidates is a…
Program synthesis is the task of constructing a program conforming to a given specification. We focus on deductive synthesis, and in particular on synthesis problems with specifications given as $\forall\exists$-formulas, expressing the…
Program synthesis is the generation of a program from a specification. Correct synthesis is difficult, and methods that provide formal guarantees suffer from scalability issues. On the other hand, neural networks are able to generate…
For deterministic and probabilistic programs we investigate the problem of program synthesis and program optimisation (with respect to non-functional properties) in the general setting of global optimisation. This approach is based on the…
Program synthesis aims to {\it automatically} find programs from an underlying programming language that satisfy a given specification. While this has the potential to revolutionize computing, how to search over the vast space of programs…
We present an analysis technique for temporal specifications of reactive systems that identifies, on the level of individual system outputs over time, which parts of the implementation are determined by the specification, and which parts…