Related papers: Tango*: Constrained synthesis planning using chemi…
Retrosynthetic planning is a fundamental task in organic chemistry, yet remains challenging due to its combinatorial complexity. To address this, conventional approaches typically rely on hybrid frameworks that combine single-step…
Existing evolutionary algorithms for Constrained Multi-objective Optimization Problems (CMOPs) typically treat all constraints uniformly, overlooking their distinct geometric relationships with the true Constrained Pareto Front (CPF). In…
This paper presents an efficient algorithm, naming Centralized Searching and Decentralized Optimization (CSDO), to find feasible solution for large-scale Multi-Vehicle Trajectory Planning (MVTP) problem. Due to the intractable growth of…
Undoing operations is an indispensable feature for many collaborative applications, mainly collaborative editors. It provides the ability to restore a correct state of shared data after erroneous operations. In particular, selective undo…
Density-based mode-seeking methods generate a \emph{density-ascending dependency} from low-density points towards higher-density neighbors. Current mode-seeking methods identify modes by breaking some dependency connections, but relying…
Searching for bindings of geometric parameters in task and motion planning (TAMP) is a finite-horizon stochastic planning problem with high-dimensional decision spaces. A robot manipulator can only move in a subspace of its whole range that…
Synthesis planning seeks an efficient sequence of chemical reactions that produce a target molecule. Typically, a pretrained single-step (autoregressive) retrosynthesis model is repeatedly invoked to generate such a sequence. Classifier…
Current methods for solving Stochastic Shortest Path Problems (SSPs) find states' costs-to-go by applying Bellman backups, where state-of-the-art methods employ heuristics to select states to back up and prune. A fundamental limitation of…
Multi-Agent Path Finding (MAPF) is the problem of finding collision-free paths for multiple agents from their start locations to end locations. We consider an extension to this problem, Precedence Constrained Multi-Agent Path Finding…
Path planning is one of the most vital elements of mobile robotics, providing the agent with a collision-free route through the workspace. The global path plan can be calculated with a variety of informed search algorithms, most notably the…
Retrosynthetic planning aims to devise a complete multi-step synthetic route from starting materials to a target molecule. Current strategies use a decoupled approach of single-step retrosynthesis models and search algorithms, taking only…
Path planning is one of the most vital elements of mobile robotics. With a priori knowledge of the environment, global path planning provides a collision-free route through the workspace. The global path plan can be calculated with a…
Retrosynthesis planning aims to decompose target molecules into available building blocks, forming a synthetic tree where each internal node represents an intermediate compound and each leaf ideally corresponds to a purchasable reactant.…
This work addresses a Multi-Objective Shortest Path Problem (MO-SPP) on a graph where the goal is to find a set of Pareto-optimal solutions from a start node to a destination in the graph. A family of approaches based on MOA* have been…
The Constrained Markov Decision Process (CMDP) formulation allows to solve safety-critical decision making tasks that are subject to constraints. While CMDPs have been extensively studied in the Reinforcement Learning literature, little…
Cost-guided bottom-up search (BUS) algorithms use a cost function to guide the search to solve program synthesis tasks. In this paper, we show that current state-of-the-art cost-guided BUS algorithms suffer from a common problem: they can…
Predicting reactants from a specified core product stands as a fundamental challenge within organic synthesis, termed retrosynthesis prediction. Recently, semi-template-based methods and graph-edits-based methods have achieved good…
Syntax-guided synthesis is a paradigm in program synthesis in which the search space of candidate solutions is constrained by a syntactic template in the form of a grammar. These syntactic constraints serve two purposes: constraining the…
Retrosynthesis is a technique to plan the chemical synthesis of organic molecules, for example drugs, agro- and fine chemicals. In retrosynthesis, a search tree is built by analysing molecules recursively and dissecting them into simpler…
Computational exploration of the compositional spaces of materials can provide guidance for synthetic research and thus accelerate the discovery of novel materials. Most approaches employ high-throughput sampling and focus on reducing the…