Related papers: Tango*: Constrained synthesis planning using chemi…
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.…
Retrosynthesis strategically plans the synthesis of a chemical target compound from simpler, readily available precursor compounds. This process is critical for synthesizing novel inorganic materials, yet traditional methods in inorganic…
Computer-assisted synthesis planning aims to help chemists find better reaction pathways faster. Finding viable and short pathways from sugar molecules to value-added chemicals can be modeled as a retrosynthesis planning problem with a…
Retrosynthesis, the process of deconstructing a target molecule into simpler precursors, is crucial for computer-aided synthesis planning (CASP). Widely adopted tree-search methods often suffer from exponential computational complexity. In…
Retrosynthesis is the task of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found. Consequently, the goal is to provide a valid synthesis route for a…
Molecular retrosynthesis is a significant and complex problem in the field of chemistry, however, traditional manual synthesis methods not only need well-trained experts but also are time-consuming. With the development of big data and…
Time-Dependent Constrained Path Optimization (TD-CPO) takes the following input: (i) time-dependent (TD) road network, (ii) source ($s$), (iii) destination ($d$), (iv) departure time ($t$) and, (v) budget ($\mathcal{B}$). In TD graph, each…
In this paper, we propose an effective search procedure that interleaves two steps: subproblem generation and subproblem solution. We mainly focus on the first part. It consists of a variable domain value ranking based on reduced costs.…
Footstep planning involves a challenging combinatorial search. Traditional A* approaches require discretising reachability constraints, while Mixed-Integer Programming (MIP) supports continuous formulations but quickly becomes intractable,…
Synthesis planning is the process of recursively decomposing target molecules into available precursors. Computer-aided retrosynthesis can potentially assist chemists in designing synthetic routes, but at present it is cumbersome and…
Design of cyber-physical systems (CPSs) is a challenging task that involves searching over a large search space of various CPS configurations and possible values of components composing the system. Hence, there is a need for…
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…
We introduce Plan*RAG, a novel framework that enables structured multi-hop reasoning in retrieval-augmented generation (RAG) through test-time reasoning plan generation. While existing approaches such as ReAct maintain reasoning chains…
We present TANGO (Tensor ANd Graph Optimization), a novel motion planning framework that integrates tensor-based compression with structured graph optimization to enable efficient and scalable trajectory generation. While optimization-based…
Constrained Stochastic Shortest Path Problems (CSSPs) model problems with probabilistic effects, where a primary cost is minimised subject to constraints over secondary costs, e.g., minimise time subject to monetary budget. Current…
Retrosynthesis consists of breaking down a chemical compound recursively step-by-step into molecular precursors until a set of commercially available molecules is found with the goal to provide a synthesis route. Its two primary research…
This paper investigates Path planning Among Movable Obstacles (PAMO), which seeks a minimum cost collision-free path among static obstacles from start to goal while allowing the robot to push away movable obstacles (i.e., objects) along its…
Synthesizing user-intended programs from a small number of input-output examples is a challenging problem with several important applications like spreadsheet manipulation, data wrangling and code refactoring. Existing synthesis systems…
Constrained Optimum Path (COP) problems appear in many real-life applications, especially on communication networks. Some of these problems have been considered and solved by specific techniques which are usually difficult to extend. In…
With the growing demand for massive data analysis, many DBMSs have adopted complex underlying query execution mechanisms, including vectorized operators, parallel execution, and dynamic pipeline modifications. However, there remains a lack…