In the astronomical observation field, determining the allocation of observation resources of the telescope array and planning follow-up observations for targets of opportunity (ToOs) are indispensable components of astronomical scientific discovery. This problem is computationally challenging, given the online observation setting and the abundance of time-varying factors that can affect whether an observation can be conducted. This paper presents ROARS, a reinforcement learning approach for online astronomical resource-constrained scheduling. To capture the structure of the astronomical observation scheduling, we depict every schedule using a directed acyclic graph (DAG), illustrating the dependency of timing between different observation tasks within the schedule. Deep reinforcement learning is used to learn a policy that can improve the feasible solution by iteratively local rewriting until convergence. It can solve the challenge of obtaining a complete solution directly from scratch in astronomical observation scenarios, due to the high computational complexity resulting from numerous spatial and temporal constraints. A simulation environment is developed based on real-world scenarios for experiments, to evaluate the effectiveness of our proposed scheduling approach. The experimental results show that ROARS surpasses 5 popular heuristics, adapts to various observation scenarios and learns effective strategies with hindsight.
Molecular optimization, which aims to discover improved molecules from a vast chemical search space, is a critical step in chemical development. Various artificial intelligence technologies have demonstrated high effectiveness and efficiency on molecular optimization tasks. However, few of these technologies focus on balancing property optimization with constraint satisfaction, making it difficult to obtain high-quality molecules that not only possess desirable properties but also meet various constraints. To address this issue, we propose a constrained multi-property molecular optimization framework (CMOMO), which is a flexible and efficient method to simultaneously optimize multiple molecular properties while satisfying several drug-like constraints. CMOMO improves multiple properties of molecules with constraints based on dynamic cooperative optimization, which dynamically handles the constraints across various scenarios. Besides, CMOMO evaluates multiple properties within discrete chemical spaces cooperatively with the evolution of molecules within an implicit molecular space to guide the evolutionary search. Experimental results show the superior performance of the proposed CMOMO over five state-of-the-art molecular optimization methods on two benchmark tasks of simultaneously optimizing multiple non-biological activity properties while satisfying two structural constraints. Furthermore, the practical applicability of CMOMO is verified on two practical tasks, where it identified a collection of candidate ligands of $β$2-adrenoceptor GPCR and candidate inhibitors of glycogen synthase kinase-3$β$ with high properties and under drug-like constraints.
In this paper, we introduce the Variational Autoencoder (VAE) to an end-to-end speech synthesis model, to learn the latent representation of speaking styles in an unsupervised manner. The style representation learned through VAE shows good properties such as disentangling, scaling, and combination, which makes it easy for style control. Style transfer can be achieved in this framework by first inferring style representation through the recognition network of VAE, then feeding it into TTS network to guide the style in synthesizing speech. To avoid Kullback-Leibler (KL) divergence collapse in training, several techniques are adopted. Finally, the proposed model shows good performance of style control and outperforms Global Style Token (GST) model in ABX preference tests on style transfer.