Related papers: Retrosynthetic Planning with Dual Value Networks

Identification of drug-target interactions (DTIs) plays a key role in drug discovery. The high cost and labor-intensive nature of in vitro and in vivo experiments have highlighted the importance of in silico-based DTI prediction approaches.…

We introduce a deep residual recurrent neural network (DR-RNN) as an efficient model reduction technique for nonlinear dynamical systems. The developed DR-RNN is inspired by the iterative steps of line search methods in finding the residual…

Materials process optimization requires reasoning over routes, conditions, tools and causal dependencies, yet most computational formulations flatten synthesis procedures into text or ordered steps. We introduce MatProcBench, a…

Deep Neural Networks (DNNs) are the key to the state-of-the-art machine vision, sensor fusion and audio/video signal processing. Unfortunately, their computation complexity and tight resource constraints on the Edge make them hard to…

While inorganic retrosynthesis planning is essential in the field of chemical science, the application of machine learning in this area has been notably less explored compared to organic retrosynthesis planning. In this paper, we propose…

Despite rapid advancements, current text-to-image (T2I) models predominantly rely on a single-step generation paradigm, which struggles with complex semantics and faces diminishing returns from parameter scaling. While recent multi-step…

With three complexes spread evenly across the Earth, NASA's Deep Space Network (DSN) is the primary means of communications as well as a significant scientific instrument for dozens of active missions around the world. A rapidly rising…

We study the dynamic pricing and replenishment problems under inconsistent decision frequencies. Different from the traditional demand assumption, the discreteness of demand and the parameter within the Poisson distribution as a function of…

In this paper, the problem of the trajectory design for a group of energy-constrained drones operating in dynamic wireless network environments is studied. In the considered model, a team of drone base stations (DBSs) is dispatched to…

Deep convolutional neural networks (CNNs) have been intensively used for multi-class segmentation of data from different modalities and achieved state-of-the-art performances. However, a common problem when dealing with large, high…

Besides accuracy, the model size of convolutional neural networks (CNN) models is another important factor considering limited hardware resources in practical applications. For example, employing deep neural networks on mobile systems…

Making accurate motion prediction of surrounding agents such as pedestrians and vehicles is a critical task when robots are trying to perform autonomous navigation tasks. Recent research on multi-modal trajectory prediction, including…

We train embodied neural networks to plan and navigate unseen complex 3D environments, emphasising real-world deployment. Rather than requiring prior knowledge of the agent or environment, the planner learns to model the state transitions…

Trajectory prediction is critical for autonomous driving, enabling safe and efficient planning in dense, dynamic traffic. Most existing methods optimize prediction accuracy under fixed-length observations. However, real-world driving often…

We consider a joint uplink and downlink scheduling problem of a fully distributed wireless networked control system (WNCS) with a limited number of frequency channels. Using elements of stochastic systems theory, we derive a sufficient…

Scheduling flexible sources to promote the integration of renewable generation is one fundamental problem for operating active distribution networks (ADNs). However, existing works are usually based on power flow models, which require…

The brain is a highly reconfigurable machine capable of task-specific adaptations. The brain continually rewires itself for a more optimal configuration to solve problems. We propose a novel strategic synthesis algorithm for feedforward…

The prediction of stock price movement direction is significant in financial circles and academic. Stock price contains complex, incomplete, and fuzzy information which makes it an extremely difficult task to predict its development trend.…

The use of artificial intelligence in supply chain forecasting has attracted many scientific studies for several decades. However, the process of selecting an appropriate forecasting solution becomes a daunting task. This complexity arises…

In this work, we present some applications of random matrix theory for the training of deep neural networks. Recently, random matrix theory (RMT) has been applied to the overfitting problem in deep learning. Specifically, it has been shown…