DrugLLM: Open Large Language Model for Few-shot Molecule Generation

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the languages in biology and chemistry. For example, they are struggling to capture the relationship between molecule structure and pharmacochemical properties. Consequently, the few-shot learning capacity of small-molecule drug modification remains impeded. In this work, we introduced DrugLLM, a LLM tailored for drug design. During the training process, we employed Group-based Molecular Representation (GMR) to represent molecules, arranging them in sequences that reflect modifications aimed at enhancing specific molecular properties. DrugLLM learns how to modify molecules in drug discovery by predicting the next molecule based on past modifications. Extensive computational experiments demonstrate that DrugLLM can generate new molecules with expected properties based on limited examples, presenting a powerful few-shot molecule generation capacity.

Neural Implicit Field Editing Considering Object-environment Interaction

The 3D scene editing method based on neural implicit field has gained wide attention. It has achieved excellent results in 3D editing tasks. However, existing methods often blend the interaction between objects and scene environment. The change of scene appearance like shadows is failed to be displayed in the rendering view. In this paper, we propose an Object and Scene environment Interaction aware (OSI-aware) system, which is a novel two-stream neural rendering system considering object and scene environment interaction. To obtain illuminating conditions from the mixture soup, the system successfully separates the interaction between objects and scene environment by intrinsic decomposition method. To study the corresponding changes to the scene appearance from object-level editing tasks, we introduce a depth map guided scene inpainting method and shadow rendering method by point matching strategy. Extensive experiments demonstrate that our novel pipeline produce reasonable appearance changes in scene editing tasks. It also achieve competitive performance for the rendering quality in novel-view synthesis tasks.

Identification of diffracted vortex beams at different propagation distances using deep learning

Orbital angular momentum of light is regarded as a valuable resource in quantum technology, especially in quantum communication and quantum sensing and ranging. However, the OAM state of light is susceptible to undesirable experimental conditions such as propagation distance and phase distortions, which hinders the potential for the realistic implementation of relevant technologies. In this article, we exploit an enhanced deep learning neural network to identify different OAM modes of light at multiple propagation distances with phase distortions. Specifically, our trained deep learning neural network can efficiently identify the vortex beam's topological charge and propagation distance with 97% accuracy. Our technique has important implications for OAM based communication and sensing protocols.