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n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…

Retrieval-Augmented Generation (RAG) combines the language understanding and reasoning power of large language models (LLMs) with external retrieval to enable domain-grounded responses. Effectively adapting RAG systems to domain-specific…

Compared to traditional methods, Deep Learning (DL) becomes a key technology for computer vision tasks. Synthetic data generation is an interesting use case for DL, especially in the field of medical imaging such as Magnetic Resonance…

Large Language Models (LLMs) achieve strong performance across diverse tasks, but their effectiveness often depends on the quality of the provided context. Retrieval-Augmented Generation (RAG) enriches prompts with external information, but…

Despite the success of foundation models in language and vision, molecular graph generation still lacks a unified framework for heterogeneous design tasks with reliable controllability. While reinforcement learning (RL) offers a natural…

Deep generative models are attracting great attention as a new promising approach for molecular design. All models reported so far are based on either variational autoencoder (VAE) or generative adversarial network (GAN). Here we propose a…

Generative Adversarial Networks (GANs) have been widely used for generating photo-realistic images. A variant of GANs called super-resolution GAN (SRGAN) has already been used successfully for image super-resolution where low resolution…

Meta Reinforcement Learning (MRL) enables an agent to learn from a limited number of past trajectories and extrapolate to a new task. In this paper, we attempt to improve the robustness of MRL. We build upon model-agnostic meta-learning…

We propose a new deep learning approach for medical imaging that copes with the problem of a small training set, the main bottleneck of deep learning, and apply it for classification of healthy and cancer cells acquired by quantitative…

Retrieval-augmented Generation (RAG) has markedly enhanced the capabilities of Large Language Models (LLMs) in tackling knowledge-intensive tasks. The increasing demands of application scenarios have driven the evolution of RAG, leading to…

Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph…

Molecular discovery is increasingly framed as an inverse design problem: identifying molecular structures that satisfy desired property profiles under feasibility constraints. While recent generative models provide continuous latent…

Quantum computing offers exciting opportunities for simulating complex quantum systems and optimizing large scale combinatorial problems, but its practical use is limited by device noise and constrained connectivity. Designing quantum…

Deep neural networks have been applied in wireless communications system to intelligently adapt to dynamically changing channel conditions, while the users are still under the threat of the malicious attacks due to the broadcasting property…

We present ReCAD, a reinforcement learning (RL) framework that bootstraps pretrained large models (PLMs) to generate precise parametric computer-aided design (CAD) models from multimodal inputs by leveraging their inherent generative…

As deep learning is showing unprecedented success in medical image analysis tasks, the lack of sufficient medical data is emerging as a critical problem. While recent attempts to solve the limited data problem using Generative Adversarial…

Reinforcement learning (RL) has been widely used in training large language models (LLMs) for preventing unexpected outputs, eg reducing harmfulness and errors. However, existing RL methods mostly adopt the instance-level reward, which is…

Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery.…

Recent methods for generating novel molecules use graph representations of molecules and employ various forms of graph convolutional neural networks for inference. However, training requires solving an expensive graph isomorphism problem,…

Recent success in deep learning has generated immense interest among practitioners and students, inspiring many to learn about this new technology. While visual and interactive approaches have been successfully developed to help people more…