相关论文: Generating readily synthesizable small molecule fl…

Sampling useful three-dimensional molecular structures along with their most favorable conformations is a key challenge in drug discovery. Current state-of-the-art 3D de-novo design flow matching or diffusion-based models are limited to…

We propose Flow-GRPO, the first method to integrate online policy gradient reinforcement learning (RL) into flow matching models. Our approach uses two key strategies: (1) an ODE-to-SDE conversion that transforms a deterministic Ordinary…

This paper introduces a novel continual learning framework for synthesising novel views of multiple scenes, learning multiple 3D scenes incrementally, and updating the network parameters only with the training data of the upcoming new…

Foundation models contain a wealth of information from their vast number of training samples. However, most prior arts fail to extract this information in a precise and efficient way for small sample sizes. In this work, we propose a…

Federated representation learning (FRL) is a popular personalized federated learning (FL) framework where clients work together to train a common representation while retaining their personalized heads. Existing studies, however, largely…

This study proposes a self-learning algorithm for closed-loop cylinder wake control targeting lower drag and lower lift fluctuations with the additional challenge of sparse sensor information, taking deep reinforcement learning as the…

This paper introduces a novel federated learning framework termed LoRa-FL designed for training low-rank one-shot image detection models deployed on edge devices. By incorporating low-rank adaptation techniques into one-shot detection…

Parameter-efficient fine-tuning enables fast personalization of text-to-image diffusion models, but composing multiple custom concepts remains challenging due to representation interference. Existing modular methods either rely on expensive…

Conventional generative models for materials discovery are predominantly trained and validated using data from Density Functional Theory (DFT) with approximate exchange-correlation functionals. This creates a fundamental bottleneck: these…

Reinforcement learning (RL) has become a central post-training tool for improving the reasoning abilities of large language models (LLMs). In these systems, the rollout, the trajectory sampled from a prompt to termination, including…

Building a search relevance model that achieves both low latency and high performance is a long-standing challenge in the search industry. To satisfy the millisecond-level response requirements of online systems while retaining the…

The combinations of artificial intelligence and lasers provide powerful ways to form smart light sources with ground-breaking functions. Here, a Raman fiber laser (RFL) with reconfigurable and programmable spectra in an ultra-wide bandwidth…

Diffusion and flow matching approaches to generative modeling have shown promise in domains where the state space is continuous, such as image generation or protein folding & design, and discrete, exemplified by diffusion large language…

We demonstrate a reinforcement learning (RL) based control framework for optimizing evaporative cooling in the preparation of strongly interacting degenerate Fermi gases of Li6. Using a Soft Actor-Critic (SAC) algorithm, the system…

Current generative models for drug discovery primarily use molecular docking as an oracle to guide the generation of active compounds. However, such models are often not useful in practice because even compounds with high docking scores do…

The computational cost of stiff chemical kinetics remains a dominant bottleneck in reacting-flow simulation, yet hybrid integration strategies are typically driven by hand-tuned heuristics or supervised predictors that make myopic decisions…

Synthesizability remains a critical bottleneck in generative molecular design. While recent advances have addressed synthesizability in 2D graphs, extending these constraints to 3D for geometry-based conditional generation remains largely…

Generating structured, editable diagrams remains a significant challenge for contemporary large language models, despite their proficiency in general-purpose vector code generation. The primary difficulty lies in the structural fragility of…

A major obstacle to the realization of novel inorganic materials with desirable properties is the inability to perform efficient optimization across both materials properties and synthesis of those materials. In this work, we propose a…

Accurate prediction of synthetic lethality (SL) is important for guiding the development of cancer drugs and therapies. SL prediction faces significant challenges in the effective fusion of heterogeneous multi-source data. Existing…