Related papers: Guiding Diffusion Models with Reinforcement Learni…

Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molecular docking, protein folding, and molecular design. Recent…

Diffusion distillation, exemplified by Distribution Matching Distillation (DMD), has shown great promise in few-step generation but often sacrifices quality for sampling speed. While integrating Reinforcement Learning (RL) into distillation…

Scalable Vector Graphics (SVG) offer a powerful format for representing visual designs as interpretable code. Recent advances in vision-language models (VLMs) have enabled high-quality SVG generation by framing the problem as a code…

The paradigm shift toward structure-driven molecule generation has been propelled by advances in deep generative models, such as variational auto-encoders and diffusion models. However, these generative models for molecular design remain…

We apply reinforcement learning (RL) to robotics tasks. One of the drawbacks of traditional RL algorithms has been their poor sample efficiency. One approach to improve the sample efficiency is model-based RL. In our model-based RL…

Protein inverse folding-that is, predicting an amino acid sequence that will fold into the desired 3D structure-is an important problem for structure-based protein design. Machine learning based methods for inverse folding typically use…

Diffusion models can be improved with additional guidance towards more effective representations of input. Indeed, prior empirical work has already shown that aligning internal representations of the diffusion model with those of…

Personalized text-to-image models allow users to generate varied styles of images (specified with a sentence) for an object (specified with a set of reference images). While remarkable results have been achieved using diffusion-based…

Deep reinforcement learning (RL) algorithms typically parameterize the policy as a deep network that outputs either a deterministic action or a stochastic one modeled as a Gaussian distribution, hence restricting learning to a single…

Stably placing an object in a multi-object scene is a fundamental challenge in robotic manipulation, as placements must be penetration-free, establish precise surface contact, and result in a force equilibrium. To assess stability, existing…

We introduce HyperDiffusionFields (HyDiF), a framework that models 3D molecular conformers as continuous fields rather than discrete atomic coordinates or graphs. At the core of our approach is the Molecular Directional Field (MDF), a…

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…

We study behavior-regularized reinforcement learning (RL), where regularization toward a reference distribution (the dataset in offline RL or the base model in LLM RL finetuning) is essential to prevent value over-optimization caused by…

Reinforcement Learning (RL) has recently been incorporated into diffusion models, e.g., tasks such as text-to-image. However, directly applying existing RL methods to diffusion-based image restoration models is suboptimal, as the objective…

We propose a reinforcement learning (RL) framework for the dynamic selection of the filter parameter in Evolve-Filter (EF) regularization strategies for incompressible turbulent flows. Instead of prescribing the filter radius heuristically,…

Distribution Matching Distillation (DMD) facilitates efficient inference by distilling multi-step diffusion models into few-step variants. Concurrently, Reinforcement Learning (RL) has emerged as a vital tool for aligning generative models…

Generating stable molecular conformations typically forces a tradeoff between the physical realism of energy-based relaxation and the sampling efficiency of data-driven generative models. While machine learning force fields (MLFFs) can…

Current mainstream methods of aligning diffusion models with human preferences typically employ VLM-based reward models. However, these reward models, pre-trained for semantic alignment, struggle to capture the essential perceptual…

The efficient exploration of chemical space remains a central challenge, as many generative models still produce unstable or non-synthesizable compounds. To address these limitations, we present EvoMol-RL, a significant extension of the…

Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…