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Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…

Flow-based policies have recently emerged as a powerful tool in offline and offline-to-online reinforcement learning, capable of modeling the complex, multimodal behaviors found in pre-collected datasets. However, the full potential of…

Generative Flow Networks (GFlowNets) are recently proposed models for learning stochastic policies that generate compositional objects by sequences of actions with the probability proportional to a given reward function. The central problem…

Unitary Synthesis, the decomposition of a unitary matrix into a sequence of quantum gates, is a fundamental challenge in quantum compilation. Prevailing reinforcement learning (RL) approaches are often hampered by sparse reward signals,…

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

Multimedia systems underpin modern digital interactions, facilitating seamless integration and optimization of resources across diverse multimedia applications. To meet growing personalization demands, multimedia systems must efficiently…

Diffusion and flow matching policies offer expressive, multimodal action modeling, yet they are frequently unstable in online reinforcement learning (RL) due to intractable likelihoods and gradients propagating through long sampling chains.…

Robots can acquire complex manipulation skills by learning policies from expert demonstrations, which is often known as vision-based imitation learning. Generating policies based on diffusion and flow matching models has been shown to be…

Likelihood-based policy gradient methods are the dominant approach for training robot control policies from rewards. These methods rely on differentiable action likelihoods, which constrain policy outputs to simple distributions like…

Counterfactual explanations (CFs) provide human-interpretable insights into model's predictions by identifying minimal changes to input features that would alter the model's output. However, existing methods struggle to generate multiple…

Flow-based generative models, including diffusion models, excel at modeling continuous distributions in high-dimensional spaces. In this work, we introduce Flow Policy Optimization (FPO), a simple on-policy reinforcement learning algorithm…

Generative policies based on diffusion models and flow matching have shown strong promise for offline reinforcement learning (RL), but their applicability remains largely confined to continuous action spaces. To address a broader range of…

Recent advances in diffusion$/$flow-matching policies have enabled imitation learning of complex, multi-modal action trajectories. However, they are computationally expensive because they sample a trajectory of trajectories: a…

Generative Flow Networks, or GFlowNets, offer a promising framework for molecular design, but their internal decision policies remain opaque. This limits adoption in drug discovery, where chemists require clear and interpretable rationales…

Generative Flow Networks (GFlowNets) have demonstrated significant performance improvements for generating diverse discrete objects $x$ given a reward function $R(x)$, indicating the utility of the object and trained independently from the…

Generative policies based on expressive model classes, such as diffusion and flow matching, are well-suited to complex control problems with highly multimodal action distributions. Their expressivity, however, comes at a significant…

Generative modeling has recently shown remarkable promise for visuomotor policy learning, enabling flexible and expressive control across diverse embodied AI tasks. However, existing generative policies often struggle with data…

Reinforcement Learning (RL) algorithms aim to learn an optimal policy by iteratively sampling actions to learn how to maximize the total expected return, $R(x)$. GFlowNets are a special class of algorithms designed to generate diverse…

Training expressive flow-based policies with off-policy reinforcement learning is notoriously unstable due to gradient pathologies in the multi-step action sampling process. We trace this instability to a fundamental connection: the flow…

Generative Flow Networks (GFlowNets), a class of generative models have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from unnormalized reward distributions. Previous works…