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In lifelong learning, an agent learns throughout its entire life without resets, in a constantly changing environment, as we humans do. Consequently, lifelong learning comes with a plethora of research problems such as continual domain…

Sensor drift is a long-existing unpredictable problem that deteriorates the performance of gaseous substance recognition, calling for an antidrift domain adaptation algorithm. However, the prerequisite for traditional methods to achieve…

Generative Flow Networks (GFlowNets), a class of generative models over discrete and structured sample spaces, have been previously applied to the problem of inferring the marginal posterior distribution over the directed acyclic graph…

GFlowNets are probabilistic models that sequentially generate compositional structures through a stochastic policy. Among GFlowNets, temperature-conditional GFlowNets can introduce temperature-based controllability for exploration and…

Training deep neural networks remains computationally intensive due to the itera2 tive nature of gradient-based optimization. We propose Gradient Flow Matching (GFM), a continuous-time modeling framework that treats neural network training…

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…

Searching the vast chemical space for drug-like molecules that bind with a protein pocket is a challenging task in drug discovery. Recently, structure-based generative models have been introduced which promise to be more efficient by…

Drug-drug interactions pose a significant challenge in clinical pharmacology, with severe class imbalance among interaction types limiting the effectiveness of predictive models. Common interactions dominate datasets, while rare but…

This paper studies generative flow networks (GFlowNets) to sample objects from the Boltzmann energy distribution via a sequence of actions. In particular, we focus on improving GFlowNet with partial inference: training flow functions with…

Personalized recommender systems fulfill the daily demands of customers and boost online businesses. The goal is to learn a policy that can generate a list of items that matches the user's demand or interest. While most existing methods…

Recent advances have shown that video generation models can enhance robot learning by deriving effective robot actions through inverse dynamics. However, these methods heavily depend on the quality of generated data and struggle with…

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational…

The advancement in autonomous vehicles has empowered navigation and exploration in unknown environments. Geomagnetic navigation for autonomous vehicles has drawn increasing attention with its independence from GPS or inertial navigation…

Chemical space exploration underlies drug discovery, yet most generative models treat chemical space as a fixed, implicitly learned distribution, focusing on sampling molecules rather than deliberately designing the space itself. We…

Graph Neural Networks (GNNs) are proficient in graph representation learning and achieve promising performance on versatile tasks such as node classification and link prediction. Usually, a comprehensive hyperparameter tuning is essential…

Training-free guidance enables pre-trained diffusion and flow models to optimize application-specific objectives using feedback from external black-box reward functions. However, existing methods are feedback-inefficient because reward…

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…

Generalizing policies across different domains with dynamics mismatch poses a significant challenge in reinforcement learning. For example, a robot learns the policy in a simulator, but when it is deployed in the real world, the dynamics of…

While generative modeling has achieved remarkable success on tasks like natural language-conditioned image generation, enabling model adaptation from example data points remains a relatively underexplored and challenging problem. To this…

Sampling from discrete distributions with multiple modes and energy barriers is fundamental to machine learning and computational physics. Recent discrete neural samplers like MDNS suffer from mode collapse and fail to sample high-energy…