We now report the implementation details for the reproducibility of our method.

Normalizing flow is a class of deep generative models for efficient sampling and likelihood estimation, which achieves attractive performance, particularly in high dimensions. The flow is often implemented using a sequence of invertible residual blocks. Existing works adopt special network architectures and regularization of flow trajectories. In this paper, we develop a neural ODE flow network called JKO-iFlow, inspired by the Jordan-Kinderleherer-Otto (JKO) scheme, which unfolds the discrete-time dynamic of the Wasserstein gradient flow. The proposed method stacks residual blocks one after another, allowing efficient block-wise training of the residual blocks, avoiding sampling SDE trajectories and score matching or variational learning, thus reducing the memory load and difficulty in end-to-end training. We also develop adaptive time reparameterization of the flow network with a progressive refinement of the induced trajectory in probability space to improve the model accuracy further. Experiments with synthetic and real data show that the proposed JKO-iFlow network achieves competitive performance compared with existing flow and diffusion models at a significantly reduced computational and memory cost.

Whereas diverse variations of diffusion models exist, extending the linear diffusion into a nonlinear diffusion process is investigated by very few works. The nonlinearity effect has been hardly understood, but intuitively, there would be promising diffusion patterns to efficiently train the generative distribution towards the data distribution. This paper introduces a data-adaptive nonlinear diffusion process for score-based diffusion models. The proposed Implicit Nonlinear Diffusion Model (INDM) learns by combining a normalizing flow and a diffusion process.

This paper is about the problem of learning a stochastic policy for generating an object (like a molecular graph) from a sequence of actions, such that the probability of generating an object is proportional to a given positive reward for that object. Whereas standard return maximization tends to converge to a single return-maximizing sequence, there are cases where we would like to sample a diverse set of high-return solutions. These arise, for example, in black-box function optimization when few rounds are possible, each with large batches of queries, where the batches should be diverse, e.g., in the design of new molecules. One can also see this as a problem of approximately converting an energy function to a generative distribution. While MCMC methods can achieve that, they are expensive and generally only perform local exploration.

Collision-free path planning is the most crucial component in multi-UAV formation-flying (MFF). We use unlabeled homogenous quadcopters (UAVs) to demonstrate the use of a flow network to create complete (inter-UAV) collision-free paths. This procedure has three main parts: 1) Creating a flow network graph from physical GPS coordinates, 2) Finding a path of minimum cost (least distance) using any graph-based path-finding algorithm, and 3) Implementing the Ford-Fulkerson Method to find the paths with the maximum flow (no collision). Simulations of up to 64 UAVs were conducted for various formations, followed by a practical experiment with 3 quadcopters for testing physical plausibility and feasibility. The results of these tests show the efficacy of this method's ability to produce safe, collision-free paths.

Generative flow networks are able to sample, via sequential construction, high-reward, complex objects according to a reward function. However, such reward functions are often estimated approximately from noisy data, leading to epistemic uncertainty in the learnt policy. We present an approach to quantify this uncertainty by constructing a surrogate model composed of a polynomial chaos expansion, fit on a small ensemble of trained flow networks. This model learns the relationship between reward functions, parametrised in a low-dimensional space, and the probability distributions over actions at each step along a trajectory of the flow network. The surrogate model can then be used for inexpensive Monte Carlo sampling to estimate the uncertainty in the policy given uncertain rewards. We illustrate the performance of our approach on a discrete and continuous grid-world, symbolic regression, and a Bayesian structure learning task.

Generative Flow Networks (GFlowNets) are effective at sampling diverse, high-reward objects, but in many real-world settings where new reward queries are infeasible, they must be trained from offline datasets. The prevailing proxy-based training methods are susceptible to error propagation, while existing proxy-free approaches often use coarse constraints that limit exploration. To address these issues, we propose Trajectory-Distilled GFlowNet (TD-GFN), a novel proxy-free training framework. TD-GFN learns dense, transition-level edge rewards from offline trajectories via inverse reinforcement learning to provide rich structural guidance for efficient exploration. Crucially, to ensure robustness, these rewards are used indirectly to guide the policy through DAG pruning and prioritized backward sampling of training trajectories. This ensures that final gradient updates depend only on ground-truth terminal rewards from the dataset, thereby preventing the error propagation. Experiments show that TD-GFN significantly outperforms a broad range of existing baselines in both convergence speed and final sample quality, establishing a more robust and efficient paradigm for offline GFlowNet training.

Generative flow networks utilize a flow-matching loss to learn a stochastic policy for generating objects from a sequence of actions, such that the probability of generating a pattern can be proportional to the corresponding given reward. However, a theoretical framework for multi-agent generative flow networks (MA-GFlowNets) has not yet been proposed. In this paper, we propose the theory framework of MA-GFlowNets, which can be applied to multiple agents to generate objects collaboratively through a series of joint actions. We further propose four algorithms: a centralized flow network for centralized training of MA-GFlowNets, an independent flow network for decentralized execution, a joint flow network for achieving centralized training with decentralized execution, and its updated conditional version. Joint Flow training is based on a local-global principle allowing to train a collection of (local) GFN as a unique (global) GFN. This principle provides a loss of reasonable complexity and allows to leverage usual results on GFN to provide theoretical guarantees that the independent policies generate samples with probability proportional to the reward function. Experimental results demonstrate the superiority of the proposed framework compared to reinforcement learning and MCMC-based methods.