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While one commonly trains large diffusion models by collecting datasets on target downstream tasks, it is often desired to align and finetune pretrained diffusion models with some reward functions that are either designed by experts or…

Machine Learning · Computer Science 2025-05-20 Zhen Liu , Tim Z. Xiao , Weiyang Liu , Yoshua Bengio , Dinghuai Zhang

The challenge of discovering new molecules with desired properties is crucial in domains like drug discovery and material design. Recent advances in deep learning-based generative methods have shown promise but face the issue of sample…

Biomolecules · Quantitative Biology 2024-12-31 Hyeonah Kim , Minsu Kim , Sanghyeok Choi , Jinkyoo Park

Federated graph learning (FGL) enables collaborative training of graph neural networks (GNNs) across decentralized subgraphs without exposing raw data. While existing FGL methods often achieve high overall accuracy, we show that this…

Machine Learning · Computer Science 2026-01-26 Zekai Chen , Kairui Yang , Xunkai Li , Henan Sun , Zhihan Zhang , Jia Li , Qiangqiang Dai , Rong-Hua Li , Guoren Wang

Generative Flow Networks for continuous scenarios (CFlowNets) have shown promise in solving sequential decision-making tasks by learning stochastic policies using a flow and a retrieval network. Despite their demonstrated efficiency…

Machine Learning · Computer Science 2026-03-19 Zahin Sufiyan , Shadan Golestan , Yoshihiro Mitsuka , Shotaro Miwa , Osmar Zaiane

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,…

Quantum Physics · Physics 2026-03-05 Inhoe Koo , Hyunho Cha , Jungwoo Lee

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…

Multimedia · Computer Science 2025-08-26 Yili Jin , Ling Pan , Rui-Xiao Zhang , Jiangchuan Liu , Xue Liu

The Graph Neural Network (GNN) has been widely used for graph data representation. However, the existing researches only consider the ideal balanced dataset, and the imbalanced dataset is rarely considered. Traditional methods such as…

Machine Learning · Computer Science 2022-05-10 S. Shi , Kai Qiao , Shuai Yang , L. Wang , J. Chen , Bin Yan

By chaining a sequence of differentiable invertible transformations, normalizing flows (NF) provide an expressive method of posterior approximation, exact density evaluation, and sampling. The trend in normalizing flow literature has been…

Machine Learning · Computer Science 2020-10-20 Robert Giaquinto , Arindam Banerjee

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…

Machine Learning · Computer Science 2023-10-06 Hyosoon Jang , Minsu Kim , Sungsoo Ahn

A novel gradient boosting framework is proposed where shallow neural networks are employed as ``weak learners''. General loss functions are considered under this unified framework with specific examples presented for classification,…

Machine Learning · Computer Science 2020-06-16 Sarkhan Badirli , Xuanqing Liu , Zhengming Xing , Avradeep Bhowmik , Khoa Doan , Sathiya S. Keerthi

GFlowNets have exhibited promising performance in generating diverse candidates with high rewards. These networks generate objects incrementally and aim to learn a policy that assigns probability of sampling objects in proportion to…

Machine Learning · Computer Science 2024-06-11 George Ma , Emmanuel Bengio , Yoshua Bengio , Dinghuai Zhang

Multi-task reinforcement learning and meta-reinforcement learning have been developed to quickly adapt to new tasks, but they tend to focus on tasks with higher rewards and more frequent occurrences, leading to poor performance on tasks…

Machine Learning · Computer Science 2023-06-19 Xinyuan Ji , Xu Zhang , Wei Xi , Haozhi Wang , Olga Gadyatskaya , Yinchuan Li

GFlowNets are a promising alternative to MCMC sampling for discrete compositional random variables. Training GFlowNets requires repeated evaluations of the unnormalized target distribution or reward function. However, for large-scale…

Machine Learning · Computer Science 2024-06-06 Tiago da Silva , Luiz Max Carvalho , Amauri Souza , Samuel Kaski , Diego Mesquita

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic…

Machine Learning · Computer Science 2024-03-12 Dinghuai Zhang , Ricky T. Q. Chen , Cheng-Hao Liu , Aaron Courville , Yoshua Bengio

Mathematical reasoning problems are among the most challenging, as they typically require an understanding of fundamental laws to solve. The laws are universal, but the derivation of the final answer changes depending on how a problem is…

Machine Learning · Computer Science 2024-10-29 Ryoichi Takase , Masaya Tsunokake , Yuta Tsuchiya , Shota Inuzuka

In our prior work we have proposed the use of GFlowNets, a generative AI (GenAI) framework, for designing a secure communication system comprising a time-modulated intelligent reflecting surface (TM-IRS). However, GFlowNet-based approaches…

Signal Processing · Electrical Eng. & Systems 2025-11-11 Zhihao Tao , Athina P. Petropulu

Standard autoregressive language models generate text token-by-token from a fixed vocabulary, inducing a tree-structured state space when viewing token sampling as an action, which limits flexibility and expressiveness. Recent work…

Artificial Intelligence · Computer Science 2026-02-12 Bo Xue , Yunchong Song , Fanghao Shao , Xuekai Zhu , Lin Chen , Luoyi Fu , Xinbing Wang , Zhouhan Lin

While Markov chain Monte Carlo methods (MCMC) provide a general framework to sample from a probability distribution defined up to normalization, they often suffer from slow convergence to the target distribution when the latter is highly…

Machine Learning · Computer Science 2023-07-06 Tristan Deleu , Yoshua Bengio

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a…

Machine Learning · Computer Science 2023-05-05 Seyedsaman Emami , Gonzalo Martínez-Muñoz

Many applications in computational and experimental fluid mechanics require effective methods for reconstructing the flow fields from limited sensor data. However, this task remains a significant challenge because the measurement operator,…

Fluid Dynamics · Physics 2024-11-22 Phong C. H. Nguyen , Joseph B. Choi , Quang-Trung Luu