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Offline goal-conditioned reinforcement learning (GCRL) is a promising approach for pretraining generalist policies on large datasets of reward-free trajectories, akin to the self-supervised objectives used to train foundation models for…

Machine Learning · Computer Science 2026-01-05 John L. Zhou , Jonathan C. Kao

The generation of drug-like molecules is crucial for drug design. Existing reinforcement learning (RL) methods often overlook structural information. However, feature engineering-based methods usually merely focus on binding affinity…

Machine Learning · Computer Science 2024-11-25 Xiangyu Zhang

Graphs serve as versatile data structures in numerous real-world domains-including social networks, molecular biology, and knowledge graphs-by capturing intricate relational information among entities. Among graph-based learning techniques,…

Machine Learning · Computer Science 2025-05-21 Chou-Ying Hsieh , Chun-Fu Jang , Cheng-En Hsieh , Qian-Hui Chen , Sy-Yen Kuo

Building autonomous machines that can explore open-ended environments, discover possible interactions and build repertoires of skills is a general objective of artificial intelligence. Developmental approaches argue that this can only be…

Machine Learning · Computer Science 2026-01-30 Cédric Colas , Tristan Karch , Olivier Sigaud , Pierre-Yves Oudeyer

Finding optimal bidding strategies for generation units in electricity markets would result in higher profit. However, it is a challenging problem due to the system uncertainty which is due to the unknown other generation units' strategies.…

Artificial Intelligence · Computer Science 2022-08-15 Pegah Rokhforoz , Olga Fink

Subgraph matching is a fundamental problem in various fields that use graph structured data. Subgraph matching algorithms enumerate all isomorphic embeddings of a query graph q in a data graph G. An important branch of matching algorithms…

Machine Learning · Computer Science 2022-04-01 Hanchen Wang , Ying Zhang , Lu Qin , Wei Wang , Wenjie Zhang , Xuemin Lin

Link prediction on graphs is a fundamental problem. Subgraph representation learning approaches (SGRLs), by transforming link prediction to graph classification on the subgraphs around the links, have achieved state-of-the-art performance…

Machine Learning · Computer Science 2024-10-21 Paul Louis , Shweta Ann Jacob , Amirali Salehi-Abari

Tensor graph superoptimisation systems perform a sequence of subgraph substitution to neural networks, to find the optimal computation graph structure. Such a graph transformation process naturally falls into the framework of sequential…

Machine Learning · Computer Science 2023-05-01 Guoliang He , Sean Parker , Eiko Yoneki

Goal-conditioned reinforcement learning (RL) is a promising direction for training agents that are capable of solving multiple tasks and reach a diverse set of objectives. How to \textit{specify} and \textit{ground} these goals in such a…

Self-supervised graph representation learning (SSGRL) is a representation learning paradigm used to reduce or avoid manual labeling. An essential part of SSGRL is graph data augmentation. Existing methods usually rely on heuristics commonly…

Machine Learning · Computer Science 2024-12-25 Ahmed E. Samy , Zekarias T. Kefatoa , Sarunas Girdzijauskasa

We study the problem of learning optimal behavior from sub-optimal datasets for goal-conditioned offline reinforcement learning under sparse rewards, invertible actions and deterministic transitions. To mitigate the effects of…

Machine Learning · Computer Science 2026-02-12 Alfredo Reichlin , Miguel Vasco , Hang Yin , Danica Kragic

We consider the problem of image representation for the tasks of unsupervised learning and semi-supervised learning. In those learning tasks, the raw image vectors may not provide enough representation for their intrinsic structures due to…

Machine Learning · Computer Science 2014-02-20 Yiyi Liao , Yue Wang , Yong Liu

Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been widely studied in a range of fields, including machine…

Graph Representation Learning (GRL) is a fundamental task in machine learning, aiming to encode high-dimensional graph-structured data into low-dimensional vectors. Self-Supervised Learning (SSL) methods are widely used in GRL because they…

Machine Learning · Computer Science 2025-06-13 Shifeng Xie , Aref Einizade , Jhony H. Giraldo

Attempting to fully exploit the rich information of topological structure and node features for attributed graph, we introduce self-supervised learning mechanism to graph representation learning and propose a novel Self-supervised Consensus…

Social and Information Networks · Computer Science 2021-08-12 Changshu Liu , Liangjian Wen , Zhao Kang , Guangchun Luo , Ling Tian

Hierarchical Reinforcement Learning (HRL) is well-suitedd for solving complex tasks by breaking them down into structured policies. However, HRL agents often struggle with efficient exploration and quick adaptation. To overcome these…

Machine Learning · Computer Science 2025-03-18 Arash Khajooeinejad , Fatemeh Sadat Masoumi , Masoumeh Chapariniya

Unsupervised graph representation learning is a non-trivial topic. The success of contrastive methods in the unsupervised representation learning on structured data inspires similar attempts on the graph. Existing graph contrastive learning…

Machine Learning · Computer Science 2024-04-02 Tianyu Zhang , Yuxiang Ren , Wenzheng Feng , Weitao Du , Xuecang Zhang

Graph-structured data is integral to many applications, prompting the development of various graph representation methods. Graph autoencoders (GAEs), in particular, reconstruct graph structures from node embeddings. Current GAE models…

Machine Learning · Computer Science 2024-10-07 Shijin Duan , Ruyi Ding , Jiaxing He , Aidong Adam Ding , Yunsi Fei , Xiaolin Xu

Despite recent success of deep network-based Reinforcement Learning (RL), it remains elusive to achieve human-level efficiency in learning novel tasks. While previous efforts attempt to address this challenge using meta-learning strategies,…

Machine Learning · Computer Science 2022-05-03 Haozhe Wang , Jiale Zhou , Xuming He

Learning node representations that incorporate information from graph structure benefits wide range of tasks on graph. The majority of existing graph neural networks (GNNs) have limited power in capturing position information for a given…

Machine Learning · Computer Science 2021-06-15 Yuheng Lu , Jinpeng Chen , ChuXiong Sun , Jie Hu