In Reinforcement Learning (RL), agents aim at maximizing cumulative rewards in a given environment. During the learning process, RL agents face the dilemma of exploitation and exploration: leveraging existing knowledge to acquire rewards or seeking potentially higher ones. Using uncertainty as a guiding principle provides an active and effective approach to solving this dilemma and ensemble-based methods are one of the prominent avenues for quantifying uncertainty. Nevertheless, conventional ensemble-based uncertainty estimation lacks an explicit prior, deviating from Bayesian principles. Besides, this method requires diversity among members to generate less biased uncertainty estimation results. To address the above problems, previous research has incorporated random functions as priors. Building upon these foundational efforts, our work introduces an innovative approach with delicately designed prior NNs, which can incorporate maximal diversity in the initial value functions of RL. Our method has demonstrated superior performance compared with the random prior approaches in solving classic control problems and general exploration tasks, significantly improving sample efficiency.
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In active learning for graph-structured data, Graph Neural Networks (GNNs) have shown effectiveness. However, a common challenge in these applications is the underutilization of crucial structural information. To address this problem, we propose the Structural-Clustering PageRank method for improved Active learning (SPA) specifically designed for graph-structured data. SPA integrates community detection using the SCAN algorithm with the PageRank scoring method for efficient and informative sample selection. SPA prioritizes nodes that are not only informative but also central in structure. Through extensive experiments, SPA demonstrates higher accuracy and macro-F1 score over existing methods across different annotation budgets and achieves significant reductions in query time. In addition, the proposed method only adds two hyperparameters, $\epsilon$ and $\mu$ in the algorithm to finely tune the balance between structural learning and node selection. This simplicity is a key advantage in active learning scenarios, where extensive hyperparameter tuning is often impractical.
Many existing learning-based grasping approaches concentrate on a single embodiment, provide limited generalization to higher DoF end-effectors and cannot capture a diverse set of grasp modes. We tackle the problem of grasping using multiple embodiments by learning rich geometric representations for both objects and end-effectors using Graph Neural Networks. Our novel method - GeoMatch - applies supervised learning on grasping data from multiple embodiments, learning end-to-end contact point likelihood maps as well as conditional autoregressive predictions of grasps keypoint-by-keypoint. We compare our method against baselines that support multiple embodiments. Our approach performs better across three end-effectors, while also producing diverse grasps. Examples, including real robot demos, can be found at geo-match.github.io.
While Reinforcement Learning (RL) achieves tremendous success in sequential decision-making problems of many domains, it still faces key challenges of data inefficiency and the lack of interpretability. Interestingly, many researchers have leveraged insights from the causality literature recently, bringing forth flourishing works to unify the merits of causality and address well the challenges from RL. As such, it is of great necessity and significance to collate these Causal Reinforcement Learning (CRL) works, offer a review of CRL methods, and investigate the potential functionality from causality toward RL. In particular, we divide existing CRL approaches into two categories according to whether their causality-based information is given in advance or not. We further analyze each category in terms of the formalization of different models, ranging from the Markov Decision Process (MDP), Partially Observed Markov Decision Process (POMDP), Multi-Arm Bandits (MAB), and Dynamic Treatment Regime (DTR). Moreover, we summarize the evaluation matrices and open sources while we discuss emerging applications, along with promising prospects for the future development of CRL.
With the rapid development of deep learning, training Big Models (BMs) for multiple downstream tasks becomes a popular paradigm. Researchers have achieved various outcomes in the construction of BMs and the BM application in many fields. At present, there is a lack of research work that sorts out the overall progress of BMs and guides the follow-up research. In this paper, we cover not only the BM technologies themselves but also the prerequisites for BM training and applications with BMs, dividing the BM review into four parts: Resource, Models, Key Technologies and Application. We introduce 16 specific BM-related topics in those four parts, they are Data, Knowledge, Computing System, Parallel Training System, Language Model, Vision Model, Multi-modal Model, Theory&Interpretability, Commonsense Reasoning, Reliability&Security, Governance, Evaluation, Machine Translation, Text Generation, Dialogue and Protein Research. In each topic, we summarize clearly the current studies and propose some future research directions. At the end of this paper, we conclude the further development of BMs in a more general view.
Contrastive learning models have achieved great success in unsupervised visual representation learning, which maximize the similarities between feature representations of different views of the same image, while minimize the similarities between feature representations of views of different images. In text summarization, the output summary is a shorter form of the input document and they have similar meanings. In this paper, we propose a contrastive learning model for supervised abstractive text summarization, where we view a document, its gold summary and its model generated summaries as different views of the same mean representation and maximize the similarities between them during training. We improve over a strong sequence-to-sequence text generation model (i.e., BART) on three different summarization datasets. Human evaluation also shows that our model achieves better faithfulness ratings compared to its counterpart without contrastive objectives.
Graph Convolutional Network (GCN) has achieved extraordinary success in learning effective task-specific representations of nodes in graphs. However, regarding Heterogeneous Information Network (HIN), existing HIN-oriented GCN methods still suffer from two deficiencies: (1) they cannot flexibly explore all possible meta-paths and extract the most useful ones for a target object, which hinders both effectiveness and interpretability; (2) they often need to generate intermediate meta-path based dense graphs, which leads to high computational complexity. To address the above issues, we propose an interpretable and efficient Heterogeneous Graph Convolutional Network (ie-HGCN) to learn the representations of objects in HINs. It is designed as a hierarchical aggregation architecture, i.e., object-level aggregation first, followed by type-level aggregation. The novel architecture can automatically extract useful meta-paths for each object from all possible meta-paths (within a length limit), which brings good model interpretability. It can also reduce the computational cost by avoiding intermediate HIN transformation and neighborhood attention. We provide theoretical analysis about the proposed ie-HGCN in terms of evaluating the usefulness of all possible meta-paths, its connection to the spectral graph convolution on HINs, and its quasi-linear time complexity. Extensive experiments on three real network datasets demonstrate the superiority of ie-HGCN over the state-of-the-art methods.
Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
Graphical causal inference as pioneered by Judea Pearl arose from research on artificial intelligence (AI), and for a long time had little connection to the field of machine learning. This article discusses where links have been and should be established, introducing key concepts along the way. It argues that the hard open problems of machine learning and AI are intrinsically related to causality, and explains how the field is beginning to understand them.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
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