Offline reinforcement learning (RL) aims to learn optimal policies from offline datasets, where the parameterization of policies is crucial but often overlooked. Recently, Diffsuion-QL significantly boosts the performance of offline RL by representing a policy with a diffusion model, whose success relies on a parametrized Markov Chain with hundreds of steps for sampling. However, Diffusion-QL suffers from two critical limitations. 1) It is computationally inefficient to forward and backward through the whole Markov chain during training. 2) It is incompatible with maximum likelihood-based RL algorithms (e.g., policy gradient methods) as the likelihood of diffusion models is intractable. Therefore, we propose efficient diffusion policy (EDP) to overcome these two challenges. EDP approximately constructs actions from corrupted ones at training to avoid running the sampling chain. We conduct extensive experiments on the D4RL benchmark. The results show that EDP can reduce the diffusion policy training time from 5 days to 5 hours on gym-locomotion tasks. Moreover, we show that EDP is compatible with various offline RL algorithms (TD3, CRR, and IQL) and achieves new state-of-the-art on D4RL by large margins over previous methods. Our code is available at //github.com/sail-sg/edp.
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Motivated by policy gradient methods in the context of reinforcement learning, we derive the first large deviation rate function for the iterates generated by stochastic gradient descent for possibly non-convex objectives satisfying a Polyak-Lojasiewicz condition. Leveraging the contraction principle from large deviations theory, we illustrate the potential of this result by showing how convergence properties of policy gradient with a softmax parametrization and an entropy regularized objective can be naturally extended to a wide spectrum of other policy parametrizations.
We propose a novel framework DropTop that suppresses the shortcut bias in online continual learning (OCL) while being adaptive to the varying degree of the shortcut bias incurred by continuously changing environment. By the observed high-attention property of the shortcut bias, highly-activated features are considered candidates for debiasing. More importantly, resolving the limitation of the online environment where prior knowledge and auxiliary data are not ready, two novel techniques -- feature map fusion and adaptive intensity shifting -- enable us to automatically determine the appropriate level and proportion of the candidate shortcut features to be dropped. Extensive experiments on five benchmark datasets demonstrate that, when combined with various OCL algorithms, DropTop increases the average accuracy by up to 10.4% and decreases the forgetting by up to 63.2%.
In Artificial Intelligence (AI) and computational science, learning the mappings between functions (called operators) defined on complex computational domains is a common theoretical challenge. Recently, Neural Operator emerged as a promising framework with a discretisation-independent model structure to break the fixed-dimension limitation of classical deep learning models. However, existing operator learning methods mainly focus on regular computational domains, and many components of these methods rely on Euclidean structural data. In real-life applications, many operator learning problems are related to complex computational domains such as complex surfaces and solids, which are non-Euclidean and widely referred to as Riemannian manifolds. Here, we report a new concept, Neural Operator on Riemannian Manifolds (NORM), which generalises Neural Operator from being limited to Euclidean spaces to being applicable to Riemannian manifolds, and can learn the mapping between functions defined on any real-life complex geometries, while preserving the discretisation-independent model structure. NORM shifts the function-to-function mapping to finite-dimensional mapping in the Laplacian eigenfunctions' subspace of geometry, and holds universal approximation property in learning operators on Riemannian manifolds even with only one fundamental block. The theoretical and experimental analysis prove that NORM is a significant step forward in operator learning and has the potential to solve complex problems in many fields of applications sharing the same nature and theoretical principle.
Quantum Internet signifies a remarkable advancement in communication technology, harnessing the principles of quantum entanglement and superposition to facilitate unparalleled levels of security and efficient computations. Quantum communication can be achieved through the utilization of quantum entanglement. Through the exchange of entangled pairs between two entities, quantum communication becomes feasible, enabled by the process of quantum teleportation. Given the lossy nature of the channels and the exponential decoherence of the transmitted photons, a set of intermediate nodes can serve as quantum repeaters to perform entanglement swapping and directly entangle two distant nodes. Such quantum repeaters may be malicious and by setting up malicious entanglements, intermediate nodes can jeopardize the confidentiality of the quantum information exchanged between the two communication nodes. Hence, this paper proposes a quantum identity authentication protocol that protects quantum networks from malicious entanglements. Unlike the existing protocols, the proposed quantum authentication protocol does not require periodic refreshments of the shared secret keys. Simulation results demonstrate that the proposed protocol can detect malicious entanglements with a 100% probability after an average of 4 authentication rounds.
We propose a novel algorithmic framework for distributional reinforcement learning, based on learning finite-dimensional mean embeddings of return distributions. We derive several new algorithms for dynamic programming and temporal-difference learning based on this framework, provide asymptotic convergence theory, and examine the empirical performance of the algorithms on a suite of tabular tasks. Further, we show that this approach can be straightforwardly combined with deep reinforcement learning, and obtain a new deep RL agent that improves over baseline distributional approaches on the Arcade Learning Environment.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
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.
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.
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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