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Graphs can be used to represent and reason about systems and a variety of metrics have been devised to quantify their global characteristics. However, little is currently known about how to construct a graph or improve an existing one given a target objective. In this work, we formulate the construction of a graph as a decision-making process in which a central agent creates topologies by trial and error and receives rewards proportional to the value of the target objective. By means of this conceptual framework, we propose an algorithm based on reinforcement learning and graph neural networks to learn graph construction and improvement strategies. Our core case study focuses on robustness to failures and attacks, a property relevant for the infrastructure and communication networks that power modern society. Experiments on synthetic and real-world graphs show that this approach can outperform existing methods while being cheaper to evaluate. It also allows generalization to out-of-sample graphs, as well as to larger out-of-distribution graphs in some cases. The approach is applicable to the optimization of other global structural properties of graphs.

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The standard formulation of Reinforcement Learning lacks a practical way of specifying what are admissible and forbidden behaviors. Most often, practitioners go about the task of behavior specification by manually engineering the reward function, a counter-intuitive process that requires several iterations and is prone to reward hacking by the agent. In this work, we argue that constrained RL, which has almost exclusively been used for safe RL, also has the potential to significantly reduce the amount of work spent for reward specification in applied Reinforcement Learning projects. To this end, we propose to specify behavioral preferences in the CMDP framework and to use Lagrangian methods, which seek to solve a min-max problem between the agent's policy and the Lagrangian multipliers, to automatically weigh each of the behavioral constraints. Specifically, we investigate how CMDPs can be adapted in order to solve goal-based tasks while adhering to a set of behavioral constraints and propose modifications to the SAC-Lagrangian algorithm to handle the challenging case of several constraints. We evaluate this framework on a set of continuous control tasks relevant to the application of Reinforcement Learning for NPC design in video games.

Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and complete relations between nodes. However, graphs in the real world are inevitably noisy or incomplete, which could even exacerbate the quality of graph representations. In this work, we propose a novel Variational Information Bottleneck guided Graph Structure Learning framework, namely VIB-GSL, in the perspective of information theory. VIB-GSL advances the Information Bottleneck (IB) principle for graph structure learning, providing a more elegant and universal framework for mining underlying task-relevant relations. VIB-GSL learns an informative and compressive graph structure to distill the actionable information for specific downstream tasks. VIB-GSL deduces a variational approximation for irregular graph data to form a tractable IB objective function, which facilitates training stability. Extensive experimental results demonstrate that the superior effectiveness and robustness of VIB-GSL.

Discovering causal structure among a set of variables is a fundamental problem in many empirical sciences. Traditional score-based casual discovery methods rely on various local heuristics to search for a Directed Acyclic Graph (DAG) according to a predefined score function. While these methods, e.g., greedy equivalence search, may have attractive results with infinite samples and certain model assumptions, they are usually less satisfactory in practice due to finite data and possible violation of assumptions. Motivated by recent advances in neural combinatorial optimization, we propose to use Reinforcement Learning (RL) to search for the DAG with the best scoring. Our encoder-decoder model takes observable data as input and generates graph adjacency matrices that are used to compute rewards. The reward incorporates both the predefined score function and two penalty terms for enforcing acyclicity. In contrast with typical RL applications where the goal is to learn a policy, we use RL as a search strategy and our final output would be the graph, among all graphs generated during training, that achieves the best reward. We conduct experiments on both synthetic and real datasets, and show that the proposed approach not only has an improved search ability but also allows a flexible score function under the acyclicity constraint.

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.

In this paper, we investigate the practical challenges of using reinforcement learning agents for question-answering over knowledge graphs. We examine the performance metrics used by state-of-the-art systems and determine that they are inadequate. More specifically, they do not evaluate the systems correctly for situations when there is no answer available and thus agents optimized for these metrics are poor at modeling confidence. We introduce a simple new performance metric for evaluating question-answering agents that is more representative of practical usage conditions, and optimize for this metric by extending the binary reward structure used in prior work to a ternary reward structure which also rewards an agent for not answering a question rather than giving an incorrect answer. We show that this can drastically improve the precision of answered questions while only not answering a limited number of questions that were previously answered correctly.

Efficient exploration remains a major challenge for reinforcement learning. One reason is that the variability of the returns often depends on the current state and action, and is therefore heteroscedastic. Classical exploration strategies such as upper confidence bound algorithms and Thompson sampling fail to appropriately account for heteroscedasticity, even in the bandit setting. Motivated by recent findings that address this issue in bandits, we propose to use Information-Directed Sampling (IDS) for exploration in reinforcement learning. As our main contribution, we build on recent advances in distributional reinforcement learning and propose a novel, tractable approximation of IDS for deep Q-learning. The resulting exploration strategy explicitly accounts for both parametric uncertainty and heteroscedastic observation noise. We evaluate our method on Atari games and demonstrate a significant improvement over alternative approaches.

Structured queries expressed in languages (such as SQL, SPARQL, or XQuery) offer a convenient and explicit way for users to express their information needs for a number of tasks. In this work, we present an approach to answer these directly over text data without storing results in a database. We specifically look at the case of knowledge bases where queries are over entities and the relations between them. Our approach combines distributed query answering (e.g. Triple Pattern Fragments) with models built for extractive question answering. Importantly, by applying distributed querying answering we are able to simplify the model learning problem. We train models for a large portion (572) of the relations within Wikidata and achieve an average 0.70 F1 measure across all models. We also present a systematic method to construct the necessary training data for this task from knowledge graphs and describe a prototype implementation.

We introduce an approach for deep reinforcement learning (RL) that improves upon the efficiency, generalization capacity, and interpretability of conventional approaches through structured perception and relational reasoning. It uses self-attention to iteratively reason about the relations between entities in a scene and to guide a model-free policy. Our results show that in a novel navigation and planning task called Box-World, our agent finds interpretable solutions that improve upon baselines in terms of sample complexity, ability to generalize to more complex scenes than experienced during training, and overall performance. In the StarCraft II Learning Environment, our agent achieves state-of-the-art performance on six mini-games -- surpassing human grandmaster performance on four. By considering architectural inductive biases, our work opens new directions for overcoming important, but stubborn, challenges in deep RL.

Meta-learning is a powerful tool that builds on multi-task learning to learn how to quickly adapt a model to new tasks. In the context of reinforcement learning, meta-learning algorithms can acquire reinforcement learning procedures to solve new problems more efficiently by meta-learning prior tasks. The performance of meta-learning algorithms critically depends on the tasks available for meta-training: in the same way that supervised learning algorithms generalize best to test points drawn from the same distribution as the training points, meta-learning methods generalize best to tasks from the same distribution as the meta-training tasks. In effect, meta-reinforcement learning offloads the design burden from algorithm design to task design. If we can automate the process of task design as well, we can devise a meta-learning algorithm that is truly automated. In this work, we take a step in this direction, proposing a family of unsupervised meta-learning algorithms for reinforcement learning. We describe a general recipe for unsupervised meta-reinforcement learning, and describe an effective instantiation of this approach based on a recently proposed unsupervised exploration technique and model-agnostic meta-learning. We also discuss practical and conceptual considerations for developing unsupervised meta-learning methods. Our experimental results demonstrate that unsupervised meta-reinforcement learning effectively acquires accelerated reinforcement learning procedures without the need for manual task design, significantly exceeds the performance of learning from scratch, and even matches performance of meta-learning methods that use hand-specified task distributions.

Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due to the non-unique, high-dimensional nature of graphs and the complex, non-local dependencies that exist between edges in a given graph. Here we propose GraphRNN, a deep autoregressive model that addresses the above challenges and approximates any distribution of graphs with minimal assumptions about their structure. GraphRNN learns to generate graphs by training on a representative set of graphs and decomposes the graph generation process into a sequence of node and edge formations, conditioned on the graph structure generated so far. In order to quantitatively evaluate the performance of GraphRNN, we introduce a benchmark suite of datasets, baselines and novel evaluation metrics based on Maximum Mean Discrepancy, which measure distances between sets of graphs. Our experiments show that GraphRNN significantly outperforms all baselines, learning to generate diverse graphs that match the structural characteristics of a target set, while also scaling to graphs 50 times larger than previous deep models.

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