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Predictive simulations are essential for applications ranging from weather forecasting to material design. The veracity of these simulations hinges on their capacity to capture the effective system dynamics. Massively parallel simulations predict the systems dynamics by resolving all spatiotemporal scales, often at a cost that prevents experimentation. On the other hand, reduced order models are fast but often limited by the linearization of the system dynamics and the adopted heuristic closures. We propose a novel systematic framework that bridges large scale simulations and reduced order models to extract and forecast adaptively the effective dynamics (AdaLED) of multiscale systems. AdaLED employs an autoencoder to identify reduced-order representations of the system dynamics and an ensemble of probabilistic recurrent neural networks (RNNs) as the latent time-stepper. The framework alternates between the computational solver and the surrogate, accelerating learned dynamics while leaving yet-to-be-learned dynamics regimes to the original solver. AdaLED continuously adapts the surrogate to the new dynamics through online training. The transitions between the surrogate and the computational solver are determined by monitoring the prediction accuracy and uncertainty of the surrogate. The effectiveness of AdaLED is demonstrated on three different systems - a Van der Pol oscillator, a 2D reaction-diffusion equation, and a 2D Navier-Stokes flow past a cylinder for varying Reynolds numbers (400 up to 1200), showcasing its ability to learn effective dynamics online, detect unseen dynamics regimes, and provide net speed-ups. To the best of our knowledge, AdaLED is the first framework that couples a surrogate model with a computational solver to achieve online adaptive learning of effective dynamics. It constitutes a potent tool for applications requiring many expensive simulations.

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自適應學(xue)(xue)(xue)習(xi)(xi),也被稱為自適應教學(xue)(xue)(xue),是使用(yong)計(ji)(ji)算(suan)機算(suan)法來協調與學(xue)(xue)(xue)習(xi)(xi)者(zhe)的互動(dong),并提供定制學(xue)(xue)(xue)習(xi)(xi)資源和學(xue)(xue)(xue)習(xi)(xi)活動(dong)來解決每個(ge)學(xue)(xue)(xue)習(xi)(xi)者(zhe)的獨特需求的教育(yu)方法。在專業的學(xue)(xue)(xue)習(xi)(xi)情(qing)境,個(ge)人可以(yi)“試驗出”一些訓(xun)練方式(shi),以(yi)確保(bao)教學(xue)(xue)(xue)內容的更新。根(gen)據學(xue)(xue)(xue)生(sheng)的學(xue)(xue)(xue)習(xi)(xi)需要,計(ji)(ji)算(suan)機生(sheng)成適應其(qi)特點(dian)的教育(yu)材(cai)料,包(bao)括他們(men)對問題的回答和完成的任務和經驗。該技術涵蓋了各個(ge)研究領(ling)域(yu)和它們(men)的衍生(sheng),包(bao)括計(ji)(ji)算(suan)機科學(xue)(xue)(xue)、人工智(zhi)能、心理(li)測驗、教育(yu)學(xue)(xue)(xue)、心理(li)學(xue)(xue)(xue)和腦科學(xue)(xue)(xue)。

Modeling of real-world biological multi-agents is a fundamental problem in various scientific and engineering fields. Reinforcement learning (RL) is a powerful framework to generate flexible and diverse behaviors in cyberspace; however, when modeling real-world biological multi-agents, there is a domain gap between behaviors in the source (i.e., real-world data) and the target (i.e., cyberspace for RL), and the source environment parameters are usually unknown. In this paper, we propose a method for adaptive action supervision in RL from real-world demonstrations in multi-agent scenarios. We adopt an approach that combines RL and supervised learning by selecting actions of demonstrations in RL based on the minimum distance of dynamic time warping for utilizing the information of the unknown source dynamics. This approach can be easily applied to many existing neural network architectures and provide us with an RL model balanced between reproducibility as imitation and generalization ability to obtain rewards in cyberspace. In the experiments, using chase-and-escape and football tasks with the different dynamics between the unknown source and target environments, we show that our approach achieved a balance between the reproducibility and the generalization ability compared with the baselines. In particular, we used the tracking data of professional football players as expert demonstrations in football and show successful performances despite the larger gap between behaviors in the source and target environments than the chase-and-escape task.

Dynamic multi-objective optimisation (DMO) handles optimisation problems with multiple (often conflicting) objectives in varying environments. Such problems pose various challenges to evolutionary algorithms, which have popularly been used to solve complex optimisation problems, due to their dynamic nature and resource restrictions in changing environments. This paper proposes vector autoregressive evolution (VARE) consisting of vector autoregression (VAR) and environment-aware hypermutation to address environmental changes in DMO. VARE builds a VAR model that considers mutual relationship between decision variables to effectively predict the moving solutions in dynamic environments. Additionally, VARE introduces EAH to address the blindness of existing hypermutation strategies in increasing population diversity in dynamic scenarios where predictive approaches are unsuitable. A seamless integration of VAR and EAH in an environment-adaptive manner makes VARE effective to handle a wide range of dynamic environments and competitive with several popular DMO algorithms, as demonstrated in extensive experimental studies. Specially, the proposed algorithm is computationally 50 times faster than two widely-used algorithms (i.e., TrDMOEA and MOEA/D-SVR) while producing significantly better results.

Agent based modelling (ABM) is a computational approach to modelling complex systems by specifying the behaviour of autonomous decision-making components or agents in the system and allowing the system dynamics to emerge from their interactions. Recent advances in the field of Multi-agent reinforcement learning (MARL) have made it feasible to study the equilibrium of complex environments where multiple agents learn simultaneously. However, most ABM frameworks are not RL-native, in that they do not offer concepts and interfaces that are compatible with the use of MARL to learn agent behaviours. In this paper, we introduce a new open-source framework, Phantom, to bridge the gap between ABM and MARL. Phantom is an RL-driven framework for agent-based modelling of complex multi-agent systems including, but not limited to economic systems and markets. The framework aims to provide the tools to simplify the ABM specification in a MARL-compatible way - including features to encode dynamic partial observability, agent utility functions, heterogeneity in agent preferences or types, and constraints on the order in which agents can act (e.g. Stackelberg games, or more complex turn-taking environments). In this paper, we present these features, their design rationale and present two new environments leveraging the framework.

We present Self-Driven Strategy Learning (sdsl), a lightweight online learning methodology for automated reasoning tasks that involve solving a set of related problems. sdsl automatically gathers information, in form of a dataset, while solving earlier problems. It utilizes the learned data to adjust the solving strategy for later problems by fitting a machine learning model to the obtained data on the fly. We formally define the approach as a set of abstract transition rules. We describe a concrete instance of the sdsl calculus which uses conditional sampling for generating data and random forests as the underlying machine learning model. We implement the approach on top of the Kissat solver and show that the combination of Kissat+sdsl certifies larger bounds and finds more counter-examples than other state-of-the-art bounded model checking approaches on benchmarks obtained from the latest Hardware Model Checking Competition.

This paper proposes an actor-critic algorithm for controlling the temperature of a battery pack using a cooling fluid. This is modeled by a coupled 1D partial differential equation (PDE) with a controlled advection term that determines the speed of the cooling fluid. The Hamilton-Jacobi-Bellman (HJB) equation is a PDE that evaluates the optimality of the value function and determines an optimal controller. We propose an algorithm that treats the value network as a Physics-Informed Neural Network (PINN) to solve for the continuous-time HJB equation rather than a discrete-time Bellman optimality equation, and we derive an optimal controller for the environment that we exploit to achieve optimal control. Our experiments show that a hybrid-policy method that updates the value network using the HJB equation and updates the policy network identically to PPO achieves the best results in the control of this PDE system.

Experiments on online marketplaces and social networks suffer from interference, where the outcome of a unit is impacted by the treatment status of other units. We propose a framework for modeling interference using a ubiquitous deployment mechanism for experiments, staggered roll-out designs, which slowly increase the fraction of units exposed to the treatment to mitigate any unanticipated adverse side effects. Our main idea is to leverage the temporal variations in treatment assignments introduced by roll-outs to model the interference structure. We first present a set of model identification conditions under which the estimation of common estimands is possible and show how these conditions are aided by roll-out designs. Since there are often multiple competing models of interference in practice, we then develop a model selection method that evaluates models based on their ability to explain outcome variation observed along the roll-out. Through simulations, we show that our heuristic model selection method, Leave-One-Period-Out, outperforms other baselines. We conclude with a set of considerations, robustness checks, and potential limitations for practitioners wishing to use our framework.

Finite-time Lyapunov exponents (FTLEs) provide a powerful approach to compute time-varying analogs of invariant manifolds in unsteady fluid flow fields. These manifolds are useful to visualize the transport mechanisms of passive tracers advecting with the flow. However, many vehicles and mobile sensors are not passive, but are instead actuated according to some intelligent trajectory planning or control law; for example, model predictive control and reinforcement learning are often used to design energy-efficient trajectories in a dynamically changing background flow. In this work, we investigate the use of FTLE on such controlled agents to gain insight into optimal transport routes for navigation in known unsteady flows. We find that these controlled FTLE (cFTLE) coherent structures separate the flow field into different regions with similar costs of transport to the goal location. These separatrices are functions of the planning algorithm's hyper-parameters, such as the optimization time horizon and the cost of actuation. Computing the invariant sets and manifolds of active agent dynamics in dynamic flow fields is useful in the context of robust motion control, hyperparameter tuning, and determining safe and collision-free trajectories for autonomous systems. Moreover, these cFTLE structures provide insight into effective deployment locations for mobile agents with actuation and energy constraints to traverse the ocean or atmosphere.

Knowledge graphs represent factual knowledge about the world as relationships between concepts and are critical for intelligent decision making in enterprise applications. New knowledge is inferred from the existing facts in the knowledge graphs by encoding the concepts and relations into low-dimensional feature vector representations. The most effective representations for this task, called Knowledge Graph Embeddings (KGE), are learned through neural network architectures. Due to their impressive predictive performance, they are increasingly used in high-impact domains like healthcare, finance and education. However, are the black-box KGE models adversarially robust for use in domains with high stakes? This thesis argues that state-of-the-art KGE models are vulnerable to data poisoning attacks, that is, their predictive performance can be degraded by systematically crafted perturbations to the training knowledge graph. To support this argument, two novel data poisoning attacks are proposed that craft input deletions or additions at training time to subvert the learned model's performance at inference time. These adversarial attacks target the task of predicting the missing facts in knowledge graphs using KGE models, and the evaluation shows that the simpler attacks are competitive with or outperform the computationally expensive ones. The thesis contributions not only highlight and provide an opportunity to fix the security vulnerabilities of KGE models, but also help to understand the black-box predictive behaviour of KGE models.

Self-supervised learning has been widely used to obtain transferrable representations from unlabeled images. Especially, recent contrastive learning methods have shown impressive performances on downstream image classification tasks. While these contrastive methods mainly focus on generating invariant global representations at the image-level under semantic-preserving transformations, they are prone to overlook spatial consistency of local representations and therefore have a limitation in pretraining for localization tasks such as object detection and instance segmentation. Moreover, aggressively cropped views used in existing contrastive methods can minimize representation distances between the semantically different regions of a single image. In this paper, we propose a spatially consistent representation learning algorithm (SCRL) for multi-object and location-specific tasks. In particular, we devise a novel self-supervised objective that tries to produce coherent spatial representations of a randomly cropped local region according to geometric translations and zooming operations. On various downstream localization tasks with benchmark datasets, the proposed SCRL shows significant performance improvements over the image-level supervised pretraining as well as the state-of-the-art self-supervised learning methods.

Behaviors of the synthetic characters in current military simulations are limited since they are generally generated by rule-based and reactive computational models with minimal intelligence. Such computational models cannot adapt to reflect the experience of the characters, resulting in brittle intelligence for even the most effective behavior models devised via costly and labor-intensive processes. Observation-based behavior model adaptation that leverages machine learning and the experience of synthetic entities in combination with appropriate prior knowledge can address the issues in the existing computational behavior models to create a better training experience in military training simulations. In this paper, we introduce a framework that aims to create autonomous synthetic characters that can perform coherent sequences of believable behavior while being aware of human trainees and their needs within a training simulation. This framework brings together three mutually complementary components. The first component is a Unity-based simulation environment - Rapid Integration and Development Environment (RIDE) - supporting One World Terrain (OWT) models and capable of running and supporting machine learning experiments. The second is Shiva, a novel multi-agent reinforcement and imitation learning framework that can interface with a variety of simulation environments, and that can additionally utilize a variety of learning algorithms. The final component is the Sigma Cognitive Architecture that will augment the behavior models with symbolic and probabilistic reasoning capabilities. We have successfully created proof-of-concept behavior models leveraging this framework on realistic terrain as an essential step towards bringing machine learning into military simulations.

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