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The ever-growing size of modern space-time data sets, such as those collected by remote sensing, requires new techniques for their efficient and automated processing, including gap-filling of missing values. CUDA-based parallelization on GPU has become a popular way to dramatically increase computational efficiency of various approaches. Recently, we have proposed a computationally efficient and competitive, yet simple spatial prediction approach inspired from statistical physics models, called modified planar rotator (MPR) method. Its GPU implementation allowed additional impressive computational acceleration exceeding two orders of magnitude in comparison with CPU calculations. In the current study we propose a rather general approach to modelling spatial heterogeneity in GPU-implemented spatial prediction methods for two-dimensional gridded data by introducing spatial variability to model parameters. Predictions of unknown values are obtained from non-equilibrium conditional simulations, assuming ``local'' equilibrium conditions. We demonstrate that the proposed method leads to significant improvements in both prediction performance and computational efficiency.

Neglected tropical diseases (NTDs) continue to affect the livelihood of individuals in countries in the Southeast Asia and Western Pacific region. These diseases have been long existing and have caused devastating health problems and economic decline to people in low- and middle-income (developing) countries. An estimated 1.7 billion of the world's population suffer one or more NTDs annually, this puts approximately one in five individuals at risk for NTDs. In addition to health and social impact, NTDs inflict significant financial burden to patients, close relatives, and are responsible for billions of dollars lost in revenue from reduced labor productivity in developing countries alone. There is an urgent need to better improve the control and eradication or elimination efforts towards NTDs. This can be achieved by utilizing machine learning tools to better the surveillance, prediction and detection program, and combat NTDs through the discovery of new therapeutics against these pathogens. This review surveys the current application of machine learning tools for NTDs and the challenges to elevate the state-of-the-art of NTDs surveillance, management, and treatment.

Multi-agent reinforcement learning (MARL) suffers from the non-stationarity problem, which is the ever-changing targets at every iteration when multiple agents update their policies at the same time. Starting from first principle, in this paper, we manage to solve the non-stationarity problem by proposing bidirectional action-dependent Q-learning (ACE). Central to the development of ACE is the sequential decision-making process wherein only one agent is allowed to take action at one time. Within this process, each agent maximizes its value function given the actions taken by the preceding agents at the inference stage. In the learning phase, each agent minimizes the TD error that is dependent on how the subsequent agents have reacted to their chosen action. Given the design of bidirectional dependency, ACE effectively turns a multiagent MDP into a single-agent MDP. We implement the ACE framework by identifying the proper network representation to formulate the action dependency, so that the sequential decision process is computed implicitly in one forward pass. To validate ACE, we compare it with strong baselines on two MARL benchmarks. Empirical experiments demonstrate that ACE outperforms the state-of-the-art algorithms on Google Research Football and StarCraft Multi-Agent Challenge by a large margin. In particular, on SMAC tasks, ACE achieves 100% success rate on almost all the hard and super-hard maps. We further study extensive research problems regarding ACE, including extension, generalization, and practicability. Code is made available to facilitate further research.

Smart retail stores are becoming the fact of our lives. Several computer vision and sensor based systems are working together to achieve such a complex and automated operation. Besides, the retail sector already has several open and challenging problems which can be solved with the help of pattern recognition and computer vision methods. One important problem to be tackled is the planogram compliance control. In this study, we propose a novel method to solve it. The proposed method is based on object detection, planogram compliance control, and focused and iterative search steps. The object detection step is formed by local feature extraction and implicit shape model formation. The planogram compliance control step is formed by sequence alignment via the modified Needleman-Wunsch algorithm. The focused and iterative search step aims to improve the performance of the object detection and planogram compliance control steps. We tested all three steps on two different datasets. Based on these tests, we summarize the key findings as well as strengths and weaknesses of the proposed method.

This work addresses fair generative models. Dataset biases have been a major cause of unfairness in deep generative models. Previous work had proposed to augment large, biased datasets with small, unbiased reference datasets. Under this setup, a weakly-supervised approach has been proposed, which achieves state-of-the-art quality and fairness in generated samples. In our work, based on this setup, we propose a simple yet effective approach. Specifically, first, we propose fairTL, a transfer learning approach to learn fair generative models. Under fairTL, we pre-train the generative model with the available large, biased datasets and subsequently adapt the model using the small, unbiased reference dataset. We find that our fairTL can learn expressive sample generation during pre-training, thanks to the large (biased) dataset. This knowledge is then transferred to the target model during adaptation, which also learns to capture the underlying fair distribution of the small reference dataset. Second, we propose fairTL++, where we introduce two additional innovations to improve upon fairTL: (i) multiple feedback and (ii) Linear-Probing followed by Fine-Tuning (LP-FT). Taking one step further, we consider an alternative, challenging setup when only a pre-trained (potentially biased) model is available but the dataset that was used to pre-train the model is inaccessible. We demonstrate that our proposed fairTL and fairTL++ remain very effective under this setup. We note that previous work requires access to the large, biased datasets and is incapable of handling this more challenging setup. Extensive experiments show that fairTL and fairTL++ achieve state-of-the-art in both quality and fairness of generated samples. The code and additional resources can be found at bearwithchris.github.io/fairTL/.

Efficient motion planning algorithms are of central importance for deploying robots in the real world. Unfortunately, these algorithms often drastically reduce the dimensionality of the problem for the sake of feasibility, thereby foregoing optimal solutions. This limitation is most readily observed in agile robots, where the solution space can have multiple additional dimensions. Optimal control approaches partially solve this problem by finding optimal solutions without sacrificing the complexity of the environment, but do not meet the efficiency demands of real-world applications. This work proposes an approach to resolve these issues simultaneously by training a machine learning model on the outputs of an optimal control approach.

Mixed-Integer Linear Programming (MILP) plays an important role across a range of scientific disciplines and within areas of strategic importance to society. The MILP problems, however, suffer from combinatorial complexity. Because of integer decision variables, as the problem size increases, the number of possible solutions increases super-linearly thereby leading to a drastic increase in the computational effort. To efficiently solve MILP problems, a "price-based" decomposition and coordination approach is developed to exploit 1. the super-linear reduction of complexity upon the decomposition and 2. the geometric convergence potential inherent to Polyak's stepsizing formula for the fastest coordination possible to obtain near-optimal solutions in a computationally efficient manner. Unlike all previous methods to set stepsizes heuristically by adjusting hyperparameters, the key novel way to obtain stepsizes is purely decision-based: a novel "auxiliary" constraint satisfaction problem is solved, from which the appropriate stepsizes are inferred. Testing results for large-scale Generalized Assignment Problems (GAP) demonstrate that for the majority of instances, certifiably optimal solutions are obtained. For stochastic job-shop scheduling as well as for pharmaceutical scheduling, computational results demonstrate the two orders of magnitude speedup as compared to Branch-and-Cut (B&C). The new method has a major impact on the efficient resolution of complex Mixed-Integer Programming (MIP) problems arising within a variety of scientific fields.

In large-scale systems there are fundamental challenges when centralised techniques are used for task allocation. The number of interactions is limited by resource constraints such as on computation, storage, and network communication. We can increase scalability by implementing the system as a distributed task-allocation system, sharing tasks across many agents. However, this also increases the resource cost of communications and synchronisation, and is difficult to scale. In this paper we present four algorithms to solve these problems. The combination of these algorithms enable each agent to improve their task allocation strategy through reinforcement learning, while changing how much they explore the system in response to how optimal they believe their current strategy is, given their past experience. We focus on distributed agent systems where the agents' behaviours are constrained by resource usage limits, limiting agents to local rather than system-wide knowledge. We evaluate these algorithms in a simulated environment where agents are given a task composed of multiple subtasks that must be allocated to other agents with differing capabilities, to then carry out those tasks. We also simulate real-life system effects such as networking instability. Our solution is shown to solve the task allocation problem to 6.7% of the theoretical optimal within the system configurations considered. It provides 5x better performance recovery over no-knowledge retention approaches when system connectivity is impacted, and is tested against systems up to 100 agents with less than a 9% impact on the algorithms' performance.

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains is dramatically increasing in both size and complexity. Taken together, this suggests many exciting opportunities for deep learning applications in scientific settings. But a significant challenge to this is simply knowing where to start. The sheer breadth and diversity of different deep learning techniques makes it difficult to determine what scientific problems might be most amenable to these methods, or which specific combination of methods might offer the most promising first approach. In this survey, we focus on addressing this central issue, providing an overview of many widely used deep learning models, spanning visual, sequential and graph structured data, associated tasks and different training methods, along with techniques to use deep learning with less data and better interpret these complex models --- two central considerations for many scientific use cases. We also include overviews of the full design process, implementation tips, and links to a plethora of tutorials, research summaries and open-sourced deep learning pipelines and pretrained models, developed by the community. We hope that this survey will help accelerate the use of deep learning across different scientific domains.