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We devise a theoretical framework and a numerical method to infer trajectories of a stochastic process from samples of its temporal marginals. This problem arises in the analysis of single cell RNA-sequencing data, which provide high dimensional measurements of cell states but cannot track the trajectories of the cells over time. We prove that for a class of stochastic processes it is possible to recover the ground truth trajectories from limited samples of the temporal marginals at each time-point, and provide an efficient algorithm to do so in practice. The method we develop, Global Waddington-OT (gWOT), boils down to a smooth convex optimization problem posed globally over all time-points involving entropy-regularized optimal transport. We demonstrate that this problem can be solved efficiently in practice and yields good reconstructions, as we show on several synthetic and real datasets.

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Amortized variational inference produces a posterior approximator that can compute a posterior approximation given any new observation. Unfortunately, there are few guarantees about the quality of these approximate posteriors. We propose Conformalized Amortized Neural Variational Inference (CANVI), a procedure that is scalable, easily implemented, and provides guaranteed marginal coverage. Given a collection of candidate amortized posterior approximators, CANVI constructs conformalized predictors based on each candidate, compares the predictors using a metric known as predictive efficiency, and returns the most efficient predictor. CANVI ensures that the resulting predictor constructs regions that contain the truth with high probability (exactly how high is prespecified by the user). CANVI is agnostic to design decisions in formulating the candidate approximators and only requires access to samples from the forward model, permitting its use in likelihood-free settings. We prove lower bounds on the predictive efficiency of the regions produced by CANVI and explore how the quality of a posterior approximation relates to the predictive efficiency of prediction regions based on that approximation. Finally, we demonstrate the accurate calibration and high predictive efficiency of CANVI on a suite of simulation-based inference benchmark tasks and an important scientific task: analyzing galaxy emission spectra.

Stein Variational Gradient Descent (SVGD) is a nonparametric particle-based deterministic sampling algorithm. Despite its wide usage, understanding the theoretical properties of SVGD has remained a challenging problem. For sampling from a Gaussian target, the SVGD dynamics with a bilinear kernel will remain Gaussian as long as the initializer is Gaussian. Inspired by this fact, we undertake a detailed theoretical study of the Gaussian-SVGD, i.e., SVGD projected to the family of Gaussian distributions via the bilinear kernel, or equivalently Gaussian variational inference (GVI) with SVGD. We present a complete picture by considering both the mean-field PDE and discrete particle systems. When the target is strongly log-concave, the mean-field Gaussian-SVGD dynamics is proven to converge linearly to the Gaussian distribution closest to the target in KL divergence. In the finite-particle setting, there is both uniform in time convergence to the mean-field limit and linear convergence in time to the equilibrium if the target is Gaussian. In the general case, we propose a density-based and a particle-based implementation of the Gaussian-SVGD, and show that several recent algorithms for GVI, proposed from different perspectives, emerge as special cases of our unified framework. Interestingly, one of the new particle-based instance from this framework empirically outperforms existing approaches. Our results make concrete contributions towards obtaining a deeper understanding of both SVGD and GVI.

According to the fundamental theorems of welfare economics, any competitive equilibrium is Pareto efficient. Unfortunately, competitive equilibrium prices only exist under strong assumptions such as perfectly divisible goods and convex preferences. In many real-world markets, participants have non-convex preferences and the allocation problem needs to consider complex constraints. Electricity markets are a prime example, but similar problems appear in many real-world markets, which has led to a growing literature in market design. Power markets use heuristic pricing rules based on the dual of a relaxed allocation problem today. With increasing levels of renewables, these rules have come under scrutiny as they lead to high out-of-market side-payments to some participants and to inadequate congestion signals. We show that existing pricing heuristics optimize specific design goals that can be conflicting. The trade-offs can be substantial, and we establish that the design of pricing rules is fundamentally a multi-objective optimization problem addressing different incentives. In addition to traditional multi-objective optimization techniques using weighing of individual objectives, we introduce a novel parameter-free pricing rule that minimizes incentives for market participants to deviate locally. Our theoretical and experimental findings show how the new pricing rule capitalizes on the upsides of existing pricing rules under scrutiny today. It leads to prices that incur low make-whole payments while providing adequate congestion signals and low lost opportunity costs. Our suggested pricing rule does not require weighing of objectives, it is computationally scalable, and balances trade-offs in a principled manner, addressing an important policy issue in electricity markets.

We are interested in the nonparametric estimation of the probability density of price returns, using the kernel approach. The output of the method heavily relies on the selection of a bandwidth parameter. Many selection methods have been proposed in the statistical literature. We put forward an alternative selection method based on a criterion coming from information theory and from the physics of complex systems: the bandwidth to be selected maximizes a new measure of complexity, with the aim of avoiding both overfitting and underfitting. We review existing methods of bandwidth selection and show that they lead to contradictory conclusions regarding the complexity of the probability distribution of price returns. This has also some striking consequences in the evaluation of the relevance of the efficient market hypothesis. We apply these methods to real financial data, focusing on the Bitcoin.

We propose enhancing trajectory optimization methods through the incorporation of two key ideas: variable-grasp pose sampling and trajectory commitment. Our iterative approach samples multiple grasp poses, increasing the likelihood of finding a solution while gradually narrowing the optimization horizon towards the goal region for improved computational efficiency. We conduct experiments comparing our approach with sampling-based planning and fixed-goal optimization. In simulated experiments featuring 4 different task scenes, our approach consistently outperforms baselines by generating lower-cost trajectories and achieving higher success rates in challenging constrained and cluttered environments, at the trade-off of longer computation times. Real-world experiments further validate the superiority of our approach in generating lower-cost trajectories and exhibiting enhanced robustness. While we acknowledge the limitations of our experimental design, our proposed approach holds significant potential for enhancing trajectory optimization methods and offers a promising solution for achieving consistent and reliable robotic manipulation.

Within the tensor singular value decomposition (T-SVD) framework, existing robust low-rank tensor completion approaches have made great achievements in various areas of science and engineering. Nevertheless, these methods involve the T-SVD based low-rank approximation, which suffers from high computational costs when dealing with large-scale tensor data. Moreover, most of them are only applicable to third-order tensors. Against these issues, in this article, two efficient low-rank tensor approximation approaches fusing randomized techniques are first devised under the order-d (d >= 3) T-SVD framework. On this basis, we then further investigate the robust high-order tensor completion (RHTC) problem, in which a double nonconvex model along with its corresponding fast optimization algorithms with convergence guarantees are developed. To the best of our knowledge, this is the first study to incorporate the randomized low-rank approximation into the RHTC problem. Empirical studies on large-scale synthetic and real tensor data illustrate that the proposed method outperforms other state-of-the-art approaches in terms of both computational efficiency and estimated precision.

Game-theoretic interactions with AI agents could differ from traditional human-human interactions in various ways. One such difference is that it may be possible to simulate an AI agent (for example because its source code is known), which allows others to accurately predict the agent's actions. This could lower the bar for trust and cooperation. In this paper, we formalize games in which one player can simulate another at a cost. We first derive some basic properties of such games and then prove a number of results for them, including: (1) introducing simulation into generic-payoff normal-form games makes them easier to solve; (2) if the only obstacle to cooperation is a lack of trust in the possibly-simulated agent, simulation enables equilibria that improve the outcome for both agents; and however (3) there are settings where introducing simulation results in strictly worse outcomes for both players.

Reasoning is a fundamental aspect of human intelligence that plays a crucial role in activities such as problem solving, decision making, and critical thinking. In recent years, large language models (LLMs) have made significant progress in natural language processing, and there is observation that these models may exhibit reasoning abilities when they are sufficiently large. However, it is not yet clear to what extent LLMs are capable of reasoning. This paper provides a comprehensive overview of the current state of knowledge on reasoning in LLMs, including techniques for improving and eliciting reasoning in these models, methods and benchmarks for evaluating reasoning abilities, findings and implications of previous research in this field, and suggestions on future directions. Our aim is to provide a detailed and up-to-date review of this topic and stimulate meaningful discussion and future work.

Classic machine learning methods are built on the $i.i.d.$ assumption that training and testing data are independent and identically distributed. However, in real scenarios, the $i.i.d.$ assumption can hardly be satisfied, rendering the sharp drop of classic machine learning algorithms' performances under distributional shifts, which indicates the significance of investigating the Out-of-Distribution generalization problem. Out-of-Distribution (OOD) generalization problem addresses the challenging setting where the testing distribution is unknown and different from the training. This paper serves as the first effort to systematically and comprehensively discuss the OOD generalization problem, from the definition, methodology, evaluation to the implications and future directions. Firstly, we provide the formal definition of the OOD generalization problem. Secondly, existing methods are categorized into three parts based on their positions in the whole learning pipeline, namely unsupervised representation learning, supervised model learning and optimization, and typical methods for each category are discussed in detail. We then demonstrate the theoretical connections of different categories, and introduce the commonly used datasets and evaluation metrics. Finally, we summarize the whole literature and raise some future directions for OOD generalization problem. The summary of OOD generalization methods reviewed in this survey can be found at //out-of-distribution-generalization.com.

Causal inference is a critical research topic across many domains, such as statistics, computer science, education, public policy and economics, for decades. Nowadays, estimating causal effect from observational data has become an appealing research direction owing to the large amount of available data and low budget requirement, compared with randomized controlled trials. Embraced with the rapidly developed machine learning area, various causal effect estimation methods for observational data have sprung up. In this survey, we provide a comprehensive review of causal inference methods under the potential outcome framework, one of the well known causal inference framework. The methods are divided into two categories depending on whether they require all three assumptions of the potential outcome framework or not. For each category, both the traditional statistical methods and the recent machine learning enhanced methods are discussed and compared. The plausible applications of these methods are also presented, including the applications in advertising, recommendation, medicine and so on. Moreover, the commonly used benchmark datasets as well as the open-source codes are also summarized, which facilitate researchers and practitioners to explore, evaluate and apply the causal inference methods.

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