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This paper proposes a computational approach to form-find pin-jointed, bar structures subjected to combinations of tension and compression forces. The generated equilibrium states can meet force and geometric constraints via gradient-based optimization. We achieve this by extending the Combinatorial Equilibrium Modeling (CEM) framework in three important ways. Firstly, we introduce a new topological object, the auxiliary trail, to expand the range of structures that can be form-found with the framework. Secondly, we leverage automatic differentiation (AD) to obtain an exact value of the gradient of the sequential and iterative calculations of the CEM form-finding algorithm, instead of a numerical approximation. We finally encapsulate our research developments into an open-source design tool written in Python that is usable across different CAD platforms and operating systems. After studying four different structures -- a self-stressed planar tensegrity, a tree canopy, a curved suspension bridge, and a spiral staircase -- we show that our approach allows solving constrained form-finding problems on a diverse range of structures more efficiently than in previous work.

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The Mat\'ern covariance function is ubiquitous in the application of Gaussian processes to spatial statistics and beyond. Perhaps the most important reason for this is that the smoothness parameter $\nu$ gives complete control over the mean-square differentiability of the process, which has significant implications for the behavior of estimated quantities such as interpolants and forecasts. Unfortunately, derivatives of the Mat\'ern covariance function with respect to $\nu$ require derivatives of the modified second-kind Bessel function $\mathcal{K}_\nu$ with respect to $\nu$. While closed form expressions of these derivatives do exist, they are prohibitively difficult and expensive to compute. For this reason, many software packages require fixing $\nu$ as opposed to estimating it, and all existing software packages that attempt to offer the functionality of estimating $\nu$ use finite difference estimates for $\partial_\nu \mathcal{K}_\nu$. In this work, we introduce a new implementation of $\mathcal{K}_\nu$ that has been designed to provide derivatives via automatic differentiation (AD), and whose resulting derivatives are significantly faster and more accurate than those computed using finite differences. We provide comprehensive testing for both speed and accuracy and show that our AD solution can be used to build accurate Hessian matrices for second-order maximum likelihood estimation in settings where Hessians built with finite difference approximations completely fail.

A smooth and strictly convex function on an open convex domain induces both (1) a Hessian manifold with respect to the standard flat Euclidean connection, and (2) a dually flat space of information geometry. We first review these constructions and illustrate how to instantiate them for (a) full regular exponential families from their partition functions, (b) regular homogeneous cones from their characteristic functions, and (c) mixture families from their Shannon negentropy functions. Although these structures can be explicitly built for many common examples of the first two classes, the differential entropy of a continuous statistical mixture with distinct prescribed density components sharing the same support is hitherto not known in closed form, hence forcing implementations of mixture family manifolds in practice using Monte Carlo sampling. In this work, we report a notable exception: The family of mixtures defined as the convex combination of two prescribed and distinct Cauchy distributions. As a byproduct, we report closed-form formula for the Jensen-Shannon divergence between two mixtures of two prescribed Cauchy components.

Fragment-based shape signature techniques have proven to be powerful tools for computer-aided drug design. They allow scientists to search for target molecules with some similarity to a known active compound. They do not require reference to the full underlying chemical structure, which is essential to deal with chemical databases containing millions of compounds. However, finding the optimal match of a part of the fragmented compound can be time-consuming. In this paper, we use constraint programming to solve this specific problem. It involves finding a weighted assignment of fragments subject to connectivity constraints. Our experiments demonstrate the practical relevance of our approach and open new perspectives, including generating multiple, diverse solutions. Our approach constitutes an original use of a constraint solver in a real time setting, where propagation allows to avoid an enumeration of weighted paths. The model must remain robust to the addition of constraints making some instances not tractable. This particular context requires the use of unusual criteria for the choice of the model: lightweight, standard propagation algorithms, data structures without prohibitive constant cost. The objective is not to design new, complex algorithms to solve difficult instances.

We study constrained reinforcement learning (CRL) from a novel perspective by setting constraints directly on state density functions, rather than the value functions considered by previous works. State density has a clear physical and mathematical interpretation, and is able to express a wide variety of constraints such as resource limits and safety requirements. Density constraints can also avoid the time-consuming process of designing and tuning cost functions required by value function-based constraints to encode system specifications. We leverage the duality between density functions and Q functions to develop an effective algorithm to solve the density constrained RL problem optimally and the constrains are guaranteed to be satisfied. We prove that the proposed algorithm converges to a near-optimal solution with a bounded error even when the policy update is imperfect. We use a set of comprehensive experiments to demonstrate the advantages of our approach over state-of-the-art CRL methods, with a wide range of density constrained tasks as well as standard CRL benchmarks such as Safety-Gym.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

In real world settings, numerous constraints are present which are hard to specify mathematically. However, for the real world deployment of reinforcement learning (RL), it is critical that RL agents are aware of these constraints, so that they can act safely. In this work, we consider the problem of learning constraints from demonstrations of a constraint-abiding agent's behavior. We experimentally validate our approach and show that our framework can successfully learn the most likely constraints that the agent respects. We further show that these learned constraints are \textit{transferable} to new agents that may have different morphologies and/or reward functions. Previous works in this regard have either mainly been restricted to tabular (discrete) settings, specific types of constraints or assume the environment's transition dynamics. In contrast, our framework is able to learn arbitrary \textit{Markovian} constraints in high-dimensions in a completely model-free setting. The code can be found it: \url{//github.com/shehryar-malik/icrl}.

Solving complex, temporally-extended tasks is a long-standing problem in reinforcement learning (RL). We hypothesize that one critical element of solving such problems is the notion of compositionality. With the ability to learn concepts and sub-skills that can be composed to solve longer tasks, i.e. hierarchical RL, we can acquire temporally-extended behaviors. However, acquiring effective yet general abstractions for hierarchical RL is remarkably challenging. In this paper, we propose to use language as the abstraction, as it provides unique compositional structure, enabling fast learning and combinatorial generalization, while retaining tremendous flexibility, making it suitable for a variety of problems. Our approach learns an instruction-following low-level policy and a high-level policy that can reuse abstractions across tasks, in essence, permitting agents to reason using structured language. To study compositional task learning, we introduce an open-source object interaction environment built using the MuJoCo physics engine and the CLEVR engine. We find that, using our approach, agents can learn to solve to diverse, temporally-extended tasks such as object sorting and multi-object rearrangement, including from raw pixel observations. Our analysis find that the compositional nature of language is critical for learning diverse sub-skills and systematically generalizing to new sub-skills in comparison to non-compositional abstractions that use the same supervision.

The ability to generate natural language sequences from source code snippets has a variety of applications such as code summarization, documentation, and retrieval. Sequence-to-sequence (seq2seq) models, adopted from neural machine translation (NMT), have achieved state-of-the-art performance on these tasks by treating source code as a sequence of tokens. We present ${\rm {\scriptsize CODE2SEQ}}$: an alternative approach that leverages the syntactic structure of programming languages to better encode source code. Our model represents a code snippet as the set of compositional paths in its abstract syntax tree (AST) and uses attention to select the relevant paths while decoding. We demonstrate the effectiveness of our approach for two tasks, two programming languages, and four datasets of up to $16$M examples. Our model significantly outperforms previous models that were specifically designed for programming languages, as well as state-of-the-art NMT models. An interactive online demo of our model is available at //code2seq.org. Our code, data and trained models are available at //github.com/tech-srl/code2seq.

This paper proposes a Reinforcement Learning (RL) algorithm to synthesize policies for a Markov Decision Process (MDP), such that a linear time property is satisfied. We convert the property into a Limit Deterministic Buchi Automaton (LDBA), then construct a product MDP between the automaton and the original MDP. A reward function is then assigned to the states of the product automaton, according to accepting conditions of the LDBA. With this reward function, our algorithm synthesizes a policy that satisfies the linear time property: as such, the policy synthesis procedure is "constrained" by the given specification. Additionally, we show that the RL procedure sets up an online value iteration method to calculate the maximum probability of satisfying the given property, at any given state of the MDP - a convergence proof for the procedure is provided. Finally, the performance of the algorithm is evaluated via a set of numerical examples. We observe an improvement of one order of magnitude in the number of iterations required for the synthesis compared to existing approaches.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.

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