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Generative models of observations under interventions have been a vibrant topic of interest across machine learning and the sciences in recent years. For example, in drug discovery, there is a need to model the effects of diverse interventions on cells in order to characterize unknown biological mechanisms of action. We propose the Sparse Additive Mechanism Shift Variational Autoencoder, SAMS-VAE, to combine compositionality, disentanglement, and interpretability for perturbation models. SAMS-VAE models the latent state of a perturbed sample as the sum of a local latent variable capturing sample-specific variation and sparse global variables of latent intervention effects. Crucially, SAMS-VAE sparsifies these global latent variables for individual perturbations to identify disentangled, perturbation-specific latent subspaces that are flexibly composable. We evaluate SAMS-VAE both quantitatively and qualitatively on a range of tasks using two popular single cell sequencing datasets. In order to measure perturbation-specific model-properties, we also introduce a framework for evaluation of perturbation models based on average treatment effects with links to posterior predictive checks. SAMS-VAE outperforms comparable models in terms of generalization across in-distribution and out-of-distribution tasks, including a combinatorial reasoning task under resource paucity, and yields interpretable latent structures which correlate strongly to known biological mechanisms. Our results suggest SAMS-VAE is an interesting addition to the modeling toolkit for machine learning-driven scientific discovery.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · 評論員 · 成比例 · Performance · Processing(編程語言) ·
2024 年 2 月 28 日

The roulette wheel selection is a critical process in heuristic algorithms, enabling the probabilistic choice of items based on assigned fitness values. It selects an item with a probability proportional to its fitness value. This technique is commonly employed in ant-colony algorithms to randomly determine the next city to visit when solving the traveling salesman problem. Our study focuses on parallel algorithms designed to select one of multiple processors, each associated with fitness values, using random wheel selection. We propose a novel approach called logarithmic random bidding, which achieves an expected runtime logarithmic to the number of processors with non-zero fitness values, using the CRCW-PRAM model with a shared memory of constant size. Notably, the logarithmic random bidding technique demonstrates efficient performance, particularly in scenarios where only a few processors are assigned non-zero fitness values.

Adversarial examples in machine learning has emerged as a focal point of research due to their remarkable ability to deceive models with seemingly inconspicuous input perturbations, potentially resulting in severe consequences. In this study, we undertake a thorough investigation into the emergence of adversarial examples, a phenomenon that can, in principle, manifest in a wide range of machine learning models. Through our research, we unveil a new notion termed computational entanglement, with its ability to entangle distant features, display perfect correlations or anti-correlations regardless to their spatial separation, significantly contributes to the emergence of adversarial examples. We illustrate how computational entanglement aligns with relativistic effects such as time dilation and length contraction to feature pair, ultimately resulting in the convergence of their angle differences and distances towards zero, signifying perfect correlation, or towards maximum, indicating perfect anti-correlation.

Bayesian optimization is a popular framework for efficiently finding high-quality solutions to difficult problems based on limited prior information. As a rule, these algorithms operate by iteratively choosing what to try next until some predefined budget has been exhausted. We investigate replacing this de facto stopping rule with an $(\epsilon, \delta)$-criterion: stop when a solution has been found whose value is within $\epsilon > 0$ of the optimum with probability at least $1 - \delta$ under the model. Given access to the prior distribution of problems, we show how to verify this condition in practice using a limited number of draws from the posterior. For Gaussian process priors, we prove that Bayesian optimization with the proposed criterion stops in finite time and returns a point that satisfies the $(\epsilon, \delta)$-criterion under mild assumptions. These findings are accompanied by extensive empirical results which demonstrate the strengths and weaknesses of this approach.

Interior point methods are widely used for different types of mathematical optimization problems. Many implementations of interior point methods in use today rely on direct linear solvers to solve systems of equations in each iteration. The need to solve ever larger optimization problems more efficiently and the rise of hardware accelerators for general purpose computing has led to a large interest in using iterative linear solvers instead, with the major issue being inevitable ill-conditioning of the linear systems arising as the optimization progresses. We investigate the use of Krylov solvers for interior point methods in solving optimization problems from radiation therapy and support vector machines. We implement a prototype interior point method using a so called doubly augmented formulation of the Karush-Kuhn-Tucker linear system of equations, originally proposed by Forsgren and Gill, and evaluate its performance on real optimization problems from radiation therapy and support vector machines. Crucially, our implementation uses a preconditioned conjugate gradient method with Jacobi preconditioning internally. Our measurements of the conditioning of the linear systems indicate that the Jacobi preconditioner improves the conditioning of the systems to a degree that they can be solved iteratively, but there is room for further improvement in that regard. Furthermore, profiling of our prototype code shows that it is suitable for GPU acceleration, which may further improve its performance in practice. Overall, our results indicate that our method can find solutions of acceptable accuracy in reasonable time, even with a simple Jacobi preconditioner.

We use Markov categories to develop generalizations of the theory of Markov chains and hidden Markov models in an abstract setting. This comprises characterizations of hidden Markov models in terms of local and global conditional independences as well as existing algorithms for Bayesian filtering and smoothing applicable in all Markov categories with conditionals. We show that these algorithms specialize to existing ones such as the Kalman filter, forward-backward algorithm, and the Rauch-Tung-Striebel smoother when instantiated in appropriate Markov categories. Under slightly stronger assumptions, we also prove that the sequence of outputs of the Bayes filter is itself a Markov chain with a concrete formula for its transition maps. There are two main features of this categorical framework. The first is its generality, as it can be used in any Markov category with conditionals. In particular, it provides a systematic unified account of hidden Markov models and algorithms for filtering and smoothing in discrete probability, Gaussian probability, measure-theoretic probability, possibilistic nondeterminism and others at the same time. The second feature is the intuitive visual representation of information flow in these algorithms in terms of string diagrams.

Recommender systems have seen significant advancements with the influence of deep learning and graph neural networks, particularly in capturing complex user-item relationships. However, these graph-based recommenders heavily depend on ID-based data, potentially disregarding valuable textual information associated with users and items, resulting in less informative learned representations. Moreover, the utilization of implicit feedback data introduces potential noise and bias, posing challenges for the effectiveness of user preference learning. While the integration of large language models (LLMs) into traditional ID-based recommenders has gained attention, challenges such as scalability issues, limitations in text-only reliance, and prompt input constraints need to be addressed for effective implementation in practical recommender systems. To address these challenges, we propose a model-agnostic framework RLMRec that aims to enhance existing recommenders with LLM-empowered representation learning. It proposes a recommendation paradigm that integrates representation learning with LLMs to capture intricate semantic aspects of user behaviors and preferences. RLMRec incorporates auxiliary textual signals, develops a user/item profiling paradigm empowered by LLMs, and aligns the semantic space of LLMs with the representation space of collaborative relational signals through a cross-view alignment framework. This work further establish a theoretical foundation demonstrating that incorporating textual signals through mutual information maximization enhances the quality of representations. In our evaluation, we integrate RLMRec with state-of-the-art recommender models, while also analyzing its efficiency and robustness to noise data. Our implementation codes are available at //github.com/HKUDS/RLMRec.

Although deep learning-based methods have shown great success in spatiotemporal predictive learning, the framework of those models is designed mainly by intuition. How to make spatiotemporal forecasting with theoretical guarantees is still a challenging issue. In this work, we tackle this problem by applying domain knowledge from the dynamical system to the framework design of deep learning models. An observer theory-guided deep learning architecture, called Spatiotemporal Observer, is designed for predictive learning of high dimensional data. The characteristics of the proposed framework are twofold: firstly, it provides the generalization error bound and convergence guarantee for spatiotemporal prediction; secondly, dynamical regularization is introduced to enable the model to learn system dynamics better during training. Further experimental results show that this framework could capture the spatiotemporal dynamics and make accurate predictions in both one-step-ahead and multi-step-ahead forecasting scenarios.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

We propose a new method for event extraction (EE) task based on an imitation learning framework, specifically, inverse reinforcement learning (IRL) via generative adversarial network (GAN). The GAN estimates proper rewards according to the difference between the actions committed by the expert (or ground truth) and the agent among complicated states in the environment. EE task benefits from these dynamic rewards because instances and labels yield to various extents of difficulty and the gains are expected to be diverse -- e.g., an ambiguous but correctly detected trigger or argument should receive high gains -- while the traditional RL models usually neglect such differences and pay equal attention on all instances. Moreover, our experiments also demonstrate that the proposed framework outperforms state-of-the-art methods, without explicit feature engineering.

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