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Recent statistical and reinforcement learning methods have significantly advanced patient care strategies. However, these approaches face substantial challenges in high-stakes contexts, including missing data, inherent stochasticity, and the critical requirements for interpretability and patient safety. Our work operationalizes a safe and interpretable framework to identify optimal treatment regimes. This approach involves matching patients with similar medical and pharmacological characteristics, allowing us to construct an optimal policy via interpolation. We perform a comprehensive simulation study to demonstrate the framework's ability to identify optimal policies even in complex settings. Ultimately, we operationalize our approach to study regimes for treating seizures in critically ill patients. Our findings strongly support personalized treatment strategies based on a patient's medical history and pharmacological features. Notably, we identify that reducing medication doses for patients with mild and brief seizure episodes while adopting aggressive treatment for patients in intensive care unit experiencing intense seizures leads to more favorable outcomes.

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Understanding how language model performance varies with scale is critical to benchmark and algorithm development. Scaling laws are one approach to building this understanding, but the requirement of training models across many different scales has limited their use. We propose an alternative, observational approach that bypasses model training and instead builds scaling laws from ~80 publically available models. Building a single scaling law from multiple model families is challenging due to large variations in their training compute efficiencies and capabilities. However, we show that these variations are consistent with a simple, generalized scaling law where language model performance is a function of a low-dimensional capability space, and model families only vary in their efficiency in converting training compute to capabilities. Using this approach, we show the surprising predictability of complex scaling phenomena: we show that several emergent phenomena follow a smooth, sigmoidal behavior and are predictable from small models; we show that the agent performance of models such as GPT-4 can be precisely predicted from simpler non-agentic benchmarks; and we show how to predict the impact of post-training interventions like Chain-of-Thought and Self-Consistency as language model capabilities continue to improve.

Recent innovations from machine learning allow for data unfolding, without binning and including correlations across many dimensions. We describe a set of known, upgraded, and new methods for ML-based unfolding. The performance of these approaches are evaluated on the same two datasets. We find that all techniques are capable of accurately reproducing the particle-level spectra across complex observables. Given that these approaches are conceptually diverse, they offer an exciting toolkit for a new class of measurements that can probe the Standard Model with an unprecedented level of detail and may enable sensitivity to new phenomena.

We investigate the learning of implicit neural representation (INR) using an overparameterized multilayer perceptron (MLP) via a novel nonparametric teaching perspective. The latter offers an efficient example selection framework for teaching nonparametrically defined (viz. non-closed-form) target functions, such as image functions defined by 2D grids of pixels. To address the costly training of INRs, we propose a paradigm called Implicit Neural Teaching (INT) that treats INR learning as a nonparametric teaching problem, where the given signal being fitted serves as the target function. The teacher then selects signal fragments for iterative training of the MLP to achieve fast convergence. By establishing a connection between MLP evolution through parameter-based gradient descent and that of function evolution through functional gradient descent in nonparametric teaching, we show for the first time that teaching an overparameterized MLP is consistent with teaching a nonparametric learner. This new discovery readily permits a convenient drop-in of nonparametric teaching algorithms to broadly enhance INR training efficiency, demonstrating 30%+ training time savings across various input modalities.

Ensuring data privacy in machine learning models is critical, particularly in distributed settings where model gradients are typically shared among multiple parties to allow collaborative learning. Motivated by the increasing success of recovering input data from the gradients of classical models, this study addresses a central question: How hard is it to recover the input data from the gradients of quantum machine learning models? Focusing on variational quantum circuits (VQC) as learning models, we uncover the crucial role played by the dynamical Lie algebra (DLA) of the VQC ansatz in determining privacy vulnerabilities. While the DLA has previously been linked to the classical simulatability and trainability of VQC models, this work, for the first time, establishes its connection to the privacy of VQC models. In particular, we show that properties conducive to the trainability of VQCs, such as a polynomial-sized DLA, also facilitate the extraction of detailed snapshots of the input. We term this a weak privacy breach, as the snapshots enable training VQC models for distinct learning tasks without direct access to the original input. Further, we investigate the conditions for a strong privacy breach where the original input data can be recovered from these snapshots by classical or quantum-assisted polynomial time methods. We establish conditions on the encoding map such as classical simulatability, overlap with DLA basis, and its Fourier frequency characteristics that enable such a privacy breach of VQC models. Our findings thus play a crucial role in detailing the prospects of quantum privacy advantage by guiding the requirements for designing quantum machine learning models that balance trainability with robust privacy protection.

Since the seminal work by Angluin, active learning of automata, by membership and equivalence queries, has been extensively studied and several generalisations have been developed to learn various extensions of automata. For weighted automata, restricted cases have been tackled in the literature and in this paper we chart the boundaries of the Angluin approach (using a class of hypothesis automata constructed from membership and equivalence queries) applied to learning weighted automata over a general semiring. We show precisely the theoretical limitations of this approach and classify functions with respect to how guessable they are (corresponding to the existence and abundance of solutions of certain systems of equations). We provide a syntactic description of the boundary condition for a correct hypothesis of the prescribed form to exist. Of course, from an algorithmic standpoint, knowing that (many) solutions exist need not translate into an effective algorithm to find one; we conclude with a discussion of some known conditions (and variants thereof) that suffice to ensure this, illustrating the ideas over several familiar semirings (including the natural numbers) and pose some open questions for future research.

Heavy communication, in particular, collective operations, can become a critical performance bottleneck in scaling the training of billion-parameter neural networks to large-scale parallel systems. This paper introduces a four-dimensional (4D) approach to optimize communication in parallel training. This 4D approach is a hybrid of 3D tensor and data parallelism, and is implemented in the AxoNN framework. In addition, we employ two key strategies to further minimize communication overheads. First, we aggressively overlap expensive collective operations (reduce-scatter, all-gather, and all-reduce) with computation. Second, we develop an analytical model to identify high-performing configurations within the large search space defined by our 4D algorithm. This model empowers practitioners by simplifying the tuning process for their specific training workloads. When training an 80-billion parameter GPT on 1024 GPUs of Perlmutter, AxoNN surpasses Megatron-LM, a state-of-the-art framework, by a significant 26%. Additionally, it achieves a significantly high 57% of the theoretical peak FLOP/s or 182 PFLOP/s in total.

Due to their increasing spread, confidence in neural network predictions became more and more important. However, basic neural networks do not deliver certainty estimates or suffer from over or under confidence. Many researchers have been working on understanding and quantifying uncertainty in a neural network's prediction. As a result, different types and sources of uncertainty have been identified and a variety of approaches to measure and quantify uncertainty in neural networks have been proposed. This work gives a comprehensive overview of uncertainty estimation in neural networks, reviews recent advances in the field, highlights current challenges, and identifies potential research opportunities. It is intended to give anyone interested in uncertainty estimation in neural networks a broad overview and introduction, without presupposing prior knowledge in this field. A comprehensive introduction to the most crucial sources of uncertainty is given and their separation into reducible model uncertainty and not reducible data uncertainty is presented. The modeling of these uncertainties based on deterministic neural networks, Bayesian neural networks, ensemble of neural networks, and test-time data augmentation approaches is introduced and different branches of these fields as well as the latest developments are discussed. For a practical application, we discuss different measures of uncertainty, approaches for the calibration of neural networks and give an overview of existing baselines and implementations. Different examples from the wide spectrum of challenges in different fields give an idea of the needs and challenges regarding uncertainties in practical applications. Additionally, the practical limitations of current methods for mission- and safety-critical real world applications are discussed and an outlook on the next steps towards a broader usage of such methods is given.

Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.

Deep convolutional neural networks (CNNs) have recently achieved great success in many visual recognition tasks. However, existing deep neural network models are computationally expensive and memory intensive, hindering their deployment in devices with low memory resources or in applications with strict latency requirements. Therefore, a natural thought is to perform model compression and acceleration in deep networks without significantly decreasing the model performance. During the past few years, tremendous progress has been made in this area. In this paper, we survey the recent advanced techniques for compacting and accelerating CNNs model developed. These techniques are roughly categorized into four schemes: parameter pruning and sharing, low-rank factorization, transferred/compact convolutional filters, and knowledge distillation. Methods of parameter pruning and sharing will be described at the beginning, after that the other techniques will be introduced. For each scheme, we provide insightful analysis regarding the performance, related applications, advantages, and drawbacks etc. Then we will go through a few very recent additional successful methods, for example, dynamic capacity networks and stochastic depths networks. After that, we survey the evaluation matrix, the main datasets used for evaluating the model performance and recent benchmarking efforts. Finally, we conclude this paper, discuss remaining challenges and possible directions on this topic.

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