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With the increasing amount of data available to scientists in disciplines as diverse as bioinformatics, physics, and remote sensing, scientific workflow systems are becoming increasingly important for composing and executing scalable data analysis pipelines. When writing such workflows, users need to specify the resources to be reserved for tasks so that sufficient resources are allocated on the target cluster infrastructure. Crucially, underestimating a task's memory requirements can result in task failures. Therefore, users often resort to overprovisioning, resulting in significant resource wastage and decreased throughput. In this paper, we propose a novel online method that uses monitoring time series data to predict task memory usage in order to reduce the memory wastage of scientific workflow tasks. Our method predicts a task's runtime, divides it into k equally-sized segments, and learns the peak memory value for each segment depending on the total file input size. We evaluate the prototype implementation of our method using workflows from the publicly available nf-core repository, showing an average memory wastage reduction of 29.48% compared to the best state-of-the-art approach

This study addresses a gap in the utilization of Reinforcement Learning (RL) and Machine Learning (ML) techniques in solving the Stochastic Vehicle Routing Problem (SVRP) that involves the challenging task of optimizing vehicle routes under uncertain conditions. We propose a novel end-to-end framework that comprehensively addresses the key sources of stochasticity in SVRP and utilizes an RL agent with a simple yet effective architecture and a tailored training method. Through comparative analysis, our proposed model demonstrates superior performance compared to a widely adopted state-of-the-art metaheuristic, achieving a significant 3.43% reduction in travel costs. Furthermore, the model exhibits robustness across diverse SVRP settings, highlighting its adaptability and ability to learn optimal routing strategies in varying environments. The publicly available implementation of our framework serves as a valuable resource for future research endeavors aimed at advancing RL-based solutions for SVRP.

Large-scale pretraining and instruction tuning have been successful for training general-purpose language models with broad competencies. However, extending to general-purpose vision-language models is challenging due to the distributional diversity in visual inputs. A recent line of work explores vision-language instruction tuning, taking inspiration from the Query Transformer (QFormer) approach proposed in BLIP-2 models for bridging frozen modalities. However, these approaches rely heavily on large-scale multi-modal pretraining for representation learning before eventual finetuning, incurring a huge computational overhead, poor scaling, and limited accessibility. To that end, we propose a more efficient method for QFormer-based vision-language alignment and demonstrate the effectiveness of our strategy compared to existing baselines in improving the efficiency of vision-language pretraining.

We define a new class of predicates called equilevel predicates on a distributive lattice which eases the analysis of parallel algorithms. Many combinatorial problems such as the vertex cover problem, the bipartite matching problem, and the minimum spanning tree problem can be modeled as detecting an equilevel predicate. The problem of detecting an equilevel problem is NP-complete, but equilevel predicates with the helpful property can be detected in polynomial time in an online manner. An equilevel predicate has the helpful property with a polynomial time algorithm if the algorithm can return a nonempty set of indices such that advancing on any of them can be used to detect the predicate. Furthermore, the refined independently helpful property allows online parallel detection of such predicates in NC. When the independently helpful property holds, advancing on all the specified indices in parallel can be used to detect the predicate in polylogarithmic time. We also define a special class of equilevel predicates called solitary predicates. Unless NP = RP, this class of predicate also does not admit efficient algorithms. Earlier work has shown that solitary predicates with the efficient advancement can be detected in polynomial time. We introduce two properties called the antimonotone advancement and the efficient rejection which yield the detection of solitary predicates in NC. Finally, we identify the minimum spanning tree, the shortest path, and the conjunctive predicate detection as problems satisfying such properties, giving alternative certifications of their NC memberships as a result.

With the rapid development of deep learning, training Big Models (BMs) for multiple downstream tasks becomes a popular paradigm. Researchers have achieved various outcomes in the construction of BMs and the BM application in many fields. At present, there is a lack of research work that sorts out the overall progress of BMs and guides the follow-up research. In this paper, we cover not only the BM technologies themselves but also the prerequisites for BM training and applications with BMs, dividing the BM review into four parts: Resource, Models, Key Technologies and Application. We introduce 16 specific BM-related topics in those four parts, they are Data, Knowledge, Computing System, Parallel Training System, Language Model, Vision Model, Multi-modal Model, Theory&Interpretability, Commonsense Reasoning, Reliability&Security, Governance, Evaluation, Machine Translation, Text Generation, Dialogue and Protein Research. In each topic, we summarize clearly the current studies and propose some future research directions. At the end of this paper, we conclude the further development of BMs in a more general view.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Graphical causal inference as pioneered by Judea Pearl arose from research on artificial intelligence (AI), and for a long time had little connection to the field of machine learning. This article discusses where links have been and should be established, introducing key concepts along the way. It argues that the hard open problems of machine learning and AI are intrinsically related to causality, and explains how the field is beginning to understand them.

Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.