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Messenger RNA-based medicines hold immense potential, as evidenced by their rapid deployment as COVID-19 vaccines. However, worldwide distribution of mRNA molecules has been limited by their thermostability, which is fundamentally limited by the intrinsic instability of RNA molecules to a chemical degradation reaction called in-line hydrolysis. Predicting the degradation of an RNA molecule is a key task in designing more stable RNA-based therapeutics. Here, we describe a crowdsourced machine learning competition ("Stanford OpenVaccine") on Kaggle, involving single-nucleotide resolution measurements on 6043 102-130-nucleotide diverse RNA constructs that were themselves solicited through crowdsourcing on the RNA design platform Eterna. The entire experiment was completed in less than 6 months. Winning models demonstrated test set errors that were better by 50% than the previous state-of-the-art DegScore model. Furthermore, these models generalized to blindly predicting orthogonal degradation data on much longer mRNA molecules (504-1588 nucleotides) with improved accuracy over DegScore and other models. Top teams integrated natural language processing architectures and data augmentation techniques with predictions from previous dynamic programming models for RNA secondary structure. These results indicate that such models are capable of representing in-line hydrolysis with excellent accuracy, supporting their use for designing stabilized messenger RNAs. The integration of two crowdsourcing platforms, one for data set creation and another for machine learning, may be fruitful for other urgent problems that demand scientific discovery on rapid timescales.

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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: · 機器學習建模 · Networking · INFORMS · Better ·
2021 年 12 月 2 日

This work presents Reliable-NIDS (R-NIDS), a novel methodology for Machine Learning (ML) based Network Intrusion Detection Systems (NIDSs) that allows ML models to work on integrated datasets, empowering the learning process with diverse information from different datasets. Therefore, R-NIDS targets the design of more robust models, that generalize better than traditional approaches. We also propose a new dataset, called UNK21. It is built from three of the most well-known network datasets (UGR'16, USNW-NB15 and NLS-KDD), each one gathered from its own network environment, with different features and classes, by using a data aggregation approach present in R-NIDS. Following R-NIDS, in this work we propose to build two well-known ML models (a linear and a non-linear one) based on the information of three of the most common datasets in the literature for NIDS evaluation, those integrated in UNK21. The results that the proposed methodology offers show how these two ML models trained as a NIDS solution could benefit from this approach, being able to generalize better when training on the newly proposed UNK21 dataset. Furthermore, these results are carefully analyzed with statistical tools that provide high confidence on our conclusions.

Spatio-temporal forecasting has numerous applications in analyzing wireless, traffic, and financial networks. Many classical statistical models often fall short in handling the complexity and high non-linearity present in time-series data. Recent advances in deep learning allow for better modelling of spatial and temporal dependencies. While most of these models focus on obtaining accurate point forecasts, they do not characterize the prediction uncertainty. In this work, we consider the time-series data as a random realization from a nonlinear state-space model and target Bayesian inference of the hidden states for probabilistic forecasting. We use particle flow as the tool for approximating the posterior distribution of the states, as it is shown to be highly effective in complex, high-dimensional settings. Thorough experimentation on several real world time-series datasets demonstrates that our approach provides better characterization of uncertainty while maintaining comparable accuracy to the state-of-the art point forecasting methods.

Many real-world applications require the prediction of long sequence time-series, such as electricity consumption planning. Long sequence time-series forecasting (LSTF) demands a high prediction capacity of the model, which is the ability to capture precise long-range dependency coupling between output and input efficiently. Recent studies have shown the potential of Transformer to increase the prediction capacity. However, there are several severe issues with Transformer that prevent it from being directly applicable to LSTF, such as quadratic time complexity, high memory usage, and inherent limitation of the encoder-decoder architecture. To address these issues, we design an efficient transformer-based model for LSTF, named Informer, with three distinctive characteristics: (i) a $ProbSparse$ Self-attention mechanism, which achieves $O(L \log L)$ in time complexity and memory usage, and has comparable performance on sequences' dependency alignment. (ii) the self-attention distilling highlights dominating attention by halving cascading layer input, and efficiently handles extreme long input sequences. (iii) the generative style decoder, while conceptually simple, predicts the long time-series sequences at one forward operation rather than a step-by-step way, which drastically improves the inference speed of long-sequence predictions. Extensive experiments on four large-scale datasets demonstrate that Informer significantly outperforms existing methods and provides a new solution to the LSTF problem.

Knowledge graphs (KGs) are of great importance to many real world applications, but they generally suffer from incomplete information in the form of missing relations between entities. Knowledge graph completion (also known as relation prediction) is the task of inferring missing facts given existing ones. Most of the existing work is proposed by maximizing the likelihood of observed instance-level triples. Not much attention, however, is paid to the ontological information, such as type information of entities and relations. In this work, we propose a type-augmented relation prediction (TaRP) method, where we apply both the type information and instance-level information for relation prediction. In particular, type information and instance-level information are encoded as prior probabilities and likelihoods of relations respectively, and are combined by following Bayes' rule. Our proposed TaRP method achieves significantly better performance than state-of-the-art methods on three benchmark datasets: FB15K, YAGO26K-906, and DB111K-174. In addition, we show that TaRP achieves significantly improved data efficiency. More importantly, the type information extracted from a specific dataset can generalize well to other datasets through the proposed TaRP model.

In many applications, such as recommender systems, online advertising, and product search, click-through rate (CTR) prediction is a critical task, because its accuracy has a direct impact on both platform revenue and user experience. In recent years, with the prevalence of deep learning, CTR prediction has been widely studied in both academia and industry, resulting in an abundance of deep CTR models. Unfortunately, there is still a lack of a standardized benchmark and uniform evaluation protocols for CTR prediction. This leads to the non-reproducible and even inconsistent experimental results among these studies. In this paper, we present an open benchmark (namely FuxiCTR) for reproducible research and provide a rigorous comparison of different models for CTR prediction. Specifically, we ran over 4,600 experiments for a total of more than 12,000 GPU hours in a uniform framework to re-evaluate 24 existing models on two widely-used datasets, Criteo and Avazu. Surprisingly, our experiments show that many models have smaller differences than expected and sometimes are even inconsistent with what reported in the literature. We believe that our benchmark could not only allow researchers to gauge the effectiveness of new models conveniently, but also share some good practices to fairly compare with the state of the arts. We will release all the code and benchmark settings.

Deep learning-based semi-supervised learning (SSL) algorithms have led to promising results in medical images segmentation and can alleviate doctors' expensive annotations by leveraging unlabeled data. However, most of the existing SSL algorithms in literature tend to regularize the model training by perturbing networks and/or data. Observing that multi/dual-task learning attends to various levels of information which have inherent prediction perturbation, we ask the question in this work: can we explicitly build task-level regularization rather than implicitly constructing networks- and/or data-level perturbation-and-transformation for SSL? To answer this question, we propose a novel dual-task-consistency semi-supervised framework for the first time. Concretely, we use a dual-task deep network that jointly predicts a pixel-wise segmentation map and a geometry-aware level set representation of the target. The level set representation is converted to an approximated segmentation map through a differentiable task transform layer. Simultaneously, we introduce a dual-task consistency regularization between the level set-derived segmentation maps and directly predicted segmentation maps for both labeled and unlabeled data. Extensive experiments on two public datasets show that our method can largely improve the performance by incorporating the unlabeled data. Meanwhile, our framework outperforms the state-of-the-art semi-supervised medical image segmentation methods. Code is available at: //github.com/Luoxd1996/DTC

We present a novel language representation model enhanced by knowledge called ERNIE (Enhanced Representation through kNowledge IntEgration). Inspired by the masking strategy of BERT, ERNIE is designed to learn language representation enhanced by knowledge masking strategies, which includes entity-level masking and phrase-level masking. Entity-level strategy masks entities which are usually composed of multiple words.Phrase-level strategy masks the whole phrase which is composed of several words standing together as a conceptual unit.Experimental results show that ERNIE outperforms other baseline methods, achieving new state-of-the-art results on five Chinese natural language processing tasks including natural language inference, semantic similarity, named entity recognition, sentiment analysis and question answering. We also demonstrate that ERNIE has more powerful knowledge inference capacity on a cloze test.

In many applications, it is important to characterize the way in which two concepts are semantically related. Knowledge graphs such as ConceptNet provide a rich source of information for such characterizations by encoding relations between concepts as edges in a graph. When two concepts are not directly connected by an edge, their relationship can still be described in terms of the paths that connect them. Unfortunately, many of these paths are uninformative and noisy, which means that the success of applications that use such path features crucially relies on their ability to select high-quality paths. In existing applications, this path selection process is based on relatively simple heuristics. In this paper we instead propose to learn to predict path quality from crowdsourced human assessments. Since we are interested in a generic task-independent notion of quality, we simply ask human participants to rank paths according to their subjective assessment of the paths' naturalness, without attempting to define naturalness or steering the participants towards particular indicators of quality. We show that a neural network model trained on these assessments is able to predict human judgments on unseen paths with near optimal performance. Most notably, we find that the resulting path selection method is substantially better than the current heuristic approaches at identifying meaningful paths.

Dynamic topic models (DTMs) model the evolution of prevalent themes in literature, online media, and other forms of text over time. DTMs assume that word co-occurrence statistics change continuously and therefore impose continuous stochastic process priors on their model parameters. These dynamical priors make inference much harder than in regular topic models, and also limit scalability. In this paper, we present several new results around DTMs. First, we extend the class of tractable priors from Wiener processes to the generic class of Gaussian processes (GPs). This allows us to explore topics that develop smoothly over time, that have a long-term memory or are temporally concentrated (for event detection). Second, we show how to perform scalable approximate inference in these models based on ideas around stochastic variational inference and sparse Gaussian processes. This way we can train a rich family of DTMs to massive data. Our experiments on several large-scale datasets show that our generalized model allows us to find interesting patterns that were not accessible by previous approaches.

Tumor growth is associated with cell invasion and mass-effect, which are traditionally formulated by mathematical models, namely reaction-diffusion equations and biomechanics. Such models can be personalized based on clinical measurements to build the predictive models for tumor growth. In this paper, we investigate the possibility of using deep convolutional neural networks (ConvNets) to directly represent and learn the cell invasion and mass-effect, and to predict the subsequent involvement regions of a tumor. The invasion network learns the cell invasion from information related to metabolic rate, cell density and tumor boundary derived from multimodal imaging data. The expansion network models the mass-effect from the growing motion of tumor mass. We also study different architectures that fuse the invasion and expansion networks, in order to exploit the inherent correlations among them. Our network can easily be trained on population data and personalized to a target patient, unlike most previous mathematical modeling methods that fail to incorporate population data. Quantitative experiments on a pancreatic tumor data set show that the proposed method substantially outperforms a state-of-the-art mathematical model-based approach in both accuracy and efficiency, and that the information captured by each of the two subnetworks are complementary.

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