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Managing data and code in open scientific research is complicated by two key problems: large datasets often cannot be stored alongside code in repository platforms like GitHub, and iterative analysis can lead to unnoticed changes to data, increasing the risk that analyses are based on older versions of data. Here, I introduce SciDataFlow: a fast, concurrent command-line tool paired with a simple Data Manifest specification. SciDataFlow streamlines tracking data changes, uploading data to remote repositories, and pulling in all data necessary to reproduce a computational analysis.

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Multi-agent collaboration with Large Language Models (LLMs) demonstrates proficiency in basic tasks, yet its efficiency in more complex scenarios remains unexplored. In gaming environments, these agents often face situations without established coordination protocols, requiring them to make intelligent inferences about teammates from limited data. This problem motivates the area of ad hoc teamwork, in which an agent may potentially cooperate with a variety of teammates to achieve a shared goal. Our study focuses on the ad hoc teamwork problem where the agent operates in an environment driven by natural language. Our findings reveal the potential of LLM agents in team collaboration, highlighting issues related to hallucinations in communication. To address this issue, we develop CodeAct, a general agent that equips LLM with enhanced memory and code-driven reasoning, enabling the repurposing of partial information for rapid adaptation to new teammates.

Quantifying the uncertainty of predictions is a core problem in modern statistics. Methods for predictive inference have been developed under a variety of assumptions, often -- for instance, in standard conformal prediction -- relying on the invariance of the distribution of the data under special groups of transformations such as permutation groups. Moreover, many existing methods for predictive inference aim to predict unobserved outcomes in sequences of feature-outcome observations. Meanwhile, there is interest in predictive inference under more general observation models (e.g., for partially observed features) and for data satisfying more general distributional symmetries (e.g., rotationally invariant or coordinate-independent observations in physics). Here we propose SymmPI, a methodology for predictive inference when data distributions have general group symmetries in arbitrary observation models. Our methods leverage the novel notion of distributional equivariant transformations, which process the data while preserving their distributional invariances. We show that SymmPI has valid coverage under distributional invariance and characterize its performance under distribution shift, recovering recent results as special cases. We apply SymmPI to predict unobserved values associated to vertices in a network, where the distribution is unchanged under relabelings that keep the network structure unchanged. In several simulations in a two-layer hierarchical model, and in an empirical data analysis example, SymmPI performs favorably compared to existing methods.

The use of transfer learning with deep neural networks has increasingly become widespread for deploying well-tested computer vision systems to newer domains, especially those with limited datasets. We describe a transfer learning use case for a domain with a data-starved regime, having fewer than 100 labeled target samples. We evaluate the effectiveness of convolutional feature extraction and fine-tuning of overparameterized models with respect to the size of target training data, as well as their generalization performance on data with covariate shift, or out-of-distribution (OOD) data. Our experiments demonstrate that both overparameterization and feature reuse contribute to the successful application of transfer learning in training image classifiers in data-starved regimes. We provide visual explanations to support our findings and conclude that transfer learning enhances the performance of CNN architectures in data-starved regimes.

Active learning has been demonstrated effective to reduce labeling cost, while most progress has been designed for image recognition, there still lacks instance-level active learning for object detection. In this paper, we rethink two key components, i.e., localization and recognition, for object detection, and find that the correctness of them are highly related, therefore, it is not necessary to annotate both boxes and classes if we are given pseudo annotations provided with the trained model. Motivated by this, we propose an efficient query strategy, termed as DeLR, that Decoupling the Localization and Recognition for active query. In this way, we are probably free of class annotations when the localization is correct, and able to assign the labeling budget for more informative samples. There are two main differences in DeLR: 1) Unlike previous methods mostly focus on image-level annotations, where the queried samples are selected and exhausted annotated. In DeLR, the query is based on region-level, and we only annotate the object region that is queried; 2) Instead of directly providing both localization and recognition annotations, we separately query the two components, and thus reduce the recognition budget with the pseudo class labels provided by the model. Experiments on several benchmarks demonstrate its superiority. We hope our proposed query strategy would shed light on researches in active learning in object detection.

Earth system forecasting has traditionally relied on complex physical models that are computationally expensive and require significant domain expertise. In the past decade, the unprecedented increase in spatiotemporal Earth observation data has enabled data-driven forecasting models using deep learning techniques. These models have shown promise for diverse Earth system forecasting tasks but either struggle with handling uncertainty or neglect domain-specific prior knowledge, resulting in averaging possible futures to blurred forecasts or generating physically implausible predictions. To address these limitations, we propose a two-stage pipeline for probabilistic spatiotemporal forecasting: 1) We develop PreDiff, a conditional latent diffusion model capable of probabilistic forecasts. 2) We incorporate an explicit knowledge alignment mechanism to align forecasts with domain-specific physical constraints. This is achieved by estimating the deviation from imposed constraints at each denoising step and adjusting the transition distribution accordingly. We conduct empirical studies on two datasets: N-body MNIST, a synthetic dataset with chaotic behavior, and SEVIR, a real-world precipitation nowcasting dataset. Specifically, we impose the law of conservation of energy in N-body MNIST and anticipated precipitation intensity in SEVIR. Experiments demonstrate the effectiveness of PreDiff in handling uncertainty, incorporating domain-specific prior knowledge, and generating forecasts that exhibit high operational utility.

We present a novel technique for modulating the appearance frequency of a few tokens within a dataset for encoding an invisible watermark that can be used to protect ownership rights upon data. We develop optimal as well as fast heuristic algorithms for creating and verifying such watermarks. We also demonstrate the robustness of our technique against various attacks and derive analytical bounds for the false positive probability of erroneously detecting a watermark on a dataset that does not carry it. Our technique is applicable to both single dimensional and multidimensional datasets, is independent of token type, allows for a fine control of the introduced distortion, and can be used in a variety of use cases that involve buying and selling data in contemporary data marketplaces.

The fusion of causal models with deep learning introducing increasingly intricate data sets, such as the causal associations within images or between textual components, has surfaced as a focal research area. Nonetheless, the broadening of original causal concepts and theories to such complex, non-statistical data has been met with serious challenges. In response, our study proposes redefinitions of causal data into three distinct categories from the standpoint of causal structure and representation: definite data, semi-definite data, and indefinite data. Definite data chiefly pertains to statistical data used in conventional causal scenarios, while semi-definite data refers to a spectrum of data formats germane to deep learning, including time-series, images, text, and others. Indefinite data is an emergent research sphere inferred from the progression of data forms by us. To comprehensively present these three data paradigms, we elaborate on their formal definitions, differences manifested in datasets, resolution pathways, and development of research. We summarize key tasks and achievements pertaining to definite and semi-definite data from myriad research undertakings, present a roadmap for indefinite data, beginning with its current research conundrums. Lastly, we classify and scrutinize the key datasets presently utilized within these three paradigms.

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.

Classical machine learning implicitly assumes that labels of the training data are sampled from a clean distribution, which can be too restrictive for real-world scenarios. However, statistical learning-based methods may not train deep learning models robustly with these noisy labels. Therefore, it is urgent to design Label-Noise Representation Learning (LNRL) methods for robustly training deep models with noisy labels. To fully understand LNRL, we conduct a survey study. We first clarify a formal definition for LNRL from the perspective of machine learning. Then, via the lens of learning theory and empirical study, we figure out why noisy labels affect deep models' performance. Based on the theoretical guidance, we categorize different LNRL methods into three directions. Under this unified taxonomy, we provide a thorough discussion of the pros and cons of different categories. More importantly, we summarize the essential components of robust LNRL, which can spark new directions. Lastly, we propose possible research directions within LNRL, such as new datasets, instance-dependent LNRL, and adversarial LNRL. Finally, we envision potential directions beyond LNRL, such as learning with feature-noise, preference-noise, domain-noise, similarity-noise, graph-noise, and demonstration-noise.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.

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