亚洲男人的天堂2018av,欧美草比,久久久久久免费视频精选,国色天香在线看免费,久久久久亚洲av成人片仓井空

Molecular docking is critical to structure-based virtual screening, yet the throughput of such workflows is limited by the expensive optimization of scoring functions involved in most docking algorithms. We explore how machine learning can accelerate this process by learning a scoring function with a functional form that allows for more rapid optimization. Specifically, we define the scoring function to be the cross-correlation of multi-channel ligand and protein scalar fields parameterized by equivariant graph neural networks, enabling rapid optimization over rigid-body degrees of freedom with fast Fourier transforms. The runtime of our approach can be amortized at several levels of abstraction, and is particularly favorable for virtual screening settings with a common binding pocket. We benchmark our scoring functions on two simplified docking-related tasks: decoy pose scoring and rigid conformer docking. Our method attains similar but faster performance on crystal structures compared to the widely-used Vina and Gnina scoring functions, and is more robust on computationally predicted structures. Code is available at //github.com/bjing2016/scalar-fields.

Trajectory-User Linking (TUL) is crucial for human mobility modeling by linking diferent trajectories to users with the exploration of complex mobility patterns. Existing works mainly rely on the recurrent neural framework to encode the temporal dependencies in trajectories, have fall short in capturing spatial-temporal global context for TUL prediction. To ill this gap, this work presents a new hierarchical spatio-temporal attention neural network, called AttnTUL, to jointly encode the local trajectory transitional patterns and global spatial dependencies for TUL. Speciically, our irst model component is built over the graph neural architecture to preserve the local and global context and enhance the representation paradigm of geographical regions and user trajectories. Additionally, a hierarchically structured attention network is designed to simultaneously encode the intra-trajectory and inter-trajectory dependencies, with the integration of the temporal attention mechanism and global elastic attentional encoder. Extensive experiments demonstrate the superiority of our AttnTUL method as compared to state-of-the-art baselines on various trajectory datasets. The source code of our model is available at //github.com/Onedean/AttnTUL.

With the increasing availability of depth sensors, multimodal frameworks that combine color information with depth data are gaining interest. However, ground truth data for semantic segmentation is burdensome to provide, thus making domain adaptation a significant research area. Yet most domain adaptation methods are not able to effectively handle multimodal data. Specifically, we address the challenging source-free domain adaptation setting where the adaptation is performed without reusing source data. We propose MISFIT: MultImodal Source-Free Information fusion Transformer, a depth-aware framework which injects depth data into a segmentation module based on vision transformers at multiple stages, namely at the input, feature and output levels. Color and depth style transfer helps early-stage domain alignment while re-wiring self-attention between modalities creates mixed features, allowing the extraction of better semantic content. Furthermore, a depth-based entropy minimization strategy is also proposed to adaptively weight regions at different distances. Our framework, which is also the first approach using RGB-D vision transformers for source-free semantic segmentation, shows noticeable performance improvements with respect to standard strategies.

In-context learning (ICL) using large language models for tasks with many labels is challenging due to the limited context window, which makes it difficult to fit a sufficient number of examples in the prompt. In this paper, we use a pre-trained dense retrieval model to bypass this limitation, giving the model only a partial view of the full label space for each inference call. Testing with recent open-source LLMs (OPT, LLaMA), we set new state of the art performance in few-shot settings for three common intent classification datasets, with no finetuning. We also surpass fine-tuned performance on fine-grained sentiment classification in certain cases. We analyze the performance across number of in-context examples and different model scales, showing that larger models are necessary to effectively and consistently make use of larger context lengths for ICL. By running several ablations, we analyze the model's use of: a) the similarity of the in-context examples to the current input, b) the semantic content of the class names, and c) the correct correspondence between examples and labels. We demonstrate that all three are needed to varying degrees depending on the domain, contrary to certain recent works.

We propose and deploy an approach to continually train an instruction-following agent from feedback provided by users during collaborative interactions. During interaction, human users instruct an agent using natural language, and provide realtime binary feedback as they observe the agent following their instructions. We design a contextual bandit learning approach, converting user feedback to immediate reward. We evaluate through thousands of human-agent interactions, demonstrating 15.4% absolute improvement in instruction execution accuracy over time. We also show our approach is robust to several design variations, and that the feedback signal is roughly equivalent to the learning signal of supervised demonstration data.

Autonomic computing investigates how systems can achieve (user) specified control outcomes on their own, without the intervention of a human operator. Autonomic computing fundamentals have been substantially influenced by those of control theory for closed and open-loop systems. In practice, complex systems may exhibit a number of concurrent and inter-dependent control loops. Despite research into autonomic models for managing computer resources, ranging from individual resources (e.g., web servers) to a resource ensemble (e.g., multiple resources within a data center), research into integrating Artificial Intelligence (AI) and Machine Learning (ML) to improve resource autonomy and performance at scale continues to be a fundamental challenge. The integration of AI/ML to achieve such autonomic and self-management of systems can be achieved at different levels of granularity, from full to human-in-the-loop automation. In this article, leading academics, researchers, practitioners, engineers, and scientists in the fields of cloud computing, AI/ML, and quantum computing join to discuss current research and potential future directions for these fields. Further, we discuss challenges and opportunities for leveraging AI and ML in next generation computing for emerging computing paradigms, including cloud, fog, edge, serverless and quantum computing environments.

Leveraging datasets available to learn a model with high generalization ability to unseen domains is important for computer vision, especially when the unseen domain's annotated data are unavailable. We study a novel and practical problem of Open Domain Generalization (OpenDG), which learns from different source domains to achieve high performance on an unknown target domain, where the distributions and label sets of each individual source domain and the target domain can be different. The problem can be generally applied to diverse source domains and widely applicable to real-world applications. We propose a Domain-Augmented Meta-Learning framework to learn open-domain generalizable representations. We augment domains on both feature-level by a new Dirichlet mixup and label-level by distilled soft-labeling, which complements each domain with missing classes and other domain knowledge. We conduct meta-learning over domains by designing new meta-learning tasks and losses to preserve domain unique knowledge and generalize knowledge across domains simultaneously. Experiment results on various multi-domain datasets demonstrate that the proposed Domain-Augmented Meta-Learning (DAML) outperforms prior methods for unseen domain recognition.

Federated learning is a new distributed machine learning framework, where a bunch of heterogeneous clients collaboratively train a model without sharing training data. In this work, we consider a practical and ubiquitous issue in federated learning: intermittent client availability, where the set of eligible clients may change during the training process. Such an intermittent client availability model would significantly deteriorate the performance of the classical Federated Averaging algorithm (FedAvg for short). We propose a simple distributed non-convex optimization algorithm, called Federated Latest Averaging (FedLaAvg for short), which leverages the latest gradients of all clients, even when the clients are not available, to jointly update the global model in each iteration. Our theoretical analysis shows that FedLaAvg attains the convergence rate of $O(1/(N^{1/4} T^{1/2}))$, achieving a sublinear speedup with respect to the total number of clients. We implement and evaluate FedLaAvg with the CIFAR-10 dataset. The evaluation results demonstrate that FedLaAvg indeed reaches a sublinear speedup and achieves 4.23% higher test accuracy than FedAvg.

Multi-paragraph reasoning is indispensable for open-domain question answering (OpenQA), which receives less attention in the current OpenQA systems. In this work, we propose a knowledge-enhanced graph neural network (KGNN), which performs reasoning over multiple paragraphs with entities. To explicitly capture the entities' relatedness, KGNN utilizes relational facts in knowledge graph to build the entity graph. The experimental results show that KGNN outperforms in both distractor and full wiki settings than baselines methods on HotpotQA dataset. And our further analysis illustrates KGNN is effective and robust with more retrieved paragraphs.

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.