In this work, we propose MEDICO, a Multi-viEw Deep generative model for molecule generation, structural optimization, and the SARS-CoV-2 Inhibitor disCOvery. To the best of our knowledge, MEDICO is the first-of-this-kind graph generative model that can generate molecular graphs similar to the structure of targeted molecules, with a multi-view representation learning framework to sufficiently and adaptively learn comprehensive structural semantics from targeted molecular topology and geometry. We show that our MEDICO significantly outperforms the state-of-the-art methods in generating valid, unique, and novel molecules under benchmarking comparisons. In particular, we showcase the multi-view deep learning model enables us to generate not only the molecules structurally similar to the targeted molecules but also the molecules with desired chemical properties, demonstrating the strong capability of our model in exploring the chemical space deeply. Moreover, case study results on targeted molecule generation for the SARS-CoV-2 main protease (Mpro) show that by integrating molecule docking into our model as chemical priori, we successfully generate new small molecules with desired drug-like properties for the Mpro, potentially accelerating the de novo design of Covid-19 drugs. Further, we apply MEDICO to the structural optimization of three well-known Mpro inhibitors (N3, 11a, and GC376) and achieve ~88% improvement in their binding affinity to Mpro, demonstrating the application value of our model for the development of therapeutics for SARS-CoV-2 infection.

Large language models (LLMs) have been shown to be able to perform new tasks based on a few demonstrations or natural language instructions. While these capabilities have led to widespread adoption, most LLMs are developed by resource-rich organizations and are frequently kept from the public. As a step towards democratizing this powerful technology, we present BLOOM, a 176B-parameter open-access language model designed and built thanks to a collaboration of hundreds of researchers. BLOOM is a decoder-only Transformer language model that was trained on the ROOTS corpus, a dataset comprising hundreds of sources in 46 natural and 13 programming languages (59 in total). We find that BLOOM achieves competitive performance on a wide variety of benchmarks, with stronger results after undergoing multitask prompted finetuning. To facilitate future research and applications using LLMs, we publicly release our models and code under the Responsible AI License.

传统的深度传感器产生准确的真实世界深度估计，即使仅在仿真域训练的最先进的学习方法也会超越。由于在模拟域中容易获得地面真理深度，但在真实域中很难获得，因此我们提出了一种利用两个世界的最佳方法的方法。在本文中，我们展示了一个新的框架，ActiveZero，这是一个混合域学习解决方案，适用于不需要真实世界深度注释的活动立体宽度系统。首先，我们通过使用混合域学习策略来证明我们的方法对分发外数据的可转换性。在仿真域中，我们在形状原语数据集上使用监督差异丢失和自我监督损失的组合。相比之下，在真实域中，我们只在数据集中使用自我监督损失，这些损失是从培训仿真数据或测试真实数据的分发。其次，我们的方法介绍了一种名为Temporal IR的自我监督损失，以增加我们在难以感知地区的重新注入的鲁棒性和准确性。最后，我们展示了如何训练该方法的端到端，并且每个模块对于获得最终结果很重要。关于真实数据的广泛定性和定量评估表明了甚至可以击败商业深度传感器的最新状态。

深度神经网络通常需要准确和大量注释，以在医学图像分割中实现出色的性能。单次分割和弱监督学习是有前途的研究方向，即通过仅从一个注释图像学习新类并利用粗标签来降低标签努力。以前的作品通常未能利用解剖结构并遭受阶级不平衡和低对比度问题。因此，我们为3D医学图像分割的创新框架提供了一次性和弱监督的设置。首先，提出了一种传播重建网络，以基于不同人体中的解剖模式类似的假设将来自注释体积的划痕投射到未标记的3D图像。然后，双级功能去噪模块旨在基于解剖结构和像素级别来改进涂鸦。在将涂鸦扩展到伪掩码后，我们可以使用嘈杂的标签培训策略培训新课程的分段模型。一个腹部的实验和一个头部和颈部CT数据集显示所提出的方法对最先进的方法获得显着改善，即使在严重的阶级不平衡和低对比度下也能够稳健地执行。

Participants in political discourse employ rhetorical strategies -- such as hedging, attributions, or denials -- to display varying degrees of belief commitments to claims proposed by themselves or others. Traditionally, political scientists have studied these epistemic phenomena through labor-intensive manual content analysis. We propose to help automate such work through epistemic stance prediction, drawn from research in computational semantics, to distinguish at the clausal level what is asserted, denied, or only ambivalently suggested by the author or other mentioned entities (belief holders). We first develop a simple RoBERTa-based model for multi-source stance predictions that outperforms more complex state-of-the-art modeling. Then we demonstrate its novel application to political science by conducting a large-scale analysis of the Mass Market Manifestos corpus of U.S. political opinion books, where we characterize trends in cited belief holders -- respected allies and opposed bogeymen -- across U.S. political ideologies.

While inferring common actor states (such as position or velocity) is an important and well-explored task of the perception system aboard a self-driving vehicle (SDV), it may not always provide sufficient information to the SDV. This is especially true in the case of active emergency vehicles (EVs), where light-based signals also need to be captured to provide a full context. We consider this problem and propose a sequential methodology for the detection of active EVs, using an off-the-shelf CNN model operating at a frame level and a downstream smoother that accounts for the temporal aspect of flashing EV lights. We also explore model improvements through data augmentation and training with additional hard samples.

A key feature of federated learning (FL) is to preserve the data privacy of end users. However, there still exist potential privacy leakage in exchanging gradients under FL. As a result, recent research often explores the differential privacy (DP) approaches to add noises to the computing results to address privacy concerns with low overheads, which however degrade the model performance. In this paper, we strike the balance of data privacy and efficiency by utilizing the pervasive social connections between users. Specifically, we propose SCFL, a novel Social-aware Clustered Federated Learning scheme, where mutually trusted individuals can freely form a social cluster and aggregate their raw model updates (e.g., gradients) inside each cluster before uploading to the cloud for global aggregation. By mixing model updates in a social group, adversaries can only eavesdrop the social-layer combined results, but not the privacy of individuals. We unfold the design of SCFL in three steps. \emph{i) Stable social cluster formation. Considering users' heterogeneous training samples and data distributions, we formulate the optimal social cluster formation problem as a federation game and devise a fair revenue allocation mechanism to resist free-riders. ii) Differentiated trust-privacy mapping}. For the clusters with low mutual trust, we design a customizable privacy preservation mechanism to adaptively sanitize participants' model updates depending on social trust degrees. iii) Distributed convergence}. A distributed two-sided matching algorithm is devised to attain an optimized disjoint partition with Nash-stable convergence. Experiments on Facebook network and MNIST/CIFAR-10 datasets validate that our SCFL can effectively enhance learning utility, improve user payoff, and enforce customizable privacy protection.

Transformer-based models have been widely demonstrated to be successful in computer vision tasks by modelling long-range dependencies and capturing global representations. However, they are often dominated by features of large patterns leading to the loss of local details (e.g., boundaries and small objects), which are critical in medical image segmentation. To alleviate this problem, we propose a Dual-Aggregation Transformer Network called DuAT, which is characterized by two innovative designs, namely, the Global-to-Local Spatial Aggregation (GLSA) and Selective Boundary Aggregation (SBA) modules. The GLSA has the ability to aggregate and represent both global and local spatial features, which are beneficial for locating large and small objects, respectively. The SBA module is used to aggregate the boundary characteristic from low-level features and semantic information from high-level features for better preserving boundary details and locating the re-calibration objects. Extensive experiments in six benchmark datasets demonstrate that our proposed model outperforms state-of-the-art methods in the segmentation of skin lesion images, and polyps in colonoscopy images. In addition, our approach is more robust than existing methods in various challenging situations such as small object segmentation and ambiguous object boundaries.

Users' involvement in creating and propagating news is a vital aspect of fake news detection in online social networks. Intuitively, credible users are more likely to share trustworthy news, while untrusted users have a higher probability of spreading untrustworthy news. In this paper, we construct a dual-layer graph (i.e., the news layer and the user layer) to extract multiple relations of news and users in social networks to derive rich information for detecting fake news. Based on the dual-layer graph, we propose a fake news detection model named Us-DeFake. It learns the propagation features of news in the news layer and the interaction features of users in the user layer. Through the inter-layer in the graph, Us-DeFake fuses the user signals that contain credibility information into the news features, to provide distinctive user-aware embeddings of news for fake news detection. The training process conducts on multiple dual-layer subgraphs obtained by a graph sampler to scale Us-DeFake in large scale social networks. Extensive experiments on real-world datasets illustrate the superiority of Us-DeFake which outperforms all baselines, and the users' credibility signals learned by interaction relation can notably improve the performance of our model.

Task-oriented dialogue systems often assist users with personal or confidential matters. For this reason, the developers of such a system are generally prohibited from observing actual usage. So how can they know where the system is failing and needs more training data or new functionality? In this work, we study ways in which realistic user utterances can be generated synthetically, to help increase the linguistic and functional coverage of the system, without compromising the privacy of actual users. To this end, we propose a two-stage Differentially Private (DP) generation method which first generates latent semantic parses, and then generates utterances based on the parses. Our proposed approach improves MAUVE by 3.8$\times$ and parse tree node-type overlap by 1.4$\times$ relative to current approaches for private synthetic data generation, improving both on fluency and semantic coverage. We further validate our approach on a realistic domain adaptation task of adding new functionality from private user data to a semantic parser, and show gains of 1.3$\times$ on its accuracy with the new feature.