自我监督的神经语言模型最近在有机分子和蛋白质序列的生成设计中发现了广泛的应用，以及用于下游结构分类和功能预测的表示学习。但是，大多数现有的分子设计深度学习模型通常都需要一个大数据集并具有黑盒架构，这使得很难解释其设计逻辑。在这里，我们提出了生成分子变压器（GMTRANSFORMER），这是一种用于分子生成设计的概率神经网络模型。我们的模型建立在最初用于文本处理的空白填充语言模型上，该模型在学习具有高质量生成，可解释性和数据效率的“分子语法”方面具有独特的优势。与其他基线相比，我们的模型在摩西数据集上的基准测试后获得了高新颖性和SCAF。概率生成步骤具有修补分子设计的潜力，因为它们有能力推荐如何通过学习的隐式分子化学指导，并通过解释来修饰现有分子。可以在https://github.com/usccolumbia/gmtransformer上自由访问源代码和数据集

无监督的域对点云语义分割的适应性引起了极大的关注，因为它在没有标记的数据中学习有效性。大多数现有方法都使用全局级特征对齐方式将知识从源域转移到目标域，这可能会导致特征空间的语义歧义。在本文中，我们提出了一个基于图形的框架，以探索两个域之间的局部特征对齐，可以在适应过程中保留语义歧视。具体而言，为了提取本地级特征，我们首先在两个域上动态构建本地特征图，并使用来自源域的图形构建存储库。特别是，我们使用最佳传输来生成图形匹配对。然后，基于分配矩阵，我们可以将两个域之间的特征分布与基于图的本地特征损失对齐。此外，我们考虑了不同类别的特征之间的相关性，并制定了类别引导的对比损失，以指导分割模型以学习目标域上的区分特征。对不同的合成到现实和真实域的适应情景进行了广泛的实验表明，我们的方法可以实现最先进的性能。

对比学习在图表学习领域表现出了巨大的希望。通过手动构建正/负样本，大多数图对比度学习方法依赖于基于矢量内部产品的相似性度量标准来区分图形表示样品。但是，手工制作的样品构建（例如，图表的节点或边缘的扰动）可能无法有效捕获图形的固有局部结构。同样，基于矢量内部产品的相似性度量标准无法完全利用图形的局部结构来表征图差。为此，在本文中，我们提出了一种基于自适应子图生成的新型对比度学习框架，以实现有效且强大的自我监督图表示学习，并且最佳传输距离被用作子绘图之间的相似性度量。它的目的是通过捕获图的固有结构来生成对比样品，并根据子图的特征和结构同时区分样品。具体而言，对于每个中心节点，通过自适应学习关系权重与相应邻域的节点，我们首先开发一个网络来生成插值子图。然后，我们分别构建来自相同和不同节点的子图的正和负对。最后，我们采用两种类型的最佳运输距离（即Wasserstein距离和Gromov-Wasserstein距离）来构建结构化的对比损失。基准数据集上的广泛节点分类实验验证了我们的图形对比学习方法的有效性。

基于草图的3D形状检索是一项具有挑战性的任务，这是由于草图和3D形状之间的较大域差异。由于现有方法是在相同类别上进行培训和评估的，因此他们无法有效地识别培训期间未使用的类别。在本文中，我们建议用于基于零素描的3D检索的新型域分解生成对抗网络（DD-GAN），该域可以检索训练过程中未访问的不看到的类别。具体而言，我们首先通过删除草图和3D形状的学习特征来生成域不变的特征和特定于域特异性特征，在该特征中，域，域，不变的特征用于与相应的单词嵌入在一起。然后，我们开发了一个生成的对抗网络，该网络将所见类别的特定域特征与对齐的域不变特征结合在一起，以合成样品，在其中使用相应的单词嵌入式生成了看不见类别的合成样本。最后，我们使用看不见类别的综合样本与可见类别的真实样本相结合来训练网络进行检索，以便可以识别出看不见的类别。为了减少域移位问题，我们利用未看到的未见样本来增强歧视者的歧视能力。通过鉴别器将生成的样品与未看到的看不见的样品区分开，生成器可以生成更现实的看不见的样品。 SHEREC'13和SHEREC'14数据集的广泛实验表明，我们的方法显着提高了看不见类别的检索性能。

Due to their ability to offer more comprehensive information than data from a single view, multi-view (multi-source, multi-modal, multi-perspective, etc.) data are being used more frequently in remote sensing tasks. However, as the number of views grows, the issue of data quality becomes more apparent, limiting the potential benefits of multi-view data. Although recent deep neural network (DNN) based models can learn the weight of data adaptively, a lack of research on explicitly quantifying the data quality of each view when fusing them renders these models inexplicable, performing unsatisfactorily and inflexible in downstream remote sensing tasks. To fill this gap, in this paper, evidential deep learning is introduced to the task of aerial-ground dual-view remote sensing scene classification to model the credibility of each view. Specifically, the theory of evidence is used to calculate an uncertainty value which describes the decision-making risk of each view. Based on this uncertainty, a novel decision-level fusion strategy is proposed to ensure that the view with lower risk obtains more weight, making the classification more credible. On two well-known, publicly available datasets of aerial-ground dual-view remote sensing images, the proposed approach achieves state-of-the-art results, demonstrating its effectiveness. The code and datasets of this article are available at the following address: https://github.com/gaopiaoliang/Evidential.

Video-language pre-training has advanced the performance of various downstream video-language tasks. However, most previous methods directly inherit or adapt typical image-language pre-training paradigms to video-language pre-training, thus not fully exploiting the unique characteristic of video, i.e., temporal. In this paper, we propose a Hierarchical Temporal-Aware video-language pre-training framework, HiTeA, with two novel pre-training tasks for modeling cross-modal alignment between moments and texts as well as the temporal relations of video-text pairs. Specifically, we propose a cross-modal moment exploration task to explore moments in videos, which results in detailed video moment representation. Besides, the inherent temporal relations are captured by aligning video-text pairs as a whole in different time resolutions with multi-modal temporal relation exploration task. Furthermore, we introduce the shuffling test to evaluate the temporal reliance of datasets and video-language pre-training models. We achieve state-of-the-art results on 15 well-established video-language understanding and generation tasks, especially on temporal-oriented datasets (e.g., SSv2-Template and SSv2-Label) with 8.6% and 11.1% improvement respectively. HiTeA also demonstrates strong generalization ability when directly transferred to downstream tasks in a zero-shot manner. Models and demo will be available on ModelScope.

Face manipulation detection has been receiving a lot of attention for the reliability and security of the face images. Recent studies focus on using auxiliary information or prior knowledge to capture robust manipulation traces, which are shown to be promising. As one of the important face features, the face depth map, which has shown to be effective in other areas such as the face recognition or face detection, is unfortunately paid little attention to in literature for detecting the manipulated face images. In this paper, we explore the possibility of incorporating the face depth map as auxiliary information to tackle the problem of face manipulation detection in real world applications. To this end, we first propose a Face Depth Map Transformer (FDMT) to estimate the face depth map patch by patch from a RGB face image, which is able to capture the local depth anomaly created due to manipulation. The estimated face depth map is then considered as auxiliary information to be integrated with the backbone features using a Multi-head Depth Attention (MDA) mechanism that is newly designed. Various experiments demonstrate the advantage of our proposed method for face manipulation detection.

Implicit regularization is an important way to interpret neural networks. Recent theory starts to explain implicit regularization with the model of deep matrix factorization (DMF) and analyze the trajectory of discrete gradient dynamics in the optimization process. These discrete gradient dynamics are relatively small but not infinitesimal, thus fitting well with the practical implementation of neural networks. Currently, discrete gradient dynamics analysis has been successfully applied to shallow networks but encounters the difficulty of complex computation for deep networks. In this work, we introduce another discrete gradient dynamics approach to explain implicit regularization, i.e. landscape analysis. It mainly focuses on gradient regions, such as saddle points and local minima. We theoretically establish the connection between saddle point escaping (SPE) stages and the matrix rank in DMF. We prove that, for a rank-R matrix reconstruction, DMF will converge to a second-order critical point after R stages of SPE. This conclusion is further experimentally verified on a low-rank matrix reconstruction problem. This work provides a new theory to analyze implicit regularization in deep learning.

Future work sentences (FWS) are the particular sentences in academic papers that contain the author's description of their proposed follow-up research direction. This paper presents methods to automatically extract FWS from academic papers and classify them according to the different future directions embodied in the paper's content. FWS recognition methods will enable subsequent researchers to locate future work sentences more accurately and quickly and reduce the time and cost of acquiring the corpus. The current work on automatic identification of future work sentences is relatively small, and the existing research cannot accurately identify FWS from academic papers, and thus cannot conduct data mining on a large scale. Furthermore, there are many aspects to the content of future work, and the subdivision of the content is conducive to the analysis of specific development directions. In this paper, Nature Language Processing (NLP) is used as a case study, and FWS are extracted from academic papers and classified into different types. We manually build an annotated corpus with six different types of FWS. Then, automatic recognition and classification of FWS are implemented using machine learning models, and the performance of these models is compared based on the evaluation metrics. The results show that the Bernoulli Bayesian model has the best performance in the automatic recognition task, with the Macro F1 reaching 90.73%, and the SCIBERT model has the best performance in the automatic classification task, with the weighted average F1 reaching 72.63%. Finally, we extract keywords from FWS and gain a deep understanding of the key content described in FWS, and we also demonstrate that content determination in FWS will be reflected in the subsequent research work by measuring the similarity between future work sentences and the abstracts.

We propose, Monte Carlo Nonlocal physics-informed neural networks (MC-Nonlocal-PINNs), which is a generalization of MC-fPINNs in \cite{guo2022monte}, for solving general nonlocal models such as integral equations and nonlocal PDEs. Similar as in MC-fPINNs, our MC-Nonlocal-PINNs handle the nonlocal operators in a Monte Carlo way, resulting in a very stable approach for high dimensional problems. We present a variety of test problems, including high dimensional Volterra type integral equations, hypersingular integral equations and nonlocal PDEs, to demonstrate the effectiveness of our approach.