作为药物开发的必要过程，找到可以选择性地与特定蛋白质结合的药物化合物是高度挑战性和昂贵的。代表药物目标相互作用（DTI）强度的药物目标亲和力（DTA）在过去十年中在DTI预测任务中发挥了重要作用。尽管已将深度学习应用于与DTA相关的研究，但现有的解决方案忽略了分子亚结构之间的基本相关性，在分子代表学习药物化合物分子/蛋白质靶标之间。此外，传统方法缺乏DTA预测过程的解释性。这导致缺少分子间相互作用的特征信息，从而影响预测性能。因此，本文提出了一种使用交互式学习和自动编码器机制的DTA预测方法。提出的模型增强了通过药物/蛋白质分子表示学习模块捕获单个分子序列的特征信息的相应能力，并通过交互式信息学习模块补充了分子序列对之间的信息相互作用。 DTA值预测模块融合了药物目标对相互作用信息，以输出DTA的预测值。此外，从理论上讲，本文提出的方法最大化了DTA预测模型联合分布的证据下限（ELBO），从而增强了实际值和预测值之间概率分布的一致性。实验结果证实了相互变压器 - 药物目标亲和力（MT-DTA）的性能比其他比较方法更好。

神经辐射场（NERFS）表现出惊人的能力，可以从新颖的观点中综合3D场景的图像。但是，他们依赖于基于射线行进的专门体积渲染算法，这些算法与广泛部署的图形硬件的功能不匹配。本文介绍了基于纹理多边形的新的NERF表示形式，该表示可以有效地与标准渲染管道合成新型图像。 NERF表示为一组多边形，其纹理代表二进制不相处和特征向量。用Z-Buffer对多边形的传统渲染产生了每个像素的图像，该图像由在片段着色器中运行的小型，观点依赖的MLP来解释，以产生最终的像素颜色。这种方法使NERF可以使用传统的Polygon栅格化管道渲染，该管道提供了庞大的像素级并行性，从而在包括移动电话在内的各种计算平台上实现了交互式帧速率。

由于毫米波通信中使用的非常狭窄的光束（MMWave），光束对准（BA）是一个关键问题。在这项工作中，我们研究了MMWave BA的问题，并根据机器学习策略贝叶斯优化（BO）提出了一种新颖的光束对齐方案。在这种情况下，我们将光束对齐问题视为黑匣子功能，然后使用BO找到可能的最佳光束对。在BA过程中，该策略利用了测量光束对的信息来预测最佳的光束对。此外，我们建议一种基于梯度增强回归树模型的新型BO算法。仿真结果证明了使用三种不同的替代模型，我们提出的BA方案的光谱效率性能。他们还表明，与正交匹配追踪（OMP）算法和基于汤普森采样的多臂Bandit（TS-MAB）方法相比，所提出的方案可以用小型开销实现光谱效率。

社交机器人被称为社交网络上的自动帐户，这些帐户试图像人类一样行事。尽管图形神经网络（GNNS）已大量应用于社会机器人检测领域，但大量的领域专业知识和先验知识大量参与了最先进的方法，以设计专门的神经网络体系结构，以设计特定的神经网络体系结构。分类任务。但是，在模型设计中涉及超大的节点和网络层，通常会导致过度平滑的问题和缺乏嵌入歧视。在本文中，我们提出了罗斯加斯（Rosgas），这是一种新颖的加强和自我监督的GNN Architecture搜索框架，以适应性地指出了最合适的多跳跃社区和GNN体系结构中的层数。更具体地说，我们将社交机器人检测问题视为以用户为中心的子图嵌入和分类任务。我们利用异构信息网络来通过利用帐户元数据，关系，行为特征和内容功能来展示用户连接。 Rosgas使用多代理的深钢筋学习（RL）机制来导航最佳邻域和网络层的搜索，以分别学习每个目标用户的子图嵌入。开发了一种用于加速RL训练过程的最接近的邻居机制，Rosgas可以借助自我监督的学习来学习更多的判别子图。 5个Twitter数据集的实验表明，Rosgas在准确性，训练效率和稳定性方面优于最先进的方法，并且在处理看不见的样本时具有更好的概括。

We advocate the use of implicit fields for learning generative models of shapes and introduce an implicit field decoder, called IM-NET, for shape generation, aimed at improving the visual quality of the generated shapes. An implicit field assigns a value to each point in 3D space, so that a shape can be extracted as an iso-surface. IM-NET is trained to perform this assignment by means of a binary classifier. Specifically, it takes a point coordinate, along with a feature vector encoding a shape, and outputs a value which indicates whether the point is outside the shape or not. By replacing conventional decoders by our implicit decoder for representation learning (via IM-AE) and shape generation (via IM-GAN), we demonstrate superior results for tasks such as generative shape modeling, interpolation, and single-view 3D reconstruction, particularly in terms of visual quality. Code and supplementary material are available at https://github.com/czq142857/implicit-decoder.

Benefiting from the intrinsic supervision information exploitation capability, contrastive learning has achieved promising performance in the field of deep graph clustering recently. However, we observe that two drawbacks of the positive and negative sample construction mechanisms limit the performance of existing algorithms from further improvement. 1) The quality of positive samples heavily depends on the carefully designed data augmentations, while inappropriate data augmentations would easily lead to the semantic drift and indiscriminative positive samples. 2) The constructed negative samples are not reliable for ignoring important clustering information. To solve these problems, we propose a Cluster-guided Contrastive deep Graph Clustering network (CCGC) by mining the intrinsic supervision information in the high-confidence clustering results. Specifically, instead of conducting complex node or edge perturbation, we construct two views of the graph by designing special Siamese encoders whose weights are not shared between the sibling sub-networks. Then, guided by the high-confidence clustering information, we carefully select and construct the positive samples from the same high-confidence cluster in two views. Moreover, to construct semantic meaningful negative sample pairs, we regard the centers of different high-confidence clusters as negative samples, thus improving the discriminative capability and reliability of the constructed sample pairs. Lastly, we design an objective function to pull close the samples from the same cluster while pushing away those from other clusters by maximizing and minimizing the cross-view cosine similarity between positive and negative samples. Extensive experimental results on six datasets demonstrate the effectiveness of CCGC compared with the existing state-of-the-art algorithms.

To generate high quality rendering images for real time applications, it is often to trace only a few samples-per-pixel (spp) at a lower resolution and then supersample to the high resolution. Based on the observation that the rendered pixels at a low resolution are typically highly aliased, we present a novel method for neural supersampling based on ray tracing 1/4-spp samples at the high resolution. Our key insight is that the ray-traced samples at the target resolution are accurate and reliable, which makes the supersampling an interpolation problem. We present a mask-reinforced neural network to reconstruct and interpolate high-quality image sequences. First, a novel temporal accumulation network is introduced to compute the correlation between current and previous features to significantly improve their temporal stability. Then a reconstruct network based on a multi-scale U-Net with skip connections is adopted for reconstruction and generation of the desired high-resolution image. Experimental results and comparisons have shown that our proposed method can generate higher quality results of supersampling, without increasing the total number of ray-tracing samples, over current state-of-the-art methods.

Temporal sentence grounding (TSG) aims to identify the temporal boundary of a specific segment from an untrimmed video by a sentence query. All existing works first utilize a sparse sampling strategy to extract a fixed number of video frames and then conduct multi-modal interactions with query sentence for reasoning. However, we argue that these methods have overlooked two indispensable issues: 1) Boundary-bias: The annotated target segment generally refers to two specific frames as corresponding start and end timestamps. The video downsampling process may lose these two frames and take the adjacent irrelevant frames as new boundaries. 2) Reasoning-bias: Such incorrect new boundary frames also lead to the reasoning bias during frame-query interaction, reducing the generalization ability of model. To alleviate above limitations, in this paper, we propose a novel Siamese Sampling and Reasoning Network (SSRN) for TSG, which introduces a siamese sampling mechanism to generate additional contextual frames to enrich and refine the new boundaries. Specifically, a reasoning strategy is developed to learn the inter-relationship among these frames and generate soft labels on boundaries for more accurate frame-query reasoning. Such mechanism is also able to supplement the absent consecutive visual semantics to the sampled sparse frames for fine-grained activity understanding. Extensive experiments demonstrate the effectiveness of SSRN on three challenging datasets.

Representing and synthesizing novel views in real-world dynamic scenes from casual monocular videos is a long-standing problem. Existing solutions typically approach dynamic scenes by applying geometry techniques or utilizing temporal information between several adjacent frames without considering the underlying background distribution in the entire scene or the transmittance over the ray dimension, limiting their performance on static and occlusion areas. Our approach $\textbf{D}$istribution-$\textbf{D}$riven neural radiance fields offers high-quality view synthesis and a 3D solution to $\textbf{D}$etach the background from the entire $\textbf{D}$ynamic scene, which is called $\text{D}^4$NeRF. Specifically, it employs a neural representation to capture the scene distribution in the static background and a 6D-input NeRF to represent dynamic objects, respectively. Each ray sample is given an additional occlusion weight to indicate the transmittance lying in the static and dynamic components. We evaluate $\text{D}^4$NeRF on public dynamic scenes and our urban driving scenes acquired from an autonomous-driving dataset. Extensive experiments demonstrate that our approach outperforms previous methods in rendering texture details and motion areas while also producing a clean static background. Our code will be released at https://github.com/Luciferbobo/D4NeRF.

Deploying reliable deep learning techniques in interdisciplinary applications needs learned models to output accurate and ({even more importantly}) explainable predictions. Existing approaches typically explicate network outputs in a post-hoc fashion, under an implicit assumption that faithful explanations come from accurate predictions/classifications. We have an opposite claim that explanations boost (or even determine) classification. That is, end-to-end learning of explanation factors to augment discriminative representation extraction could be a more intuitive strategy to inversely assure fine-grained explainability, e.g., in those neuroimaging and neuroscience studies with high-dimensional data containing noisy, redundant, and task-irrelevant information. In this paper, we propose such an explainable geometric deep network dubbed as NeuroExplainer, with applications to uncover altered infant cortical development patterns associated with preterm birth. Given fundamental cortical attributes as network input, our NeuroExplainer adopts a hierarchical attention-decoding framework to learn fine-grained attentions and respective discriminative representations to accurately recognize preterm infants from term-born infants at term-equivalent age. NeuroExplainer learns the hierarchical attention-decoding modules under subject-level weak supervision coupled with targeted regularizers deduced from domain knowledge regarding brain development. These prior-guided constraints implicitly maximizes the explainability metrics (i.e., fidelity, sparsity, and stability) in network training, driving the learned network to output detailed explanations and accurate classifications. Experimental results on the public dHCP benchmark suggest that NeuroExplainer led to quantitatively reliable explanation results that are qualitatively consistent with representative neuroimaging studies.