发现药物目标相互作用（DTI）是一个非常有前途的研究领域，具有巨大的潜力。通过计算方法对药物和蛋白质之间可靠的相互作用的准确鉴定，这些方法通常利用从不同数据源检索到的异质信息，可以提高有效药物的发展。尽管随机行走和基质分解技术被广泛用于DTI预测中，但它们有几个局限性。通常以无监督的方式进行基于步行的嵌入生成，而矩阵分解中的线性相似性组合会扭曲不同视图提供的单个见解。为了解决这些问题，我们采用多层网络方法来处理多样化的药物和靶向相似性，并提出了一个新颖的优化框架，称为多重相似性基于DEEPSWALK的矩阵分解（MDMF），以进行DTI预测。该框架统一了嵌入的产生和相互作用预测，药物的学习矢量表示以及目标不仅保留了所有超层和特定层特异性局部不变性的高阶接近性，而且还可以近似与其内部产品的相互作用。此外，我们开发了一种集成方法（MDMF2A），该方法集成了MDMF模型的两个实例化，优化了Precision-Recall曲线（AUPR）和接收器操作特征曲线（AUC）下的面积。关于现实世界DTI数据集的实证研究表明，我们的方法在四种不同的环境中对当前最新方法实现了统计学上的显着改善。此外，对高度排名的非相互作用对的验证也证明了MDMF2A发现新型DTI的潜力。

Automatic differentiation (AD) is a technique for computing the derivative of a function represented by a program. This technique is considered as the de-facto standard for computing the differentiation in many machine learning and optimisation software tools. Despite the practicality of this technique, the performance of the differentiated programs, especially for functional languages and in the presence of vectors, is suboptimal. We present an AD system for a higher-order functional array-processing language. The core functional language underlying this system simultaneously supports both source-to-source forward-mode AD and global optimisations such as loop transformations. In combination, gradient computation with forward-mode AD can be as efficient as reverse mode, and the Jacobian matrices required for numerical algorithms such as Gauss-Newton and Levenberg-Marquardt can be efficiently computed.

A methodology is proposed, which addresses the caveat that line-of-sight emission spectroscopy presents in that it cannot provide spatially resolved temperature measurements in nonhomogeneous temperature fields. The aim of this research is to explore the use of data-driven models in measuring temperature distributions in a spatially resolved manner using emission spectroscopy data. Two categories of data-driven methods are analyzed: (i) Feature engineering and classical machine learning algorithms, and (ii) end-to-end convolutional neural networks (CNN). In total, combinations of fifteen feature groups and fifteen classical machine learning models, and eleven CNN models are considered and their performances explored. The results indicate that the combination of feature engineering and machine learning provides better performance than the direct use of CNN. Notably, feature engineering which is comprised of physics-guided transformation, signal representation-based feature extraction and Principal Component Analysis is found to be the most effective. Moreover, it is shown that when using the extracted features, the ensemble-based, light blender learning model offers the best performance with RMSE, RE, RRMSE and R values of 64.3, 0.017, 0.025 and 0.994, respectively. The proposed method, based on feature engineering and the light blender model, is capable of measuring nonuniform temperature distributions from low-resolution spectra, even when the species concentration distribution in the gas mixtures is unknown.

The combination of artist-curated scans, and deep implicit functions (IF), is enabling the creation of detailed, clothed, 3D humans from images. However, existing methods are far from perfect. IF-based methods recover free-form geometry but produce disembodied limbs or degenerate shapes for unseen poses or clothes. To increase robustness for these cases, existing work uses an explicit parametric body model to constrain surface reconstruction, but this limits the recovery of free-form surfaces such as loose clothing that deviates from the body. What we want is a method that combines the best properties of implicit and explicit methods. To this end, we make two key observations: (1) current networks are better at inferring detailed 2D maps than full-3D surfaces, and (2) a parametric model can be seen as a "canvas" for stitching together detailed surface patches. ECON infers high-fidelity 3D humans even in loose clothes and challenging poses, while having realistic faces and fingers. This goes beyond previous methods. Quantitative, evaluation of the CAPE and Renderpeople datasets shows that ECON is more accurate than the state of the art. Perceptual studies also show that ECON's perceived realism is better by a large margin. Code and models are available for research purposes at https://xiuyuliang.cn/econ

Being able to forecast the popularity of new garment designs is very important in an industry as fast paced as fashion, both in terms of profitability and reducing the problem of unsold inventory. Here, we attempt to address this task in order to provide informative forecasts to fashion designers within a virtual reality designer application that will allow them to fine tune their creations based on current consumer preferences within an interactive and immersive environment. To achieve this we have to deal with the following central challenges: (1) the proposed method should not hinder the creative process and thus it has to rely only on the garment's visual characteristics, (2) the new garment lacks historical data from which to extrapolate their future popularity and (3) fashion trends in general are highly dynamical. To this end, we develop a computer vision pipeline fine tuned on fashion imagery in order to extract relevant visual features along with the category and attributes of the garment. We propose a hierarchical label sharing (HLS) pipeline for automatically capturing hierarchical relations among fashion categories and attributes. Moreover, we propose MuQAR, a Multimodal Quasi-AutoRegressive neural network that forecasts the popularity of new garments by combining their visual features and categorical features while an autoregressive neural network is modelling the popularity time series of the garment's category and attributes. Both the proposed HLS and MuQAR prove capable of surpassing the current state-of-the-art in key benchmark datasets, DeepFashion for image classification and VISUELLE for new garment sales forecasting.

Automatic fake news detection is a challenging problem in misinformation spreading, and it has tremendous real-world political and social impacts. Past studies have proposed machine learning-based methods for detecting such fake news, focusing on different properties of the published news articles, such as linguistic characteristics of the actual content, which however have limitations due to the apparent language barriers. Departing from such efforts, we propose FNDaaS, the first automatic, content-agnostic fake news detection method, that considers new and unstudied features such as network and structural characteristics per news website. This method can be enforced as-a-Service, either at the ISP-side for easier scalability and maintenance, or user-side for better end-user privacy. We demonstrate the efficacy of our method using data crawled from existing lists of 637 fake and 1183 real news websites, and by building and testing a proof of concept system that materializes our proposal. Our analysis of data collected from these websites shows that the vast majority of fake news domains are very young and appear to have lower time periods of an IP associated with their domain than real news ones. By conducting various experiments with machine learning classifiers, we demonstrate that FNDaaS can achieve an AUC score of up to 0.967 on past sites, and up to 77-92% accuracy on newly-flagged ones.

In this paper, we address the problem of image splicing localization with a multi-stream network architecture that processes the raw RGB image in parallel with other handcrafted forensic signals. Unlike previous methods that either use only the RGB images or stack several signals in a channel-wise manner, we propose an encoder-decoder architecture that consists of multiple encoder streams. Each stream is fed with either the tampered image or handcrafted signals and processes them separately to capture relevant information from each one independently. Finally, the extracted features from the multiple streams are fused in the bottleneck of the architecture and propagated to the decoder network that generates the output localization map. We experiment with two handcrafted algorithms, i.e., DCT and Splicebuster. Our proposed approach is benchmarked on three public forensics datasets, demonstrating competitive performance against several competing methods and achieving state-of-the-art results, e.g., 0.898 AUC on CASIA.

The sheer volume of online user-generated content has rendered content moderation technologies essential in order to protect digital platform audiences from content that may cause anxiety, worry, or concern. Despite the efforts towards developing automated solutions to tackle this problem, creating accurate models remains challenging due to the lack of adequate task-specific training data. The fact that manually annotating such data is a highly demanding procedure that could severely affect the annotators' emotional well-being is directly related to the latter limitation. In this paper, we propose the CM-Refinery framework that leverages large-scale multimedia datasets to automatically extend initial training datasets with hard examples that can refine content moderation models, while significantly reducing the involvement of human annotators. We apply our method on two model adaptation strategies designed with respect to the different challenges observed while collecting data, i.e. lack of (i) task-specific negative data or (ii) both positive and negative data. Additionally, we introduce a diversity criterion applied to the data collection process that further enhances the generalization performance of the refined models. The proposed method is evaluated on the Not Safe for Work (NSFW) and disturbing content detection tasks on benchmark datasets achieving 1.32% and 1.94% accuracy improvements compared to the state of the art, respectively. Finally, it significantly reduces human involvement, as 92.54% of data are automatically annotated in case of disturbing content while no human intervention is required for the NSFW task.

Unlike the typical classification setting where each instance is associated with a single class, in multi-label learning each instance is associated with multiple classes simultaneously. Therefore the learning task in this setting is to predict the subset of classes to which each instance belongs. This work examines the application of a recently developed framework called Conformal Prediction (CP) to the multi-label learning setting. CP complements the predictions of machine learning algorithms with reliable measures of confidence. As a result the proposed approach instead of just predicting the most likely subset of classes for a new unseen instance, also indicates the likelihood of each predicted subset being correct. This additional information is especially valuable in the multi-label setting where the overall uncertainty is extremely high.

In this paper, we introduce MINTIME, a video deepfake detection approach that captures spatial and temporal anomalies and handles instances of multiple people in the same video and variations in face sizes. Previous approaches disregard such information either by using simple a-posteriori aggregation schemes, i.e., average or max operation, or using only one identity for the inference, i.e., the largest one. On the contrary, the proposed approach builds on a Spatio-Temporal TimeSformer combined with a Convolutional Neural Network backbone to capture spatio-temporal anomalies from the face sequences of multiple identities depicted in a video. This is achieved through an Identity-aware Attention mechanism that attends to each face sequence independently based on a masking operation and facilitates video-level aggregation. In addition, two novel embeddings are employed: (i) the Temporal Coherent Positional Embedding that encodes each face sequence's temporal information and (ii) the Size Embedding that encodes the size of the faces as a ratio to the video frame size. These extensions allow our system to adapt particularly well in the wild by learning how to aggregate information of multiple identities, which is usually disregarded by other methods in the literature. It achieves state-of-the-art results on the ForgeryNet dataset with an improvement of up to 14% AUC in videos containing multiple people and demonstrates ample generalization capabilities in cross-forgery and cross-dataset settings. The code is publicly available at https://github.com/davide-coccomini/MINTIME-Multi-Identity-size-iNvariant-TIMEsformer-for-Video-Deepfake-Detection.