Graph Convolutional Neural Networks (GCNN) are becoming a preferred model for data processing on irregular domains, yet their analysis and principles of operation are rarely examined due to the black box nature of NNs. To this end, we revisit the operation of GCNNs and show that their convolution layers effectively perform matched filtering of input data with the chosen patterns (features). This allows us to provide a unifying account of GCNNs through a matched filter perspective, whereby the nonlinear ReLU and max-pooling layers are also discussed within the matched filtering framework. This is followed by a step-by-step guide on information propagation and learning in GCNNs. It is also shown that standard CNNs and fully connected NNs can be obtained as a special case of GCNNs. A carefully chosen numerical example guides the reader through the various steps of GCNN operation and learning both visually and numerically.

Accelerating deep neural network (DNN) inference on resource-limited devices is one of the most important barriers to ensuring a wider and more inclusive adoption. To alleviate this, DNN binary quantization for faster convolution and memory savings is one of the most promising strategies despite its serious drop in accuracy. The present paper therefore proposes a novel binary quantization function based on quantized compressed sensing (QCS). Theoretical arguments conjecture that our proposal preserves the practical benefits of standard methods, while reducing the quantization error and the resulting drop in accuracy.

A drawback of these methods that perform important tasks related to methods however is that, they tend not to generalise well drug design such as receptor binding site detection, to data that does not resemble the data distribution used for small molecule docking and binding affinity training. The viability of such models therefore depend on prediction. However, these methods are usually well curated training data that translates well into real world trained on only ligand bound (or holo) conformations applications. of the protein and therefore are not guaranteed to perform well when the protein structure Deep Learning models pertaining to SBDD workflows are is in its native unbound conformation (or apo), usually trained on datasets containing 3D structures of which is usually the conformation available for protein-ligand complexes (Batool et al., 2019). PDBbind a newly identified receptor. A primary reason (Wang et al., 2005) is a predominantly used dataset that provides for this is that the local structure of the binding experimental binding affinity values for protein-ligand site usually changes upon ligand binding. To facilitate co-crystal structures present in the Protein Data Bank (PDB) solutions for this problem, we propose a (Berman et al., 2000). Deep learning architectures usually dataset called APObind that aims to provide apo use voxelized (Jiménez et al., 2018) or graph like representations conformations of proteins present in the PDBbind (Son & Kim, 2021) of the 3D structures present in dataset, a popular dataset used in drug design. Furthermore, PDBbind for computation to get benchmark performances.

Contrastive learning has been widely used to train transformer-based vision-language models for video-text alignment and multi-modal representation learning. This paper presents a new algorithm called Token-Aware Cascade contrastive learning (TACo) that improves contrastive learning using two novel techniques. The first is the token-aware contrastive loss which is computed by taking into account the syntactic classes of words. This is motivated by the observation that for a video-text pair, the content words in the text, such as nouns and verbs, are more likely to be aligned with the visual contents in the video than the function words. Second, a cascade sampling method is applied to generate a small set of hard negative examples for efficient loss estimation for multi-modal fusion layers. To validate the effectiveness of TACo, in our experiments we finetune pretrained models for a set of downstream tasks including text-video retrieval (YouCook2, MSR-VTT and ActivityNet), video action step localization (CrossTask), video action segmentation (COIN). The results show that our models attain consistent improvements across different experimental settings over previous methods, setting new state-of-the-art on three public text-video retrieval benchmarks of YouCook2, MSR-VTT and ActivityNet.

This tutorial aims to introduce the fundamentals of adversarial robustness of deep learning, presenting a well-structured review of up-to-date techniques to assess the vulnerability of various types of deep learning models to adversarial examples. This tutorial will particularly highlight state-of-the-art techniques in adversarial attacks and robustness verification of deep neural networks (DNNs). We will also introduce some effective countermeasures to improve the robustness of deep learning models, with a particular focus on adversarial training. We aim to provide a comprehensive overall picture about this emerging direction and enable the community to be aware of the urgency and importance of designing robust deep learning models in safety-critical data analytical applications, ultimately enabling the end-users to trust deep learning classifiers. We will also summarize potential research directions concerning the adversarial robustness of deep learning, and its potential benefits to enable accountable and trustworthy deep learning-based data analytical systems and applications.

This paper presents a generative AI model for automated music composition with LSTM networks that takes a novel approach at encoding musical information which is based on movement in music rather than absolute pitch. Melodies are encoded as a series of intervals rather than a series of pitches, and chords are encoded as the set of intervals that each chord note makes with the melody at each timestep. Experimental results show promise as they sound musical and tonal. There are also weaknesses to this method, mainly excessive modulations in the compositions, but that is expected from the nature of the encoding. This issue is discussed later in the paper and is a potential topic for future work.

"Is it possible to predict expression levels of different genes at a given spatial location in the routine histology image of a tumor section by modeling its stain absorption characteristics?" In this work, we propose a "stain-aware" machine learning approach for prediction of spatial transcriptomic gene expression profiles using digital pathology image of a routine Hematoxylin & Eosin (H&E) histology section. Unlike recent deep learning methods which are used for gene expression prediction, our proposed approach termed Neural Stain Learning (NSL) explicitly models the association of stain absorption characteristics of the tissue with gene expression patterns in spatial transcriptomics by learning a problem-specific stain deconvolution matrix in an end-to-end manner. The proposed method with only 11 trainable weight parameters outperforms both classical regression models with cellular composition and morphological features as well as deep learning methods. We have found that the gene expression predictions from the proposed approach show higher correlations with true expression values obtained through sequencing for a larger set of genes in comparison to other approaches.

Social science studies dealing with control in networks typically resort to heuristics or describing the static control distribution. Optimal policies, however, require interventions that optimize control over a socioeconomic network subject to real-world constraints. We integrate optimisation tools from deep-learning with network science into a framework that is able to optimize such interventions in real-world networks. We demonstrate the framework in the context of corporate control, where it allows to characterize the vulnerability of strategically important corporate networks to sensitive takeovers, an important contemporaneous policy challenge. The framework produces insights that are relevant for governing real-world socioeconomic networks, and opens up new research avenues for improving our understanding and control of such complex systems.

The past decade has seen a substantial rise in the amount of mis- and disinformation online, from targeted disinformation campaigns to influence politics, to the unintentional spreading of misinformation about public health. This development has spurred research in the area of automatic fact checking, from approaches to detect check-worthy claims and determining the stance of tweets towards claims, to methods to determine the veracity of claims given evidence documents. These automatic methods are often content-based, using natural language processing methods, which in turn utilise deep neural networks to learn higher-order features from text in order to make predictions. As deep neural networks are black-box models, their inner workings cannot be easily explained. At the same time, it is desirable to explain how they arrive at certain decisions, especially if they are to be used for decision making. While this has been known for some time, the issues this raises have been exacerbated by models increasing in size, and by EU legislation requiring models to be used for decision making to provide explanations, and, very recently, by legislation requiring online platforms operating in the EU to provide transparent reporting on their services. Despite this, current solutions for explainability are still lacking in the area of fact checking. This thesis presents my research on automatic fact checking, including claim check-worthiness detection, stance detection and veracity prediction. Its contributions go beyond fact checking, with the thesis proposing more general machine learning solutions for natural language processing in the area of learning with limited labelled data. Finally, the thesis presents some first solutions for explainable fact checking.

Deep neural networks (DNNs) are known to be vulnerable to adversarial images, while their robustness in text classification is rarely studied. Several lines of text attack methods have been proposed in the literature, including character-level, word-level, and sentence-level attacks. However, it is still a challenge to minimize the number of word changes necessary to induce misclassification, while simultaneously ensuring lexical correctness, syntactic soundness, and semantic similarity. In this paper, we propose a Bigram and Unigram based adaptive Semantic Preservation Optimization (BU-SPO) method to examine the vulnerability of deep models. Our method has four major merits. Firstly, we propose to attack text documents not only at the unigram word level but also at the bigram level which better keeps semantics and avoids producing meaningless outputs. Secondly, we propose a hybrid method to replace the input words with options among both their synonyms candidates and sememe candidates, which greatly enriches the potential substitutions compared to only using synonyms. Thirdly, we design an optimization algorithm, i.e., Semantic Preservation Optimization (SPO), to determine the priority of word replacements, aiming to reduce the modification cost. Finally, we further improve the SPO with a semantic Filter (named SPOF) to find the adversarial example with the highest semantic similarity. We evaluate the effectiveness of our BU-SPO and BU-SPOF on IMDB, AG's News, and Yahoo! Answers text datasets by attacking four popular DNNs models. Results show that our methods achieve the highest attack success rates and semantics rates by changing the smallest number of words compared with existing methods.