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Bayesian Optimisation (BO) is a state-of-the-art global optimisation technique for black-box problems where derivative information is unavailable, and sample efficiency is crucial. However, improving the general scalability of BO has proved challenging. Here, we explore Latent Space Bayesian Optimisation (LSBO), that applies dimensionality reduction to perform BO in a reduced-dimensional subspace. While early LSBO methods used (linear) random projections (Wang et al., 2013), we employ Variational Autoencoders (VAEs) to manage more complex data structures and general DR tasks. Building on Grosnit et. al. (2021), we analyse the VAE-based LSBO framework, focusing on VAE retraining and deep metric loss. We suggest a few key corrections in their implementation, originally designed for tasks such as molecule generation, and reformulate the algorithm for broader optimisation purposes. Our numerical results show that structured latent manifolds improve BO performance. Additionally, we examine the use of the Mat\'{e}rn-$\frac{5}{2}$ kernel for Gaussian Processes in this LSBO context. We also integrate Sequential Domain Reduction (SDR), a standard global optimization efficiency strategy, into BO. SDR is included in a GPU-based environment using \textit{BoTorch}, both in the original and VAE-generated latent spaces, marking the first application of SDR within LSBO.

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降維是將數據(ju)從高維空(kong)間轉換為低(di)維空(kong)間,以便(bian)低(di)維表示保留原始數據(ju)的(de)某些有意義的(de)屬性,理(li)想情況下接近其固有維。降維在處理(li)大(da)量(liang)(liang)觀察和/或大(da)量(liang)(liang)變量(liang)(liang)的(de)領域很常見,例(li)如信號處理(li),語音(yin)識別,神經(jing)信息學(xue)和生物信息學(xue)。

This work aims to provide an engagement decision support tool for Beyond Visual Range (BVR) air combat in the context of Defensive Counter Air (DCA) missions. In BVR air combat, engagement decision refers to the choice of the moment the pilot engages a target by assuming an offensive stance and executing corresponding maneuvers. To model this decision, we use the Brazilian Air Force's Aerospace Simulation Environment (\textit{Ambiente de Simula\c{c}\~ao Aeroespacial - ASA} in Portuguese), which generated 3,729 constructive simulations lasting 12 minutes each and a total of 10,316 engagements. We analyzed all samples by an operational metric called the DCA index, which represents, based on the experience of subject matter experts, the degree of success in this type of mission. This metric considers the distances of the aircraft of the same team and the opposite team, the point of Combat Air Patrol, and the number of missiles used. By defining the engagement status right before it starts and the average of the DCA index throughout the engagement, we create a supervised learning model to determine the quality of a new engagement. An algorithm based on decision trees, working with the XGBoost library, provides a regression model to predict the DCA index with a coefficient of determination close to 0.8 and a Root Mean Square Error of 0.05 that can furnish parameters to the BVR pilot to decide whether or not to engage. Thus, using data obtained through simulations, this work contributes by building a decision support system based on machine learning for BVR air combat.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Adversarial attack is a technique for deceiving Machine Learning (ML) models, which provides a way to evaluate the adversarial robustness. In practice, attack algorithms are artificially selected and tuned by human experts to break a ML system. However, manual selection of attackers tends to be sub-optimal, leading to a mistakenly assessment of model security. In this paper, a new procedure called Composite Adversarial Attack (CAA) is proposed for automatically searching the best combination of attack algorithms and their hyper-parameters from a candidate pool of \textbf{32 base attackers}. We design a search space where attack policy is represented as an attacking sequence, i.e., the output of the previous attacker is used as the initialization input for successors. Multi-objective NSGA-II genetic algorithm is adopted for finding the strongest attack policy with minimum complexity. The experimental result shows CAA beats 10 top attackers on 11 diverse defenses with less elapsed time (\textbf{6 $\times$ faster than AutoAttack}), and achieves the new state-of-the-art on $l_{\infty}$, $l_{2}$ and unrestricted adversarial attacks.

Few-shot Knowledge Graph (KG) completion is a focus of current research, where each task aims at querying unseen facts of a relation given its few-shot reference entity pairs. Recent attempts solve this problem by learning static representations of entities and references, ignoring their dynamic properties, i.e., entities may exhibit diverse roles within task relations, and references may make different contributions to queries. This work proposes an adaptive attentional network for few-shot KG completion by learning adaptive entity and reference representations. Specifically, entities are modeled by an adaptive neighbor encoder to discern their task-oriented roles, while references are modeled by an adaptive query-aware aggregator to differentiate their contributions. Through the attention mechanism, both entities and references can capture their fine-grained semantic meanings, and thus render more expressive representations. This will be more predictive for knowledge acquisition in the few-shot scenario. Evaluation in link prediction on two public datasets shows that our approach achieves new state-of-the-art results with different few-shot sizes.

Recent advances in maximizing mutual information (MI) between the source and target have demonstrated its effectiveness in text generation. However, previous works paid little attention to modeling the backward network of MI (i.e., dependency from the target to the source), which is crucial to the tightness of the variational information maximization lower bound. In this paper, we propose Adversarial Mutual Information (AMI): a text generation framework which is formed as a novel saddle point (min-max) optimization aiming to identify joint interactions between the source and target. Within this framework, the forward and backward networks are able to iteratively promote or demote each other's generated instances by comparing the real and synthetic data distributions. We also develop a latent noise sampling strategy that leverages random variations at the high-level semantic space to enhance the long term dependency in the generation process. Extensive experiments based on different text generation tasks demonstrate that the proposed AMI framework can significantly outperform several strong baselines, and we also show that AMI has potential to lead to a tighter lower bound of maximum mutual information for the variational information maximization problem.

This paper proposes a generic method to learn interpretable convolutional filters in a deep convolutional neural network (CNN) for object classification, where each interpretable filter encodes features of a specific object part. Our method does not require additional annotations of object parts or textures for supervision. Instead, we use the same training data as traditional CNNs. Our method automatically assigns each interpretable filter in a high conv-layer with an object part of a certain category during the learning process. Such explicit knowledge representations in conv-layers of CNN help people clarify the logic encoded in the CNN, i.e., answering what patterns the CNN extracts from an input image and uses for prediction. We have tested our method using different benchmark CNNs with various structures to demonstrate the broad applicability of our method. Experiments have shown that our interpretable filters are much more semantically meaningful than traditional filters.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

Recent advancements in deep neural networks for graph-structured data have led to state-of-the-art performance on recommender system benchmarks. However, making these methods practical and scalable to web-scale recommendation tasks with billions of items and hundreds of millions of users remains a challenge. Here we describe a large-scale deep recommendation engine that we developed and deployed at Pinterest. We develop a data-efficient Graph Convolutional Network (GCN) algorithm PinSage, which combines efficient random walks and graph convolutions to generate embeddings of nodes (i.e., items) that incorporate both graph structure as well as node feature information. Compared to prior GCN approaches, we develop a novel method based on highly efficient random walks to structure the convolutions and design a novel training strategy that relies on harder-and-harder training examples to improve robustness and convergence of the model. We also develop an efficient MapReduce model inference algorithm to generate embeddings using a trained model. We deploy PinSage at Pinterest and train it on 7.5 billion examples on a graph with 3 billion nodes representing pins and boards, and 18 billion edges. According to offline metrics, user studies and A/B tests, PinSage generates higher-quality recommendations than comparable deep learning and graph-based alternatives. To our knowledge, this is the largest application of deep graph embeddings to date and paves the way for a new generation of web-scale recommender systems based on graph convolutional architectures.

High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.

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