In this article, universally optimal multivariate crossover designs are studied. The multiple response crossover design is motivated by a $3 \times 3$ crossover setup, where the effect of $3$ doses of an oral drug are studied on gene expressions related to mucosal inflammation. Subjects are assigned to three treatment sequences and response measurements on 5 different gene expressions are taken from each subject in each of the $3$ time periods. To model multiple or $g$ responses, where $g>1$, in a crossover setup, a multivariate fixed effect model with both direct and carryover treatment effects is considered. It is assumed that there are non zero within response correlations, while between response correlations are taken to be zero. The information matrix corresponding to the direct effects is obtained and some results are studied. The information matrix in the multivariate case is shown to differ from the univariate case, particularly in the completely symmetric property. For the $g>1$ case, with $t$ treatments and $p$ periods, for $p=t \geq 3$, the design represented by a Type $I$ orthogonal array of strength $2$ is proved to be universally optimal over the class of binary designs, for the direct treatment effects.
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Scientists have demonstrated that quantum computing has presented novel approaches to address computational challenges, each varying in complexity. Adapting problem-solving strategies is crucial to harness the full potential of quantum computing. Nonetheless, there are defined boundaries to the capabilities of quantum computing. This paper concentrates on aggregating prior research efforts dedicated to solving intricate classical computational problems through quantum computing. The objective is to systematically compile an exhaustive inventory of these solutions and categorize a collection of demanding problems that await further exploration.
Policy gradient methods hold great potential for solving complex continuous control tasks. Still, their training efficiency can be improved by exploiting structure within the optimization problem. Recent work indicates that supervised learning can be accelerated by leveraging the fact that gradients lie in a low-dimensional and slowly-changing subspace. In this paper, we conduct a thorough evaluation of this phenomenon for two popular deep policy gradient methods on various simulated benchmark tasks. Our results demonstrate the existence of such gradient subspaces despite the continuously changing data distribution inherent to reinforcement learning. These findings reveal promising directions for future work on more efficient reinforcement learning, e.g., through improving parameter-space exploration or enabling second-order optimization.
Existing Collaborative Filtering (CF) methods are mostly designed based on the idea of matching, i.e., by learning user and item embeddings from data using shallow or deep models, they try to capture the associative relevance patterns in data, so that a user embedding can be matched with relevant item embeddings using designed or learned similarity functions. However, as a cognition rather than a perception intelligent task, recommendation requires not only the ability of pattern recognition and matching from data, but also the ability of cognitive reasoning in data. In this paper, we propose to advance Collaborative Filtering (CF) to Collaborative Reasoning (CR), which means that each user knows part of the reasoning space, and they collaborate for reasoning in the space to estimate preferences for each other. Technically, we propose a Neural Collaborative Reasoning (NCR) framework to bridge learning and reasoning. Specifically, we integrate the power of representation learning and logical reasoning, where representations capture similarity patterns in data from perceptual perspectives, and logic facilitates cognitive reasoning for informed decision making. An important challenge, however, is to bridge differentiable neural networks and symbolic reasoning in a shared architecture for optimization and inference. To solve the problem, we propose a modularized reasoning architecture, which learns logical operations such as AND ($\wedge$), OR ($\vee$) and NOT ($\neg$) as neural modules for implication reasoning ($\rightarrow$). In this way, logical expressions can be equivalently organized as neural networks, so that logical reasoning and prediction can be conducted in a continuous space. Experiments on real-world datasets verified the advantages of our framework compared with both shallow, deep and reasoning models.
This paper presents a new approach for assembling graph neural networks based on framelet transforms. The latter provides a multi-scale representation for graph-structured data. With the framelet system, we can decompose the graph feature into low-pass and high-pass frequencies as extracted features for network training, which then defines a framelet-based graph convolution. The framelet decomposition naturally induces a graph pooling strategy by aggregating the graph feature into low-pass and high-pass spectra, which considers both the feature values and geometry of the graph data and conserves the total information. The graph neural networks with the proposed framelet convolution and pooling achieve state-of-the-art performance in many types of node and graph prediction tasks. Moreover, we propose shrinkage as a new activation for the framelet convolution, which thresholds the high-frequency information at different scales. Compared to ReLU, shrinkage in framelet convolution improves the graph neural network model in terms of denoising and signal compression: noises in both node and structure can be significantly reduced by accurately cutting off the high-pass coefficients from framelet decomposition, and the signal can be compressed to less than half its original size with the prediction performance well preserved.
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.
The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.
Embedding models for deterministic Knowledge Graphs (KG) have been extensively studied, with the purpose of capturing latent semantic relations between entities and incorporating the structured knowledge into machine learning. However, there are many KGs that model uncertain knowledge, which typically model the inherent uncertainty of relations facts with a confidence score, and embedding such uncertain knowledge represents an unresolved challenge. The capturing of uncertain knowledge will benefit many knowledge-driven applications such as question answering and semantic search by providing more natural characterization of the knowledge. In this paper, we propose a novel uncertain KG embedding model UKGE, which aims to preserve both structural and uncertainty information of relation facts in the embedding space. Unlike previous models that characterize relation facts with binary classification techniques, UKGE learns embeddings according to the confidence scores of uncertain relation facts. To further enhance the precision of UKGE, we also introduce probabilistic soft logic to infer confidence scores for unseen relation facts during training. We propose and evaluate two variants of UKGE based on different learning objectives. Experiments are conducted on three real-world uncertain KGs via three tasks, i.e. confidence prediction, relation fact ranking, and relation fact classification. UKGE shows effectiveness in capturing uncertain knowledge by achieving promising results on these tasks, and consistently outperforms baselines on these tasks.
Deep neural network architectures have traditionally been designed and explored with human expertise in a long-lasting trial-and-error process. This process requires huge amount of time, expertise, and resources. To address this tedious problem, we propose a novel algorithm to optimally find hyperparameters of a deep network architecture automatically. We specifically focus on designing neural architectures for medical image segmentation task. Our proposed method is based on a policy gradient reinforcement learning for which the reward function is assigned a segmentation evaluation utility (i.e., dice index). We show the efficacy of the proposed method with its low computational cost in comparison with the state-of-the-art medical image segmentation networks. We also present a new architecture design, a densely connected encoder-decoder CNN, as a strong baseline architecture to apply the proposed hyperparameter search algorithm. We apply the proposed algorithm to each layer of the baseline architectures. As an application, we train the proposed system on cine cardiac MR images from Automated Cardiac Diagnosis Challenge (ACDC) MICCAI 2017. Starting from a baseline segmentation architecture, the resulting network architecture obtains the state-of-the-art results in accuracy without performing any trial-and-error based architecture design approaches or close supervision of the hyperparameters changes.
Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models, and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across all datasets.
This paper proposes a method to modify traditional convolutional neural networks (CNNs) into interpretable CNNs, in order to clarify knowledge representations in high conv-layers of CNNs. In an interpretable CNN, each filter in a high conv-layer represents a certain object part. We do not need any annotations of object parts or textures to supervise the learning process. Instead, the interpretable CNN automatically assigns each filter in a high conv-layer with an object part during the learning process. Our method can be applied to different types of CNNs with different structures. The clear knowledge representation in an interpretable CNN can help people understand the logics inside a CNN, i.e., based on which patterns the CNN makes the decision. Experiments showed that filters in an interpretable CNN were more semantically meaningful than those in traditional CNNs.
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