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Iterative approximation methods using backpropagation enable the optimization of neural networks, but they remain computationally expensive, especially when used at scale. This paper presents an efficient alternative for optimizing neural networks that reduces the costs of scaling neural networks and provides high-efficiency optimizations for low-resource applications. We will discuss a general result about feed-forward neural networks and then extend this solution to compositional (mult-layer) networks, which are applied to a simplified transformer block containing feed-forward and self-attention layers. These models are used to train highly-specified and complex multi-layer neural architectures that we refer to as self-attentive feed-forward unit (SAFFU) layers, which we use to develop a transformer that appears to generalize well over small, cognitively-feasible, volumes of data. Testing demonstrates explicit solutions outperform models optimized by backpropagation alone. Moreover, further application of backpropagation after explicit solutions leads to better optima from smaller scales of data, training effective models from much less data is enabled by explicit solution warm starts. We then carry out ablation experiments training a roadmap of about 250 transformer models over 1-million tokens to determine ideal settings. We find that multiple different architectural variants produce highly-performant models, and discover from this ablation that some of the best are not the most parameterized. This appears to indicate well-generalized models could be reached using less data by using explicit solutions, and that architectural exploration using explicit solutions pays dividends in guiding the search for efficient variants with fewer parameters, and which could be incorporated into low-resource hardware where AI might be embodied.

Quantile regression and conditional density estimation can reveal structure that is missed by mean regression, such as multimodality and skewness. In this paper, we introduce a deep learning generative model for joint quantile estimation called Penalized Generative Quantile Regression (PGQR). Our approach simultaneously generates samples from many random quantile levels, allowing us to infer the conditional distribution of a response variable given a set of covariates. Our method employs a novel variability penalty to avoid the problem of vanishing variability, or memorization, in deep generative models. Further, we introduce a new family of partial monotonic neural networks (PMNN) to circumvent the problem of crossing quantile curves. A major benefit of PGQR is that it can be fit using a single optimization, thus bypassing the need to repeatedly train the model at multiple quantile levels or use computationally expensive cross-validation to tune the penalty parameter. We illustrate the efficacy of PGQR through extensive simulation studies and analysis of real datasets. Code to implement our method is available at //github.com/shijiew97/PGQR.

Infertility is a global health problem, and an increasing number of couples are seeking medical assistance to achieve reproduction, at least half of which are caused by men. The success rate of assisted reproductive technologies depends on sperm assessment, in which experts determine whether sperm can be used for reproduction based on morphology and motility of sperm. Previous sperm assessment studies with deep learning have used datasets comprising images that include only sperm heads, which cannot consider motility and other morphologies of sperm. Furthermore, the labels of the dataset are one-hot, which provides insufficient support for experts, because assessment results are inconsistent between experts, and they have no absolute answer. Therefore, we constructed the video dataset for sperm assessment whose videos include sperm head as well as neck and tail, and its labels were annotated with soft-label. Furthermore, we proposed the sperm assessment framework and the neural network, RoSTFine, for sperm video recognition. Experimental results showed that RoSTFine could improve the sperm assessment performances compared to existing video recognition models and focus strongly on important sperm parts (i.e., head and neck).

Path reasoning methods over knowledge graphs have gained popularity for their potential to improve transparency in recommender systems. However, the resulting models still rely on pre-trained knowledge graph embeddings, fail to fully exploit the interdependence between entities and relations in the KG for recommendation, and may generate inaccurate explanations. In this paper, we introduce PEARLM, a novel approach that efficiently captures user behaviour and product-side knowledge through language modelling. With our approach, knowledge graph embeddings are directly learned from paths over the KG by the language model, which also unifies entities and relations in the same optimisation space. Constraints on the sequence decoding additionally guarantee path faithfulness with respect to the KG. Experiments on two datasets show the effectiveness of our approach compared to state-of-the-art baselines. Source code and datasets: AVAILABLE AFTER GETTING ACCEPTED.

The first part of this thesis focuses on maximizing the overall recommendation accuracy. This accuracy is usually evaluated with some user-oriented metric tailored to the recommendation scenario, but because recommendation is usually treated as a machine learning problem, recommendation models are trained to maximize some other generic criteria that does not necessarily align with the criteria ultimately captured by the user-oriented evaluation metric. Recent research aims at bridging this gap between training and evaluation via direct ranking optimization, but still assumes that the metric used for evaluation should also be the metric used for training. We challenge this assumption, mainly because some metrics are more informative than others. Indeed, we show that models trained via the optimization of a loss inspired by Rank-Biased Precision (RBP) tend to yield higher accuracy, even when accuracy is measured with metrics other than RBP. However, the superiority of this RBP-inspired loss stems from further benefiting users who are already well-served, rather than helping those who are not. This observation inspires the second part of this thesis, where our focus turns to helping non-mainstream users. These are users who are difficult to recommend to either because there is not enough data to model them, or because they have niche taste and thus few similar users to look at when recommending in a collaborative way. These differences in mainstreamness introduce a bias reflected in an accuracy gap between users or user groups, which we try to narrow.

Learning the ability to generalize knowledge between similar contexts is particularly important in medical imaging as data distributions can shift substantially from one hospital to another, or even from one machine to another. To strengthen generalization, most state-of-the-art techniques inject knowledge of the data distribution shifts by enforcing constraints on learned features or regularizing parameters. We offer an alternative approach: Learning from Privileged Medical Imaging Information (LPMII). We show that using some privileged information such as tumor shape or location leads to stronger domain generalization ability than current state-of-the-art techniques. This paper demonstrates that by using privileged information to predict the severity of intra-layer retinal fluid in optical coherence tomography scans, the classification accuracy of a deep learning model operating on out-of-distribution data improves from $0.911$ to $0.934$. This paper provides a strong starting point for using privileged information in other medical problems requiring generalization.

Causal disentanglement aims to uncover a representation of data using latent variables that are interrelated through a causal model. Such a representation is identifiable if the latent model that explains the data is unique. In this paper, we focus on the scenario where unpaired observational and interventional data are available, with each intervention changing the mechanism of a latent variable. When the causal variables are fully observed, statistically consistent algorithms have been developed to identify the causal model under faithfulness assumptions. We here show that identifiability can still be achieved with unobserved causal variables, given a generalized notion of faithfulness. Our results guarantee that we can recover the latent causal model up to an equivalence class and predict the effect of unseen combinations of interventions, in the limit of infinite data. We implement our causal disentanglement framework by developing an autoencoding variational Bayes algorithm and apply it to the problem of predicting combinatorial perturbation effects in genomics.

As soon as abstract mathematical computations were adapted to computation on digital computers, the problem of efficient representation, manipulation, and communication of the numerical values in those computations arose. Strongly related to the problem of numerical representation is the problem of quantization: in what manner should a set of continuous real-valued numbers be distributed over a fixed discrete set of numbers to minimize the number of bits required and also to maximize the accuracy of the attendant computations? This perennial problem of quantization is particularly relevant whenever memory and/or computational resources are severely restricted, and it has come to the forefront in recent years due to the remarkable performance of Neural Network models in computer vision, natural language processing, and related areas. Moving from floating-point representations to low-precision fixed integer values represented in four bits or less holds the potential to reduce the memory footprint and latency by a factor of 16x; and, in fact, reductions of 4x to 8x are often realized in practice in these applications. Thus, it is not surprising that quantization has emerged recently as an important and very active sub-area of research in the efficient implementation of computations associated with Neural Networks. In this article, we survey approaches to the problem of quantizing the numerical values in deep Neural Network computations, covering the advantages/disadvantages of current methods. With this survey and its organization, we hope to have presented a useful snapshot of the current research in quantization for Neural Networks and to have given an intelligent organization to ease the evaluation of future research in this area.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

Incompleteness is a common problem for existing knowledge graphs (KGs), and the completion of KG which aims to predict links between entities is challenging. Most existing KG completion methods only consider the direct relation between nodes and ignore the relation paths which contain useful information for link prediction. Recently, a few methods take relation paths into consideration but pay less attention to the order of relations in paths which is important for reasoning. In addition, these path-based models always ignore nonlinear contributions of path features for link prediction. To solve these problems, we propose a novel KG completion method named OPTransE. Instead of embedding both entities of a relation into the same latent space as in previous methods, we project the head entity and the tail entity of each relation into different spaces to guarantee the order of relations in the path. Meanwhile, we adopt a pooling strategy to extract nonlinear and complex features of different paths to further improve the performance of link prediction. Experimental results on two benchmark datasets show that the proposed model OPTransE performs better than state-of-the-art methods.