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Although machine learning (ML) has been successful in automating various software engineering needs, software testing still remains a highly challenging topic. In this paper, we aim to improve the generative testing of software by directly augmenting the random number generator (RNG) with a deep reinforcement learning (RL) agent using an efficient, automatically extractable state representation of the software under test. Using the Cosmos SDK as the testbed, we show that the proposed DeepRNG framework provides a statistically significant improvement to the testing of the highly complex software library with over 350,000 lines of code. The source code of the DeepRNG framework is publicly available online., Comment: Workshop on ML for Systems, 35th Conference on Neural Information Processing Systems (NeurIPS 2021)

In image generation, generative models can be evaluated naturally by visually inspecting model outputs. However, this is not always the case for graph generative models (GGMs), making their evaluation challenging. Currently, the standard process for evaluating GGMs suffers from three critical limitations: i) it does not produce a single score which makes model selection challenging, ii) in many cases it fails to consider underlying edge and node features, and iii) it is prohibitively slow to perform. In this work, we mitigate these issues by searching for scalar, domain-agnostic, and scalable metrics for evaluating and ranking GGMs. To this end, we study existing GGM metrics and neural-network-based metrics emerging from generative models of images that use embeddings extracted from a task-specific network. Motivated by the power of certain Graph Neural Networks (GNNs) to extract meaningful graph representations without any training, we introduce several metrics based on the features extracted by an untrained random GNN. We design experiments to thoroughly test metrics on their ability to measure the diversity and fidelity of generated graphs, as well as their sample and computational efficiency. Depending on the quantity of samples, we recommend one of two random-GNN-based metrics that we show to be more expressive than pre-existing metrics. While we focus on applying these metrics to GGM evaluation, in practice this enables the ability to easily compute the dissimilarity between any two sets of graphs regardless of domain. Our code is released at: https://github.com/uoguelph-mlrg/GGM-metrics., Comment: Published as a conference paper at ICLR 2022

A critical challenge of training deep learning models in the Digital Pathology (DP) domain is the high annotation cost by medical experts. One way to tackle this issue is via transfer learning from the natural image domain (NI), where the annotation cost is considerably cheaper. Cross-domain transfer learning from NI to DP is shown to be successful via class labels. One potential weakness of relying on class labels is the lack of spatial information, which can be obtained from spatial labels such as full pixel-wise segmentation labels and scribble labels. We demonstrate that scribble labels from NI domain can boost the performance of DP models on two cancer classification datasets (Patch Camelyon Breast Cancer and Colorectal Cancer dataset). Furthermore, we show that models trained with scribble labels yield the same performance boost as full pixel-wise segmentation labels despite being significantly easier and faster to collect., Comment: To appear in IEEE International Symposium on Biomedical Imaging (ISBI) 2022

Recent advancements in self-supervised learning have reduced the gap between supervised and unsupervised representation learning. However, most self-supervised and deep clustering techniques rely heavily on data augmentation, rendering them ineffective for many learning tasks where insufficient domain knowledge exists for performing augmentation. We propose a new self-distillation based algorithm for domain-agnostic clustering. Our method builds upon the existing deep clustering frameworks and requires no separate student model. The proposed method outperforms existing domain agnostic (augmentation-free) algorithms on CIFAR-10. We empirically demonstrate that knowledge distillation can improve unsupervised representation learning by extracting richer `dark knowledge' from the model than using predicted labels alone. Preliminary experiments also suggest that self-distillation improves the convergence of DeepCluster-v2., Comment: NeurIPS 2021 Workshop: Self-Supervised Learning - Theory and Practice

Neural bandits have been shown to provide an efficient solution to practical sequential decision tasks that have nonlinear reward functions. The main contributor to that success is approximate Bayesian inference, which enables neural network (NN) training with uncertainty estimates. However, Bayesian NNs often suffer from a prohibitive computational overhead or operate on a subset of parameters. Alternatively, certain classes of infinite neural networks were shown to directly correspond to Gaussian processes (GP) with neural kernels (NK). NK-GPs provide accurate uncertainty estimates and can be trained faster than most Bayesian NNs. We propose to guide common bandit policies with NK distributions and show that NK bandits achieve state-of-the-art performance on nonlinear structured data. Moreover, we propose a framework for measuring independently the ability of a bandit algorithm to learn representations and explore, and use it to analyze the impact of NK distributions w.r.t.~those two aspects. We consider policies based on a GP and a Student's t-process (TP). Furthermore, we study practical considerations, such as training frequency and model partitioning. We believe our work will help better understand the impact of utilizing NKs in applied settings., Comment: Extended version. Added a major experiment comparing NK distribution w.r.t. exploration and exploitation. Submitted to ICLR 2023

Discovering a solution in a combinatorial space is prevalent in many real-world problems but it is also challenging due to diverse complex constraints and the vast number of possible combinations. To address such a problem, we introduce a novel formulation, combinatorial construction, which requires a building agent to assemble unit primitives (i.e., LEGO bricks) sequentially -- every connection between two bricks must follow a fixed rule, while no bricks mutually overlap. To construct a target object, we provide incomplete knowledge about the desired target (i.e., 2D images) instead of exact and explicit volumetric information to the agent. This problem requires a comprehensive understanding of partial information and long-term planning to append a brick sequentially, which leads us to employ reinforcement learning. The approach has to consider a variable-sized action space where a large number of invalid actions, which would cause overlap between bricks, exist. To resolve these issues, our model, dubbed Brick-by-Brick, adopts an action validity prediction network that efficiently filters invalid actions for an actor-critic network. We demonstrate that the proposed method successfully learns to construct an unseen object conditioned on a single image or multiple views of a target object., Comment: 21 pages, 13 figures, 7 tables. Accepted at the 35th Conference on Neural Information Processing Systems (NeurIPS 2021)

Deep learning has been successful in automating the design of features in machine learning pipelines. However, the algorithms optimizing neural network parameters remain largely hand-designed and computationally inefficient. We study if we can use deep learning to directly predict these parameters by exploiting the past knowledge of training other networks. We introduce a large-scale dataset of diverse computational graphs of neural architectures - DeepNets-1M - and use it to explore parameter prediction on CIFAR-10 and ImageNet. By leveraging advances in graph neural networks, we propose a hypernetwork that can predict performant parameters in a single forward pass taking a fraction of a second, even on a CPU. The proposed model achieves surprisingly good performance on unseen and diverse networks. For example, it is able to predict all 24 million parameters of a ResNet-50 achieving a 60% accuracy on CIFAR-10. On ImageNet, top-5 accuracy of some of our networks approaches 50%. Our task along with the model and results can potentially lead to a new, more computationally efficient paradigm of training networks. Our model also learns a strong representation of neural architectures enabling their analysis., Comment: NeurIPS 2021 camera ready, the code is available at https://github.com/facebookresearch/ppuda

The entropy-based moment method is a well-known discretization for the velocity variable in kinetic equations which has many desirable theoretical properties but is difficult to implement with high-order numerical methods. The regularized entropy-based moment method was recently introduced to remove one of the main challenges in the implementation of the entropy-based moment method, namely the requirement of the realizability of the numerical solution. In this work we use the method of relative entropy to prove the convergence of the regularized method to the original method as the regularization parameter goes to zero and give convergence rates. Our main assumptions are the boundedness of the velocity domain and that the original moment solution is Lipschitz continuous in space and bounded away from the boundary of realizability. We provide results from numerical simulations showing that the convergence rates we prove are optimal.

We tackle the challenge of learning a distribution over complex, realistic, indoor scenes. In this paper, we introduce Generative Scene Networks (GSN), which learns to decompose scenes into a collection of many local radiance fields that can be rendered from a free moving camera. Our model can be used as a prior to generate new scenes, or to complete a scene given only sparse 2D observations. Recent work has shown that generative models of radiance fields can capture properties such as multi-view consistency and view-dependent lighting. However, these models are specialized for constrained viewing of single objects, such as cars or faces. Due to the size and complexity of realistic indoor environments, existing models lack the representational capacity to adequately capture them. Our decomposition scheme scales to larger and more complex scenes while preserving details and diversity, and the learned prior enables high-quality rendering from viewpoints that are significantly different from observed viewpoints. When compared to existing models, GSN produces quantitatively higher-quality scene renderings across several different scene datasets.

We consider the task of semi-supervised semantic segmentation, where we aim to produce pixel-wise semantic object masks given only a small number of human-labeled training examples. We focus on iterative self-training methods in which we explore the behavior of self-training over multiple refinement stages. We show that iterative self-training leads to performance degradation if done na\"ively with a fixed ratio of human-labeled to pseudo-labeled training examples. We propose Greedy Iterative Self-Training (GIST) and Random Iterative Self-Training (RIST) strategies that alternate between training on either human-labeled data or pseudo-labeled data at each refinement stage, resulting in a performance boost rather than degradation. We further show that GIST and RIST can be combined with existing semi-supervised learning methods to boost performance., Comment: To appear in the Conference on Computer and Robot Vision (CRV), 2022

Hairstyle transfer is challenging due to hair structure differences in the source and target hair. Therefore, we propose Latent Optimization of Hairstyles via Orthogonalization (LOHO), an optimization-based approach using GAN inversion to infill missing hair structure details in latent space during hairstyle transfer. Our approach decomposes hair into three attributes: perceptual structure, appearance, and style, and includes tailored losses to model each of these attributes independently. Furthermore, we propose two-stage optimization and gradient orthogonalization to enable disentangled latent space optimization of our hair attributes. Using LOHO for latent space manipulation, users can synthesize novel photorealistic images by manipulating hair attributes either individually or jointly, transferring the desired attributes from reference hairstyles. LOHO achieves a superior FID compared with the current state-of-the-art (SOTA) for hairstyle transfer. Additionally, LOHO preserves the subject's identity comparably well according to PSNR and SSIM when compared to SOTA image embedding pipelines. Code is available at https://github.com/dukebw/LOHO., Comment: CVPR 2021

In this paper we introduce a Transformer-based approach to video object segmentation (VOS). To address compounding error and scalability issues of prior work, we propose a scalable, end-to-end method for VOS called Sparse Spatiotemporal Transformers (SST). SST extracts per-pixel representations for each object in a video using sparse attention over spatiotemporal features. Our attention-based formulation for VOS allows a model to learn to attend over a history of multiple frames and provides suitable inductive bias for performing correspondence-like computations necessary for solving motion segmentation. We demonstrate the effectiveness of attention-based over recurrent networks in the spatiotemporal domain. Our method achieves competitive results on YouTube-VOS and DAVIS 2017 with improved scalability and robustness to occlusions compared with the state of the art. Code is available at https://github.com/dukebw/SSTVOS., Comment: CVPR 2021 (Oral)

A key component for the realization of silicon-photonics are integrated lasers operating in the important communications band near 1.55 ${\mu}$m. One approach is through the use of GaSb-based alloys which may be grown directly on silicon. In this study, silicon-compatible strained Ga$_{0.8}$In$_{0.2}$Sb/Al$_{0.35}$Ga$_{0.65}$As$_{0.03}$Sb$_{0.97}$ composite quantum well (CQW) lasers grown on GaSb substrates emitting at 1.55 ${\mu}$m have been developed and investigated in terms of their thermal performance. Variable temperature and high-pressure techniques were used to investigate the influence of device design on performance. These measurements show that the temperature dependence of the devices is dominated by carrier leakage to the X minima of the Al$_{0.35}$Ga$_{0.65}$As$_{0.03}$Sb$_{0.97}$ barrier layers accounting for up to 43% of the threshold current at room temperature. Improvement in device performance may be possible through refinements in the CQW design, while carrier confinement may be improved by optimization of the barrier layer composition. This investigation provides valuable design insights for the monolithic integration of GaSb-based lasers on silicon.

Generative models are now used to create a variety of high-quality digital artifacts. Yet their use in designing physical objects has received far less attention. In this paper, we advocate for the construction toy, LEGO, as a platform for developing generative models of sequential assembly. We develop a generative model based on graph-structured neural networks that can learn from human-built structures and produce visually compelling designs. Our code is released at: https://github.com/uoguelph-mlrg/GenerativeLEGO., Comment: NeurIPS 2020 ML4eng workshop paper

Neural combinatorial optimization (NCO) aims at designing problem-independent and efficient neural network-based strategies for solving combinatorial problems. The field recently experienced growth by successfully adapting architectures originally designed for machine translation. Even though the results are promising, a large gap still exists between NCO models and classic deterministic solvers, both in terms of accuracy and efficiency. One of the drawbacks of current approaches is the inefficiency of training on multiple problem sizes. Curriculum learning strategies have been shown helpful in increasing performance in the multi-task setting. In this work, we focus on designing a curriculum learning-based training procedure that can help existing architectures achieve competitive performance on a large range of problem sizes simultaneously. We provide a systematic investigation of several training procedures and use the insights gained to motivate application of a psychologically-inspired approach to improve upon the classic curriculum method., Comment: Presented at Workshop on Learning Meets Combinatorial Algorithms at NeurIPS 2020

In neuroscience, a tuning dimension is a stimulus attribute that accounts for much of the activation variance of a group of neurons. These are commonly used to decipher the responses of such groups. While researchers have attempted to manually identify an analogue to these tuning dimensions in deep neural networks, we are unaware of an automatic way to discover them. This work contributes an unsupervised framework for identifying and interpreting "tuning dimensions" in deep networks. Our method correctly identifies the tuning dimensions of a synthetic Gabor filter bank and tuning dimensions of the first two layers of InceptionV1 trained on ImageNet., Comment: 15 pages, 12 figures, Camera-ready for Shared Visual Representations in Human & Machine Intelligence NeurIPS Workshop 2020

Although the expectation maximisation (EM) algorithm was introduced in 1970, it remains somewhat inaccessible to machine learning practitioners due to its obscure notation, terse proofs and lack of concrete links to modern machine learning techniques like autoencoded variational Bayes. This has resulted in gaps in the AI literature concerning the meaning of such concepts like "latent variables" and "variational lower bound," which are frequently used but often not clearly explained. The roots of these ideas lie in the EM algorithm. We first give a tutorial presentation of the EM algorithm for estimating the parameters of a $K$-component mixture density. The Gaussian mixture case is presented in detail using $K$-ary scalar hidden (or latent) variables rather than the more traditional binary valued $K$-dimenional vectors. This presentation is motivated by mixture modelling from the target tracking literature. In a similar style to Bishop's 2009 book, we present variational Bayesian inference as a generalised EM algorithm stemming from the variational (or evidential) lower bound, as well as the technique of mean field approximation (or product density transform). We continue the evolution from EM to variational autoencoders, developed by Kingma & Welling in 2014. In so doing, we establish clear links between the EM algorithm and its variational counterparts, hence clarifying the meaning of "latent variables." We provide a detailed coverage of the "reparametrisation trick" and focus on how the AEVB differs from conventional variational Bayesian inference. Throughout the tutorial, consistent notational conventions are used. This unifies the narrative and clarifies the concepts. Some numerical examples are given to further illustrate the algorithms., Comment: 27 pages, 5 figures

Recent advances in Generative Adversarial Networks (GANs) have led to their widespread adoption for the purposes of generating high quality synthetic imagery. While capable of generating photo-realistic images, these models often produce unrealistic samples which fall outside of the data manifold. Several recently proposed techniques attempt to avoid spurious samples, either by rejecting them after generation, or by truncating the model's latent space. While effective, these methods are inefficient, as a large fraction of training time and model capacity are dedicated towards samples that will ultimately go unused. In this work we propose a novel approach to improve sample quality: altering the training dataset via instance selection before model training has taken place. By refining the empirical data distribution before training, we redirect model capacity towards high-density regions, which ultimately improves sample fidelity, lowers model capacity requirements, and significantly reduces training time. Code is available at https://github.com/uoguelph-mlrg/instance_selection_for_gans., Comment: Accepted to NeurIPS 2020

Inferring objects and their relationships from an image in the form of a scene graph is useful in many applications at the intersection of vision and language. We consider a challenging problem of compositional generalization that emerges in this task due to a long tail data distribution. Current scene graph generation models are trained on a tiny fraction of the distribution corresponding to the most frequent compositions, e.g. . However, test images might contain zero- and few-shot compositions of objects and relationships, e.g. . Despite each of the object categories and the predicate (e.g. 'on') being frequent in the training data, the models often fail to properly understand such unseen or rare compositions. To improve generalization, it is natural to attempt increasing the diversity of the training distribution. However, in the graph domain this is non-trivial. To that end, we propose a method to synthesize rare yet plausible scene graphs by perturbing real ones. We then propose and empirically study a model based on conditional generative adversarial networks (GANs) that allows us to generate visual features of perturbed scene graphs and learn from them in a joint fashion. When evaluated on the Visual Genome dataset, our approach yields marginal, but consistent improvements in zero- and few-shot metrics. We analyze the limitations of our approach indicating promising directions for future research., Comment: ICCV 2021 camera ready. Added more baselines, combining GANs with Neural Motifs and t-sne visualizations. Code is available at https://github.com/bknyaz/sgg

Continual learning is the problem of sequentially learning new tasks or knowledge while protecting previously acquired knowledge. However, catastrophic forgetting poses a grand challenge for neural networks performing such learning process. Thus, neural networks that are deployed in the real world often struggle in scenarios where the data distribution is non-stationary (concept drift), imbalanced, or not always fully available, i.e., rare edge cases. We propose a Differentiable Hebbian Consolidation model which is composed of a Differentiable Hebbian Plasticity (DHP) Softmax layer that adds a rapid learning plastic component (compressed episodic memory) to the fixed (slow changing) parameters of the softmax output layer; enabling learned representations to be retained for a longer timescale. We demonstrate the flexibility of our method by integrating well-known task-specific synaptic consolidation methods to penalize changes in the slow weights that are important for each target task. We evaluate our approach on the Permuted MNIST, Split MNIST and Vision Datasets Mixture benchmarks, and introduce an imbalanced variant of Permuted MNIST -- a dataset that combines the challenges of class imbalance and concept drift. Our proposed model requires no additional hyperparameters and outperforms comparable baselines by reducing forgetting., Comment: Published as a conference paper at IJCNN 2020

Covariance data as represented by symmetric positive definite (SPD) matrices are ubiquitous throughout technical study as efficient descriptors of interdependent systems. Euclidean analysis of SPD matrices, while computationally fast, can lead to skewed and even unphysical interpretations of data. Riemannian methods preserve the geometric structure of SPD data at the cost of expensive eigenvalue computations. In this paper, we propose a geometric method for unsupervised clustering of SPD data based on the Thompson metric. This technique relies upon a novel "inductive midrange" centroid computation for SPD data, whose properties are examined and numerically confirmed. We demonstrate the incorporation of the Thompson metric and inductive midrange into X-means and K-means++ clustering algorithms.

Scene graph generation (SGG) aims to predict graph-structured descriptions of input images, in the form of objects and relationships between them. This task is becoming increasingly useful for progress at the interface of vision and language. Here, it is important - yet challenging - to perform well on novel (zero-shot) or rare (few-shot) compositions of objects and relationships. In this paper, we identify two key issues that limit such generalization. Firstly, we show that the standard loss used in this task is unintentionally a function of scene graph density. This leads to the neglect of individual edges in large sparse graphs during training, even though these contain diverse few-shot examples that are important for generalization. Secondly, the frequency of relationships can create a strong bias in this task, such that a blind model predicting the most frequent relationship achieves good performance. Consequently, some state-of-the-art models exploit this bias to improve results. We show that such models can suffer the most in their ability to generalize to rare compositions, evaluating two different models on the Visual Genome dataset and its more recent, improved version, GQA. To address these issues, we introduce a density-normalized edge loss, which provides more than a two-fold improvement in certain generalization metrics. Compared to other works in this direction, our enhancements require only a few lines of code and no added computational cost. We also highlight the difficulty of accurately evaluating models using existing metrics, especially on zero/few shots, and introduce a novel weighted metric., Comment: accepted at BMVC 2020, the code is available at https://github.com/bknyaz/sgg