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We study the problem of density estimation for a random vector ${\boldsymbol X}$ in $\mathbb R^d$ with probability density $f(\boldsymbol x)$. For a spanning tree $T$ defined on the vertex set $\{1,\dots ,d\}$, the tree density $f_{T}$ is a product of bivariate conditional densities. The optimal spanning tree $T^*$ is the spanning tree $T$, for which the Kullback-Leibler divergence of $f$ and $f_{T}$ is the smallest. From i.i.d. data we identify the optimal tree $T^*$ and computationally efficiently construct a tree density estimate $f_n$ such that, without any regularity conditions on the density $f$, one has that $\lim_{n\to \infty} \int |f_n(\boldsymbol x)-f_{T^*}(\boldsymbol x)|d\boldsymbol x=0$ a.s. For Lipschitz continuous $f$ with bounded support, $\mathbb E\{ \int |f_n(\boldsymbol x)-f_{T^*}(\boldsymbol x)|d\boldsymbol x\}=O(n^{-1/4})$.

Domain adaptation (DA) arises as an important problem in statistical machine learning when the source data used to train a model is different from the target data used to test the model. Recent advances in DA have mainly been application-driven and have largely relied on the idea of a common subspace for source and target data. To understand the empirical successes and failures of DA methods, we propose a theoretical framework via structural causal models that enables analysis and comparison of the prediction performance of DA methods. This framework also allows us to itemize the assumptions needed for the DA methods to have a low target error. Additionally, with insights from our theory, we propose a new DA method called CIRM that outperforms existing DA methods when both the covariates and label distributions are perturbed in the target data. We complement the theoretical analysis with extensive simulations to show the necessity of the devised assumptions. Reproducible synthetic and real data experiments are also provided to illustrate the strengths and weaknesses of DA methods when parts of the assumptions in our theory are violated.

We consider the problem of uncertainty quantification for an unknown low-rank matrix $\mathbf{X}$, given a partial and noisy observation of its entries. This quantification of uncertainty is essential for many real-world problems, including image processing, satellite imaging, and seismology, providing a principled framework for validating scientific conclusions and guiding decision-making. However, existing literature has mainly focused on the completion (i.e., point estimation) of the matrix $\mathbf{X}$, with little work on investigating its uncertainty. To this end, we propose in this work a new Bayesian modeling framework, called BayeSMG, which parametrizes the unknown $\mathbf{X}$ via its underlying row and column subspaces. This Bayesian subspace parametrization enables efficient posterior inference on matrix subspaces, which represents interpretable phenomena in many applications. This can then be leveraged for improved matrix recovery. We demonstrate the effectiveness of BayeSMG over existing Bayesian matrix recovery methods in numerical experiments, image inpainting, and a seismic sensor network application.

We show how to translate a subset of RISC-V machine code compiled from a subset of C to quadratic unconstrained binary optimization (QUBO) models that can be solved by a quantum annealing machine: given a bound $n$, there is input $I$ to a program $P$ such that $P$ runs into a given program state $E$ executing no more than $n$ machine instructions if and only if the QUBO model of $P$ for $n$ evaluates to 0 on $I$. Thus, with more qubits on the machine than variables in the QUBO model, quantum annealing the model reaches 0 (ground) energy in constant time with high probability on some input $I$ that is part of the ground state if and only if $P$ runs into $E$ on $I$ executing no more than $n$ instructions. Translation takes $\mathcal{O}(n^2)$ time effectively turning a quantum annealer into a polynomial-time symbolic execution engine and bounded model checker, eliminating their path and state explosion problems. Here, we take advantage of the fact that any machine instruction may only increase the size of the program state by a constant amount of bits. Translation time comes down from $\mathcal{O}(n^2)$ to $\mathcal{O}(n\cdot|P|)$ if memory consumption of $P$ is bounded by a constant, establishing a linear (quadratic) upper bound on quantum space, in number of qubits on a quantum annealer, in terms of algorithmic time (space) in classical computing. Our prototypical open-source toolchain translates machine code that runs on real RISC-V hardware to models that can be solved by real quantum annealing hardware, as shown in our experiments.

The structure of many complex networks includes edge directionality and weights on top of their topology. Network analysis that can seamlessly consider combination of these properties are desirable. In this paper, we study two important such network analysis techniques, namely, centrality and clustering. An information-flow based model is adopted for clustering, which itself builds upon an information theoretic measure for computing centrality. Our principal contributions include a generalized model of Markov entropic centrality with the flexibility to tune the importance of node degrees, edge weights and directions, with a closed-form asymptotic analysis. It leads to a novel two-stage graph clustering algorithm. The centrality analysis helps reason about the suitability of our approach to cluster a given graph, and determine `query' nodes, around which to explore local community structures, leading to an agglomerative clustering mechanism. The entropic centrality computations are amortized by our clustering algorithm, making it computationally efficient: compared to prior approaches using Markov entropic centrality for clustering, our experiments demonstrate multiple orders of magnitude of speed-up. Our clustering algorithm naturally inherits the flexibility to accommodate edge directionality, as well as different interpretations and interplay between edge weights and node degrees. Overall, this paper thus not only makes significant theoretical and conceptual contributions, but also translates the findings into artifacts of practical relevance, yielding new, effective and scalable centrality computations and graph clustering algorithms, whose efficacy has been validated through extensive benchmarking experiments.

We present Neural A*, a novel data-driven search method for path planning problems. Despite the recent increasing attention to data-driven path planning, a machine learning approach to search-based planning is still challenging due to the discrete nature of search algorithms. In this work, we reformulate a canonical A* search algorithm to be differentiable and couple it with a convolutional encoder to form an end-to-end trainable neural network planner. Neural A* solves a path planning problem by encoding a problem instance to a guidance map and then performing the differentiable A* search with the guidance map. By learning to match the search results with ground-truth paths provided by experts, Neural A* can produce a path consistent with the ground truth accurately and efficiently. Our extensive experiments confirmed that Neural A* outperformed state-of-the-art data-driven planners in terms of the search optimality and efficiency trade-off, and furthermore, successfully predicted realistic human trajectories by directly performing search-based planning on natural image inputs.

Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is more parameter efficient. In this paper, we design ensembles not only over weights, but over hyperparameters to improve the state of the art in both settings. For best performance independent of budget, we propose hyper-deep ensembles, a simple procedure that involves a random search over different hyperparameters, themselves stratified across multiple random initializations. Its strong performance highlights the benefit of combining models with both weight and hyperparameter diversity. We further propose a parameter efficient version, hyper-batch ensembles, which builds on the layer structure of batch ensembles and self-tuning networks. The computational and memory costs of our method are notably lower than typical ensembles. On image classification tasks, with MLP, LeNet, and Wide ResNet 28-10 architectures, our methodology improves upon both deep and batch ensembles.

Reinforcement learning (RL) is a popular paradigm for addressing sequential decision tasks in which the agent has only limited environmental feedback. Despite many advances over the past three decades, learning in many domains still requires a large amount of interaction with the environment, which can be prohibitively expensive in realistic scenarios. To address this problem, transfer learning has been applied to reinforcement learning such that experience gained in one task can be leveraged when starting to learn the next, harder task. More recently, several lines of research have explored how tasks, or data samples themselves, can be sequenced into a curriculum for the purpose of learning a problem that may otherwise be too difficult to learn from scratch. In this article, we present a framework for curriculum learning (CL) in reinforcement learning, and use it to survey and classify existing CL methods in terms of their assumptions, capabilities, and goals. Finally, we use our framework to find open problems and suggest directions for future RL curriculum learning research.

Training large deep neural networks on massive datasets is computationally very challenging. There has been recent surge in interest in using large batch stochastic optimization methods to tackle this issue. The most prominent algorithm in this line of research is LARS, which by employing layerwise adaptive learning rates trains ResNet on ImageNet in a few minutes. However, LARS performs poorly for attention models like BERT, indicating that its performance gains are not consistent across tasks. In this paper, we first study a principled layerwise adaptation strategy to accelerate training of deep neural networks using large mini-batches. Using this strategy, we develop a new layerwise adaptive large batch optimization technique called LAMB; we then provide convergence analysis of LAMB as well as LARS, showing convergence to a stationary point in general nonconvex settings. Our empirical results demonstrate the superior performance of LAMB across various tasks such as BERT and ResNet-50 training with very little hyperparameter tuning. In particular, for BERT training, our optimizer enables use of very large batch sizes of 32868 without any degradation of performance. By increasing the batch size to the memory limit of a TPUv3 Pod, BERT training time can be reduced from 3 days to just 76 minutes (Table 1).

Machine translation is a popular test bed for research in neural sequence-to-sequence models but despite much recent research, there is still a lack of understanding of these models. Practitioners report performance degradation with large beams, the under-estimation of rare words and a lack of diversity in the final translations. Our study relates some of these issues to the inherent uncertainty of the task, due to the existence of multiple valid translations for a single source sentence, and to the extrinsic uncertainty caused by noisy training data. We propose tools and metrics to assess how uncertainty in the data is captured by the model distribution and how it affects search strategies that generate translations. Our results show that search works remarkably well but that the models tend to spread too much probability mass over the hypothesis space. Next, we propose tools to assess model calibration and show how to easily fix some shortcomings of current models. We release both code and multiple human reference translations for two popular benchmarks.