Machine learning is a prevalent approach to tame the complexity of design space exploration for domain-specific architectures. Using ML for design space exploration poses challenges. First, it's not straightforward to identify the suitable algorithm from an increasing pool of ML methods. Second, assessing the trade-offs between performance and sample efficiency across these methods is inconclusive. Finally, lack of a holistic framework for fair, reproducible, and objective comparison across these methods hinders progress of adopting ML-aided architecture design space exploration and impedes creating repeatable artifacts. To mitigate these challenges, we introduce ArchGym, an open-source gym and easy-to-extend framework that connects diverse search algorithms to architecture simulators. To demonstrate utility, we evaluate ArchGym across multiple vanilla and domain-specific search algorithms in designing custom memory controller, deep neural network accelerators, and custom SoC for AR/VR workloads, encompassing over 21K experiments. Results suggest that with unlimited samples, ML algorithms are equally favorable to meet user-defined target specification if hyperparameters are tuned; no solution is necessarily better than another (e.g., reinforcement learning vs. Bayesian methods). We coin the term hyperparameter lottery to describe the chance for a search algorithm to find an optimal design provided meticulously selected hyperparameters. The ease of data collection and aggregation in ArchGym facilitates research in ML-aided architecture design space exploration. As a case study, we show this advantage by developing a proxy cost model with an RMSE of 0.61% that offers a 2,000-fold reduction in simulation time. Code and data for ArchGym is available at https://bit.ly/ArchGym.

Decentralized multi-agent reinforcement learning (MARL) algorithms have become popular in the literature since it allows heterogeneous agents to have their own reward functions as opposed to canonical multi-agent Markov Decision Process (MDP) settings which assume common reward functions over all agents. In this work, we follow the existing work on collaborative MARL where agents in a connected time varying network can exchange information among each other in order to reach a consensus. We introduce vulnerabilities in the consensus updates of existing MARL algorithms where agents can deviate from their usual consensus update, who we term as adversarial agents. We then proceed to provide an algorithm that allows non-adversarial agents to reach a consensus in the presence of adversaries under a constrained setting.

Probabilistic programming combines general computer programming, statistical inference, and formal semantics to help systems make decisions when facing uncertainty. Probabilistic programs are ubiquitous, including having a significant impact on machine intelligence. While many probabilistic algorithms have been used in practice in different domains, their automated verification based on formal semantics is still a relatively new research area. In the last two decades, it has attracted much interest. Many challenges, however, remain. The work presented in this paper, probabilistic relations, takes a step towards our vision to tackle these challenges. Our work is based on Hehner's predicative probabilistic programming, but there are several obstacles to the broader adoption of his work. Our contributions here include (1) the formalisation of its syntax and semantics by introducing an Iverson bracket notation to separate relations from arithmetic; (2) the formalisation of relations using Unifying Theories of Programming (UTP) and probabilities outside the brackets using summation over the topological space of the real numbers; (3) the constructive semantics for probabilistic loops using Kleene's fixed-point theorem; (4) the enrichment of its semantics from distributions to subdistributions and superdistributions to deal with the constructive semantics; (5) the unique fixed-point theorem to simplify the reasoning about probabilistic loops; and (6) the mechanisation of our theory in Isabelle/UTP, an implementation of UTP in Isabelle/HOL, for automated reasoning using theorem proving. We demonstrate our work with six examples, including problems in robot localisation, classification in machine learning, and the termination of probabilistic loops.

Accurately detecting crack boundaries is crucial for reliability assessment and risk management of structures and materials, such as structural health monitoring, diagnostics, prognostics, and maintenance scheduling. Uncertainty quantification of crack detection is challenging due to various stochastic factors, such as measurement noises, signal processing, and model simplifications. A machine learning-based approach is proposed to quantify both epistemic and aleatoric uncertainties concurrently. We introduce a Bayesian Boundary-Aware Convolutional Network (B-BACN) that emphasizes uncertainty-aware boundary refinement to generate precise and reliable crack boundary detections. The proposed method employs a multi-task learning approach, where we use Monte Carlo Dropout to learn the epistemic uncertainty and a Gaussian sampling function to predict each sample's aleatoric uncertainty. Moreover, we include a boundary refinement loss to B-BACN to enhance the determination of defect boundaries. The proposed method is demonstrated with benchmark experimental results and compared with several existing methods. The experimental results illustrate the effectiveness of our proposed approach in uncertainty-aware crack boundary detection, minimizing misclassification rate, and improving model calibration capabilities.

Fixed-budget best-arm identification (BAI) is a bandit problem where the agent maximizes the probability of identifying the optimal arm within a fixed budget of observations. In this work, we study this problem in the Bayesian setting. We propose a Bayesian elimination algorithm and derive an upper bound on its probability of misidentifying the optimal arm. The bound reflects the quality of the prior and is the first distribution-dependent bound in this setting. We prove it using a frequentist-like argument, where we carry the prior through, and then integrate out the bandit instance at the end. We also provide a lower bound on the probability of misidentification in a $2$-armed Bayesian bandit and show that our upper bound (almost) matches it for any budget. Our experiments show that Bayesian elimination is superior to frequentist methods and competitive with the state-of-the-art Bayesian algorithms that have no guarantees in our setting.

Reinforcement Learning (RL) algorithms can solve challenging control problems directly from image observations, but they often require millions of environment interactions to do so. Recently, model-based RL algorithms have greatly improved sample-efficiency by concurrently learning an internal model of the world, and supplementing real environment interactions with imagined rollouts for policy improvement. However, learning an effective model of the world from scratch is challenging, and in stark contrast to humans that rely heavily on world understanding and visual cues for learning new skills. In this work, we investigate whether internal models learned by modern model-based RL algorithms can be leveraged to solve new, distinctly different tasks faster. We propose Model-Based Cross-Task Transfer (XTRA), a framework for sample-efficient online RL with scalable pretraining and finetuning of learned world models. By offline multi-task pretraining and online cross-task finetuning, we achieve substantial improvements over a baseline trained from scratch; we improve mean performance of model-based algorithm EfficientZero by 23%, and by as much as 71% in some instances. Learning Environment (ALE; (Bellemare et al., 2013)) has This task suite has Figure 1. Most recently, EfficientZero Ye et al. (2021), a model-based RL algorithm, has demonstrated impressive sample-efficiency, surpassing human-level performance with as little as 2 hours of real-time game play in select Atari 2600 games from the ALE. This achievement is attributed, in part, to the algorithm concurrently learning an internal model of the environment from interaction, and using the learned model to imagine (simulate) further interactions for planning and policy improvement, thus reducing reliance on real environment interactions for skill acquisition. Model-Based Cross-Task Transfer (XTRA): a sample-efficient online RL framework with scalable pretraining and finetuning of learned world models using auxiliary data from offline tasks. Conversely, humans rely heavily on prior knowledge and visual cues when learning new skills - a study found that human players easily identify visual cues about game mechanics when exposed to a new game, and that human performance is severely degraded if such cues are removed or conflict with prior experiences (Dubey et al., 2018). This pretraining paradigm has recently been extended to visuo-motor control in various forms, e.g., by leveraging frozen (no finetuning) pretrained representations (Xiao et al., 2022; Parisi et al., 2022) or by finetuning in a supervised setting (Reed et al., 2022; Lee et al., 2022).

We study a constructive algorithm that approximates Gateaux derivatives for statistical functionals by finite differencing, with a focus on functionals that arise in causal inference. We study the case where probability distributions are not known a priori but need to be estimated from data. These estimated distributions lead to empirical Gateaux derivatives, and we study the relationships between empirical, numerical, and analytical Gateaux derivatives. Starting with a case study of the interventional mean (average potential outcome), we delineate the relationship between finite differences and the analytical Gateaux derivative. We then derive requirements on the rates of numerical approximation in perturbation and smoothing that preserve the statistical benefits of one-step adjustments, such as rate double robustness. We then study more complicated functionals such as dynamic treatment regimes, the linear-programming formulation for policy optimization in infinite-horizon Markov decision processes, and sensitivity analysis in causal inference. More broadly, we study optimization-based estimators, since this begets a class of estimands where identification via regression adjustment is straightforward but obtaining influence functions under minor variations thereof is not. The ability to approximate bias adjustments in the presence of arbitrary constraints illustrates the usefulness of constructive approaches for Gateaux derivatives. We also find that the statistical structure of the functional (rate double robustness) can permit less conservative rates for finite-difference approximation. This property, however, can be specific to particular functionals; e.g., it occurs for the average potential outcome (hence average treatment effect) but not the infinite-horizon MDP policy value.

With the introduction of machine learning in high-stakes decision making, ensuring algorithmic fairness has become an increasingly important problem to solve. In response to this, many mathematical definitions of fairness have been proposed, and a variety of optimisation techniques have been developed, all designed to maximise a defined notion of fairness. However, fair solutions are reliant on the quality of the training data, and can be highly sensitive to noise. Recent studies have shown that robustness (the ability for a model to perform well on unseen data) plays a significant role in the type of strategy that should be used when approaching a new problem and, hence, measuring the robustness of these strategies has become a fundamental problem. In this work, we therefore propose a new criterion to measure the robustness of various fairness optimisation strategies - the robustness ratio. We conduct multiple extensive experiments on five bench mark fairness data sets using three of the most popular fairness strategies with respect to four of the most popular definitions of fairness. Our experiments empirically show that fairness methods that rely on threshold optimisation are very sensitive to noise in all the evaluated data sets, despite mostly outperforming other methods. This is in contrast to the other two methods, which are less fair for low noise scenarios but fairer for high noise ones. To the best of our knowledge, we are the first to quantitatively evaluate the robustness of fairness optimisation strategies. This can potentially can serve as a guideline in choosing the most suitable fairness strategy for various data sets.

Likelihood is a standard estimate for outlier detection. The specific role of the normalization constraint is to ensure that the out-of-distribution (OOD) regime has a small likelihood when samples are learned using maximum likelihood. Because autoencoders do not possess such a process of normalization, they often fail to recognize outliers even when they are obviously OOD. We propose the Normalized Autoencoder (NAE), a normalized probabilistic model constructed from an autoencoder. The probability density of NAE is defined using the reconstruction error of an autoencoder, which is differently defined in the conventional energy-based model. In our model, normalization is enforced by suppressing the reconstruction of negative samples, significantly improving the outlier detection performance. Our experimental results confirm the efficacy of NAE, both in detecting outliers and in generating in-distribution samples.

Symbolic Regression (SR) allows for the discovery of scientific equations from data. To limit the large search space of possible equations, prior knowledge has been expressed in terms of formal grammars that characterize subsets of arbitrary strings. However, there is a mismatch between context-free grammars required to express the set of syntactically correct equations, missing closure properties of the former, and a tree structure of the latter. Our contributions are to (i) compactly express experts' prior beliefs about which equations are more likely to be expected by probabilistic Regular Tree Expressions (pRTE), and (ii) adapt Bayesian inference to make such priors efficiently available for symbolic regression encoded as finite state machines. Our scientific case studies show its effectiveness in soil science to find sorption isotherms and for modeling hyper-elastic materials.