Most state-of-the-art machine learning techniques revolve around the optimisation of loss functions. Defining appropriate loss functions is therefore critical to successfully solving problems in this field. We present a survey of the most commonly used loss functions for a wide range of different applications, divided into classification, regression, ranking, sample generation and energy based modelling. Overall, we introduce 33 different loss functions and we organise them into an intuitive taxonomy. Each loss function is given a theoretical backing and we describe where it is best used. This survey aims to provide a reference of the most essential loss functions for both beginner and advanced machine learning practitioners.

Accurate estimation of output quantiles is crucial in many use cases, where it is desired to model the range of possibility. Modeling target distribution at arbitrary quantile levels and at arbitrary input attribute levels are important to offer a comprehensive picture of the data, and requires the quantile function to be expressive enough. The quantile function describing the target distribution using quantile levels is critical for quantile regression. Although various parametric forms for the distributions (that the quantile function specifies) can be adopted, an everlasting problem is selecting the most appropriate one that can properly approximate the data distributions. In this paper, we propose a non-parametric and data-driven approach, Neural Spline Search (NSS), to represent the observed data distribution without parametric assumptions. NSS is flexible and expressive for modeling data distributions by transforming the inputs with a series of monotonic spline regressions guided by symbolic operators. We demonstrate that NSS outperforms previous methods on synthetic, real-world regression and time-series forecasting tasks.

In this work, we study how to build socially intelligent robots to assist people in their homes. In particular, we focus on assistance with online goal inference, where robots must simultaneously infer humans' goals and how to help them achieve those goals. Prior assistance methods either lack the adaptivity to adjust helping strategies (i.e., when and how to help) in response to uncertainty about goals or the scalability to conduct fast inference in a large goal space. Our NOPA (Neurally-guided Online Probabilistic Assistance) method addresses both of these challenges. NOPA consists of (1) an online goal inference module combining neural goal proposals with inverse planning and particle filtering for robust inference under uncertainty, and (2) a helping planner that discovers valuable subgoals to help with and is aware of the uncertainty in goal inference. We compare NOPA against multiple baselines in a new embodied AI assistance challenge: Online Watch-And-Help, in which a helper agent needs to simultaneously watch a main agent's action, infer its goal, and help perform a common household task faster in realistic virtual home environments. Experiments show that our helper agent robustly updates its goal inference and adapts its helping plans to the changing level of uncertainty.

This work proposes a method for using any generator network as the foundation of an Energy-Based Model (EBM). Our formulation posits that observed images are the sum of unobserved latent variables passed through the generator network and a residual random variable that spans the gap between the generator output and the image manifold. One can then define an EBM that includes the generator as part of its forward pass, which we call the Hat EBM. The model can be trained without inferring the latent variables of the observed data or calculating the generator Jacobian determinant. This enables explicit probabilistic modeling of the output distribution of any type of generator network. Experiments show strong performance of the proposed method on (1) unconditional ImageNet synthesis at 128x128 resolution, (2) refining the output of existing generators, and (3) learning EBMs that incorporate non-probabilistic generators. Code and pretrained models to reproduce our results are available at https://github.com/point0bar1/hat-ebm.

A Bayesian coreset is a small, weighted subset of data that replaces the full dataset during Bayesian inference, with the goal of reducing computational cost. Although past work has shown empirically that there often exists a coreset with low inferential error, efficiently constructing such a coreset remains a challenge. Current methods tend to be slow, require a secondary inference step after coreset construction, and do not provide bounds on the data marginal evidence. In this work, we introduce a new method -- sparse Hamiltonian flows -- that addresses all three of these challenges. The method involves first subsampling the data uniformly, and then optimizing a Hamiltonian flow parametrized by coreset weights and including periodic momentum quasi-refreshment steps. Theoretical results show that the method enables an exponential compression of the dataset in a representative model, and that the quasi-refreshment steps reduce the KL divergence to the target. Real and synthetic experiments demonstrate that sparse Hamiltonian flows provide accurate posterior approximations with significantly reduced runtime compared with competing dynamical-system-based inference methods.

Bayesian methods, distributionally robust optimization methods, and regularization methods are three pillars of trustworthy machine learning hedging against distributional uncertainty, e.g., the uncertainty of an empirical distribution compared to the true underlying distribution. This paper investigates the connections among the three frameworks and, in particular, explores why these frameworks tend to have smaller generalization errors. Specifically, first, we suggest a quantitative definition for "distributional robustness", propose the concept of "robustness measure", and formalize several philosophical concepts in distributionally robust optimization. Second, we show that Bayesian methods are distributionally robust in the probably approximately correct (PAC) sense; In addition, by constructing a Dirichlet-process-like prior in Bayesian nonparametrics, it can be proven that any regularized empirical risk minimization method is equivalent to a Bayesian method. Third, we show that generalization errors of machine learning models can be characterized using the distributional uncertainty of the nominal distribution and the robustness measures of these machine learning models, which is a new perspective to bound generalization errors, and therefore, explain the reason why distributionally robust machine learning models, Bayesian models, and regularization models tend to have smaller generalization errors.

Variational inference has been widely used in machine learning literature to fit various Bayesian models. In network analysis, this method has been successfully applied to solve the community detection problems. Although these results are promising, their theoretical support is only for relatively dense networks, an assumption that may not hold for real networks. In addition, it has been shown recently that the variational loss surface has many saddle points, which may severely affect its performance, especially when applied to sparse networks. This paper proposes a simple way to improve the variational inference method by hard thresholding the posterior of the community assignment after each iteration. Using a random initialization that correlates with the true community assignment, we show that the proposed method converges and can accurately recover the true community labels, even when the average node degree of the network is bounded. Extensive numerical study further confirms the advantage of the proposed method over the classical variational inference and another state-of-the-art algorithm.

Likelihood-to-evidence ratio estimation is usually cast as either a binary (NRE-A) or a multiclass (NRE-B) classification task. In contrast to the binary classification framework, the current formulation of the multiclass version has an intrinsic and unknown bias term, making otherwise informative diagnostics unreliable. We propose a multiclass framework free from the bias inherent to NRE-B at optimum, leaving us in the position to run diagnostics that practitioners depend on. It also recovers NRE-A in one corner case and NRE-B in the limiting case. For fair comparison, we benchmark the behavior of all algorithms in both familiar and novel training regimes: when jointly drawn data is unlimited, when data is fixed but prior draws are unlimited, and in the commonplace fixed data and parameters setting. Our investigations reveal that the highest performing models are distant from the competitors (NRE-A, NRE-B) in hyperparameter space. We make a recommendation for hyperparameters distinct from the previous models. We suggest a bound on the mutual information as a performance metric for simulation-based inference methods, without the need for posterior samples, and provide experimental results.

Currently in the petroleum industry, operators often flare the produced gas instead of commodifying it. The flaring magnitudes are large in some states, which constitute problems with energy waste and CO2 emissions. In North Dakota, operators are required to estimate and report the volume flared. The questions are, how good is the quality of this reporting, and what insights can be drawn from it? Apart from the company-reported statistics, which are available from the North Dakota Industrial Commission (NDIC), flared volumes can be estimated via satellite remote sensing, serving as an unbiased benchmark. Since interpretation of the Landsat 8 imagery is hindered by artifacts due to glow, the estimated volumes based on the Visible Infrared Imaging Radiometer Suite (VIIRS) are used. Reverse geocoding is performed for comparing and contrasting the NDIC and VIIRS data at different levels, such as county and oilfield. With all the data gathered and preprocessed, Bayesian learning implemented by MCMC methods is performed to address three problems: county level model development, flaring time series analytics, and distribution estimation. First, there is heterogeneity among the different counties, in the associations between the NDIC and VIIRS volumes. In light of such, models are developed for each county by exploiting hierarchical models. Second, the flaring time series, albeit noisy, contains information regarding trends and patterns, which provide some insights into operator approaches. Gaussian processes are found to be effective in many different pattern recognition scenarios. Third, distributional insights are obtained through unsupervised learning. The negative binomial and GMMs are found to effectively describe the oilfield flare count and flared volume distributions, respectively. Finally, a nearest-neighbor-based approach for operator level monitoring and analytics is introduced.

Machine learning (ML) is about computational methods that enable machines to learn concepts from experience. In handling a wide variety of experience ranging from data instances, knowledge, constraints, to rewards, adversaries, and lifelong interaction in an ever-growing spectrum of tasks, contemporary ML/AI (artificial intelligence) research has resulted in a multitude of learning paradigms and methodologies. Despite the continual progresses on all different fronts, the disparate narrowly focused methods also make standardized, composable, and reusable development of ML approaches difficult, and preclude the opportunity to build AI agents that panoramically learn from all types of experience. This article presents a standardized ML formalism, in particular a `standard equation' of the learning objective, that offers a unifying understanding of many important ML algorithms in the supervised, unsupervised, knowledge-constrained, reinforcement, adversarial, and online learning paradigms, respectively -- those diverse algorithms are encompassed as special cases due to different choices of modeling components. The framework also provides guidance for mechanical design of new ML approaches and serves as a promising vehicle toward panoramic machine learning with all experience.