Encoding only the task-related information from the raw data, \ie, disentangled representation learning, can greatly contribute to the robustness and generalizability of models. Although significant advances have been made by regularizing the information in representations with information theory, two major challenges remain: 1) the representation compression inevitably leads to performance drop; 2) the disentanglement constraints on representations are in complicated optimization. To these issues, we introduce Bayesian networks with transmitted information to formulate the interaction among input and representations during disentanglement. Building upon this framework, we propose \textbf{DisTIB} (\textbf{T}ransmitted \textbf{I}nformation \textbf{B}ottleneck for \textbf{Dis}entangled representation learning), a novel objective that navigates the balance between information compression and preservation. We employ variational inference to derive a tractable estimation for DisTIB. This estimation can be simply optimized via standard gradient descent with a reparameterization trick. Moreover, we theoretically prove that DisTIB can achieve optimal disentanglement, underscoring its superior efficacy. To solidify our claims, we conduct extensive experiments on various downstream tasks to demonstrate the appealing efficacy of DisTIB and validate our theoretical analyses.

State-of-the-art techniques for enhancing robustness of deep networks mostly rely on empirical risk minimization with suitable data augmentation. In this paper, we propose a complementary approach motivated by communication theory, aimed at enhancing the signal-to-noise ratio at the output of a neural network layer via neural competition during learning and inference. In addition to minimization of a standard end-to-end cost, neurons compete to sparsely represent layer inputs by maximization of a tilted exponential (TEXP) objective function for the layer. TEXP learning can be interpreted as maximum likelihood estimation of matched filters under a Gaussian model for data noise. Inference in a TEXP layer is accomplished by replacing batch norm by a tilted softmax, which can be interpreted as computation of posterior probabilities for the competing signaling hypotheses represented by each neuron. After providing insights via simplified models, we show, by experimentation on standard image datasets, that TEXP learning and inference enhances robustness against noise and other common corruptions, without requiring data augmentation. Further cumulative gains in robustness against this array of distortions can be obtained by appropriately combining TEXP with data augmentation techniques.

Humans have a powerful and mysterious capacity to reason. Working through a set of mental steps enables us to make inferences we would not be capable of making directly even though we get no additional data from the world. Similarly, when large language models generate intermediate steps (a chain of thought) before answering a question, they often produce better answers than they would directly. We investigate why and how chain-of-thought reasoning is useful in language models, testing the hypothesis that reasoning is effective when training data consists of overlapping local clusters of variables that influence each other strongly. These training conditions enable the chaining of accurate local inferences to estimate relationships between variables that were not seen together in training. We prove that there will exist a "reasoning gap", where reasoning through intermediate variables reduces bias, for the simple case of an autoregressive density estimator trained on local samples from a chain-structured probabilistic model. We then test our hypothesis experimentally in more complex models, training an autoregressive language model on samples from Bayes nets but only including a subset of variables in each sample. We test language models' ability to match conditional probabilities with and without intermediate reasoning steps, finding that intermediate steps are only helpful when the training data is locally structured with respect to dependencies between variables. The combination of locally structured observations and reasoning is much more data-efficient than training on all variables. Our results illustrate how the effectiveness of reasoning step by step is rooted in the local statistical structure of the training data.

Survival analysis is a widely-used technique for analyzing time-to-event data in the presence of censoring. In recent years, numerous survival analysis methods have emerged which scale to large datasets and relax traditional assumptions such as proportional hazards. These models, while being performant, are very sensitive to model hyperparameters including: (1) number of bins and bin size for discrete models and (2) number of cluster assignments for mixture-based models. Each of these choices requires extensive tuning by practitioners to achieve optimal performance. In addition, we demonstrate in empirical studies that: (1) optimal bin size may drastically differ based on the metric of interest (e.g., concordance vs brier score), and (2) mixture models may suffer from mode collapse and numerical instability. We propose a survival analysis approach which eliminates the need to tune hyperparameters such as mixture assignments and bin sizes, reducing the burden on practitioners. We show that the proposed approach matches or outperforms baselines on several real-world datasets.

To improve the predictability of complex computational models in the experimentally-unknown domains, we propose a Bayesian statistical machine learning framework utilizing the Dirichlet distribution that combines results of several imperfect models. This framework can be viewed as an extension of Bayesian stacking. To illustrate the method, we study the ability of Bayesian model averaging and mixing techniques to mine nuclear masses. We show that the global and local mixtures of models reach excellent performance on both prediction accuracy and uncertainty quantification and are preferable to classical Bayesian model averaging. Additionally, our statistical analysis indicates that improving model predictions through mixing rather than mixing of corrected models leads to more robust extrapolations.

Consider learning a generative model for time-series data. The sequential setting poses a unique challenge: Not only should the generator capture the conditional dynamics of (stepwise) transitions, but its open-loop rollouts should also preserve the joint distribution of (multi-step) trajectories. On one hand, autoregressive models trained by MLE allow learning and computing explicit transition distributions, but suffer from compounding error during rollouts. On the other hand, adversarial models based on GAN training alleviate such exposure bias, but transitions are implicit and hard to assess. In this work, we study a generative framework that seeks to combine the strengths of both: Motivated by a moment-matching objective to mitigate compounding error, we optimize a local (but forward-looking) transition policy, where the reinforcement signal is provided by a global (but stepwise-decomposable) energy model trained by contrastive estimation. At training, the two components are learned cooperatively, avoiding the instabilities typical of adversarial objectives. At inference, the learned policy serves as the generator for iterative sampling, and the learned energy serves as a trajectory-level measure for evaluating sample quality. By expressly training a policy to imitate sequential behavior of time-series features in a dataset, this approach embodies "generation by imitation". Theoretically, we illustrate the correctness of this formulation and the consistency of the algorithm. Empirically, we evaluate its ability to generate predictively useful samples from real-world datasets, verifying that it performs at the standard of existing benchmarks.

We present a novel method for tuning the regularization hyper-parameter, $\lambda$, of a ridge regression that is faster to compute than leave-one-out cross-validation (LOOCV) while yielding estimates of the regression parameters of equal, or particularly in the setting of sparse covariates, superior quality to those obtained by minimising the LOOCV risk. The LOOCV risk can suffer from multiple and bad local minima for finite $n$ and thus requires the specification of a set of candidate $\lambda$, which can fail to provide good solutions. In contrast, we show that the proposed method is guaranteed to find a unique optimal solution for large enough $n$, under relatively mild conditions, without requiring the specification of any difficult to determine hyper-parameters. This is based on a Bayesian formulation of ridge regression that we prove to have a unimodal posterior for large enough $n$, allowing for both the optimal $\lambda$ and the regression coefficients to be jointly learned within an iterative expectation maximization (EM) procedure. Importantly, we show that by utilizing an appropriate preprocessing step, a single iteration of the main EM loop can be implemented in $O(\min(n, p))$ operations, for input data with $n$ rows and $p$ columns. In contrast, evaluating a single value of $\lambda$ using fast LOOCV costs $O(n \min(n, p))$ operations when using the same preprocessing. This advantage amounts to an asymptotic improvement of a factor of $l$ for $l$ candidate values for $\lambda$ (in the regime $q, p \in O(\sqrt{n})$ where $q$ is the number of regression targets).

Simulation-based inference (SBI) enables amortized Bayesian inference for simulators with implicit likelihoods. But when we are primarily interested in the quality of predictive simulations, or when the model cannot exactly reproduce the observed data (i.e., is misspecified), targeting the Bayesian posterior may be overly restrictive. Generalized Bayesian Inference (GBI) aims to robustify inference for (misspecified) simulator models, replacing the likelihood-function with a cost function that evaluates the goodness of parameters relative to data. However, GBI methods generally require running multiple simulations to estimate the cost function at each parameter value during inference, making the approach computationally infeasible for even moderately complex simulators. Here, we propose amortized cost estimation (ACE) for GBI to address this challenge: We train a neural network to approximate the cost function, which we define as the expected distance between simulations produced by a parameter and observed data. The trained network can then be used with MCMC to infer GBI posteriors for any observation without running additional simulations. We show that, on several benchmark tasks, ACE accurately predicts cost and provides predictive simulations that are closer to synthetic observations than other SBI methods, especially for misspecified simulators. Finally, we apply ACE to infer parameters of the Hodgkin-Huxley model given real intracellular recordings from the Allen Cell Types Database. ACE identifies better data-matching parameters while being an order of magnitude more simulation-efficient than a standard SBI method. In summary, ACE combines the strengths of SBI methods and GBI to perform robust and simulation-amortized inference for scientific simulators.

Partial differential equations (PDEs) are important tools to model physical systems and including them into machine learning models is an important way of incorporating physical knowledge. Given any system of linear PDEs with constant coefficients, we propose a family of Gaussian process (GP) priors, which we call EPGP, such that all realizations are exact solutions of this system. We apply the Ehrenpreis-Palamodov fundamental principle, which works as a non-linear Fourier transform, to construct GP kernels mirroring standard spectral methods for GPs. Our approach can infer probable solutions of linear PDE systems from any data such as noisy measurements, or pointwise defined initial and boundary conditions. Constructing EPGP-priors is algorithmic, generally applicable, and comes with a sparse version (S-EPGP) that learns the relevant spectral frequencies and works better for big data sets. We demonstrate our approach on three families of systems of PDEs, the heat equation, wave equation, and Maxwell's equations, where we improve upon the state of the art in computation time and precision, in some experiments by several orders of magnitude.

The ability to accurately predict others' behavior is central to the safety and efficiency of interactive robotics. Unfortunately, robots often lack access to key information on which these predictions may hinge, such as other agents' goals, attention, and willingness to cooperate. Dual control theory addresses this challenge by treating unknown parameters of a predictive model as stochastic hidden states and inferring their values at runtime using information gathered during system operation. While able to optimally and automatically trade off exploration and exploitation, dual control is computationally intractable for general interactive motion planning. In this paper, we present a novel algorithmic approach to enable active uncertainty reduction for interactive motion planning based on the implicit dual control paradigm. Our approach relies on sampling-based approximation of stochastic dynamic programming, leading to a model predictive control problem that can be readily solved by real-time gradient-based optimization methods. The resulting policy is shown to preserve the dual control effect for a broad class of predictive models with both continuous and categorical uncertainty. To ensure the safe operation of the interacting agents, we use a runtime safety filter (also referred to as a "shielding" scheme), which overrides the robot's dual control policy with a safety fallback strategy when a safety-critical event is imminent. We then augment the dual control framework with an improved variant of the recently proposed shielding-aware robust planning scheme, which proactively balances the nominal planning performance with the risk of high-cost emergency maneuvers triggered by low-probability agent behaviors. We demonstrate the efficacy of our approach with both simulated driving studies and hardware experiments using 1/10 scale autonomous vehicles.