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 Uncertainty


Symmetric Matrix Completion with ReLU Sampling

arXiv.org Machine Learning

We study the problem of symmetric positive semi-definite low-rank matrix completion (MC) with deterministic entry-dependent sampling. In particular, we consider rectified linear unit (ReLU) sampling, where only positive entries are observed, as well as a generalization to threshold-based sampling. We first empirically demonstrate that the landscape of this MC problem is not globally benign: Gradient descent (GD) with random initialization will generally converge to stationary points that are not globally optimal. Nevertheless, we prove that when the matrix factor with a small rank satisfies mild assumptions, the nonconvex objective function is geodesically strongly convex on the quotient manifold in a neighborhood of a planted low-rank matrix. Moreover, we show that our assumptions are satisfied by a matrix factor with i.i.d. Gaussian entries. Finally, we develop a tailor-designed initialization for GD to solve our studied formulation, which empirically always achieves convergence to the global minima. We also conduct extensive experiments and compare MC methods, investigating convergence and completion performance with respect to initialization, noise level, dimension, and rank.


Methodology and Real-World Applications of Dynamic Uncertain Causality Graph for Clinical Diagnosis with Explainability and Invariance

arXiv.org Artificial Intelligence

AI-aided clinical diagnosis is desired in medical care. Existing deep learning models lack explainability and mainly focus on image analysis. The recently developed Dynamic Uncertain Causality Graph (DUCG) approach is causality-driven, explainable, and invariant across different application scenarios, without problems of data collection, labeling, fitting, privacy, bias, generalization, high cost and high energy consumption. Through close collaboration between clinical experts and DUCG technicians, 46 DUCG models covering 54 chief complaints were constructed. Over 1,000 diseases can be diagnosed without triage. Before being applied in real-world, the 46 DUCG models were retrospectively verified by third-party hospitals. The verified diagnostic precisions were no less than 95%, in which the diagnostic precision for every disease including uncommon ones was no less than 80%. After verifications, the 46 DUCG models were applied in the real-world in China. Over one million real diagnosis cases have been performed, with only 17 incorrect diagnoses identified. Due to DUCG's transparency, the mistakes causing the incorrect diagnoses were found and corrected. The diagnostic abilities of the clinicians who applied DUCG frequently were improved significantly. Following the introduction to the earlier presented DUCG methodology, the recommendation algorithm for potential medical checks is presented and the key idea of DUCG is extracted.


Probabilistic Approach to Black-Box Binary Optimization with Budget Constraints: Application to Sensor Placement

arXiv.org Artificial Intelligence

We present a fully probabilistic approach for solving binary optimization problems with black-box objective functions and with budget constraints. In the probabilistic approach, the optimization variable is viewed as a random variable and is associated with a parametric probability distribution. The original optimization problem is replaced with an optimization over the expected value of the original objective, which is then optimized over the probability distribution parameters. The resulting optimal parameter (optimal policy) is used to sample the binary space to produce estimates of the optimal solution(s) of the original binary optimization problem. The probability distribution is chosen from the family of Bernoulli models because the optimization variable is binary. The optimization constraints generally restrict the feasibility region. This can be achieved by modeling the random variable with a conditional distribution given satisfiability of the constraints. Thus, in this work we develop conditional Bernoulli distributions to model the random variable conditioned by the total number of nonzero entries, that is, the budget constraint. This approach (a) is generally applicable to binary optimization problems with nonstochastic black-box objective functions and budget constraints; (b) accounts for budget constraints by employing conditional probabilities that sample only the feasible region and thus considerably reduces the computational cost compared with employing soft constraints; and (c) does not employ soft constraints and thus does not require tuning of a regularization parameter, for example to promote sparsity, which is challenging in sensor placement optimization problems. The proposed approach is verified numerically by using an idealized bilinear binary optimization problem and is validated by using a sensor placement experiment in a parameter identification setup.


Liouville Flow Importance Sampler

arXiv.org Machine Learning

We present the Liouville Flow Importance Sampler (LFIS), an innovative flow-based model for generating samples from unnormalized density functions. LFIS learns a time-dependent velocity field that deterministically transports samples from a simple initial distribution to a complex target distribution, guided by a prescribed path of annealed distributions. The training of LFIS utilizes a unique method that enforces the structure of a derived partial differential equation to neural networks modeling velocity fields. By considering the neural velocity field as an importance sampler, sample weights can be computed through accumulating errors along the sample trajectories driven by neural velocity fields, ensuring unbiased and consistent estimation of statistical quantities. We demonstrate the effectiveness of LFIS through its application to a range of benchmark problems, on many of which LFIS achieved state-of-the-art performance.


Neural-g: A Deep Learning Framework for Mixing Density Estimation

arXiv.org Machine Learning

Mixing (or prior) density estimation is an important problem in machine learning and statistics, especially in empirical Bayes $g$-modeling where accurately estimating the prior is necessary for making good posterior inferences. In this paper, we propose neural-$g$, a new neural network-based estimator for $g$-modeling. Neural-$g$ uses a softmax output layer to ensure that the estimated prior is a valid probability density. Under default hyperparameters, we show that neural-$g$ is very flexible and capable of capturing many unknown densities, including those with flat regions, heavy tails, and/or discontinuities. In contrast, existing methods struggle to capture all of these prior shapes. We provide justification for neural-$g$ by establishing a new universal approximation theorem regarding the capability of neural networks to learn arbitrary probability mass functions. To accelerate convergence of our numerical implementation, we utilize a weighted average gradient descent approach to update the network parameters. Finally, we extend neural-$g$ to multivariate prior density estimation. We illustrate the efficacy of our approach through simulations and analyses of real datasets. A software package to implement neural-$g$ is publicly available at https://github.com/shijiew97/neuralG.


Bayesian vs. PAC-Bayesian Deep Neural Network Ensembles

arXiv.org Artificial Intelligence

Bayesian neural networks address epistemic uncertainty by learning a posterior distribution over model parameters. Sampling and weighting networks according to this posterior yields an ensemble model referred to as Bayes ensemble. Ensembles of neural networks (deep ensembles) can profit from the cancellation of errors effect: Errors by ensemble members may average out and the deep ensemble achieves better predictive performance than each individual network. We argue that neither the sampling nor the weighting in a Bayes ensemble are particularly well-suited for increasing generalization performance, as they do not support the cancellation of errors effect, which is evident in the limit from the Bernstein-von~Mises theorem for misspecified models. In contrast, a weighted average of models where the weights are optimized by minimizing a PAC-Bayesian generalization bound can improve generalization performance. This requires that the optimization takes correlations between models into account, which can be achieved by minimizing the tandem loss at the cost that hold-out data for estimating error correlations need to be available. The PAC-Bayesian weighting increases the robustness against correlated models and models with lower performance in an ensemble. This allows us to safely add several models from the same learning process to an ensemble, instead of using early-stopping for selecting a single weight configuration. Our study presents empirical results supporting these conceptual considerations on four different classification datasets. We show that state-of-the-art Bayes ensembles from the literature, despite being computationally demanding, do not improve over simple uniformly weighted deep ensembles and cannot match the performance of deep ensembles weighted by optimizing the tandem loss, which additionally come with non-vacuous generalization guarantees.


Verbalized Probabilistic Graphical Modeling with Large Language Models

arXiv.org Artificial Intelligence

Faced with complex problems, the human brain demonstrates a remarkable capacity to transcend sensory input and form latent understandings of perceived world patterns. However, this cognitive capacity is not explicitly considered or encoded in current large language models (LLMs). As a result, LLMs often struggle to capture latent structures and model uncertainty in complex compositional reasoning tasks. This work introduces a novel Bayesian prompting approach that facilitates training-free Bayesian inference with LLMs by using a verbalized Probabilistic Graphical Model (PGM). While traditional Bayesian approaches typically depend on extensive data and predetermined mathematical structures for learning latent factors and dependencies, our approach efficiently reasons latent variables and their probabilistic dependencies by prompting LLMs to adhere to Bayesian principles. We evaluated our model on several compositional reasoning tasks, both close-ended and open-ended. Our results indicate that the model effectively enhances confidence elicitation and text generation quality, demonstrating its potential to improve AI language understanding systems, especially in modeling uncertainty.


Improving Adversarial Energy-Based Model via Diffusion Process

arXiv.org Artificial Intelligence

MCMC-based EBMs (Du & Mordatch, 2019; Nijkamp et al., 2019) evaluate Generative models have shown strong generation the gradient of the objective through Markov chain ability while efficient likelihood estimation is less Monte Carlo (MCMC) sampling on the defined energy function, explored. Energy-based models (EBMs) define which can be computationally expensive for both training a flexible energy function to parameterize unnormalized and sampling. Adversarial EBMs (Grathwohl et al., densities efficiently but are notorious for 2021; Geng et al., 2021) introduce a generator to form a being difficult to train. Adversarial EBMs introduce minimax game between alternative optimization of this generator a generator to form a minimax training game and energy function, allowing for MCMC-free EBM to avoid expensive MCMC sampling used in traditional training and fast sampling. EBMs, but a noticeable gap between adversarial EBMs and other strong generative models Although adversarial EBMs have great potential in distribution still exists. Inspired by diffusion-based models, modeling, they still have some limitations that can we embedded EBMs into each denoising step to be mainly attributed to three reasons. First, as is pointed split a long-generated process into several smaller out in Mescheder et al. (2018) and Geng et al. (2021), minimax steps. Besides, we employ a symmetric Jeffrey divergence training can be unstable if two alternative optimization and introduce a variational posterior distribution steps are not well balanced. This instability poses a significant for the generator's training to address the challenge in fitting the marginal energy distribution main challenges that exist in adversarial EBMs.


Probabilistic and Causal Satisfiability: the Impact of Marginalization

arXiv.org Artificial Intelligence

The framework of Pearl's Causal Hierarchy (PCH) formalizes three types of reasoning: observational, interventional, and counterfactual, that reflect the progressive sophistication of human thought regarding causation. We investigate the computational complexity aspects of reasoning in this framework focusing mainly on satisfiability problems expressed in probabilistic and causal languages across the PCH. That is, given a system of formulas in the standard probabilistic and causal languages, does there exist a model satisfying the formulas? The resulting complexity changes depending on the level of the hierarchy as well as the operators allowed in the formulas (addition, multiplication, or marginalization). We focus on formulas involving marginalization that are widely used in probabilistic and causal inference, but whose complexity issues are still little explored. Our main contribution are the exact computational complexity results showing that linear languages (allowing addition and marginalization) yield NP^PP-, PSPACE-, and NEXP-complete satisfiability problems, depending on the level of the PCH. Moreover, we prove that the problem for the full language (allowing additionally multiplication) is complete for the class succ$\exists$R for languages on the highest, counterfactual level, which extends previous results for the lower levels of the PCH. Finally, we consider constrained models that are restricted to a given Bayesian network, a Directed Acyclic Graph structure, or a small polynomial size. The complexity of languages on the interventional level is increased to the complexity of counterfactual languages without such a constraint, that is, linear languages become NEXP-complete. On the other hand, the complexity on the counterfactual level does not change. The constraint on the size reduces the complexity of the interventional and counterfactual languages to NEXP-complete.


Causal Inference with Cocycles

arXiv.org Machine Learning

Many interventions in causal inference can be represented as transformations. We identify a local symmetry property satisfied by a large class of causal models under such interventions. Where present, this symmetry can be characterized by a type of map called a cocycle, an object that is central to dynamical systems theory. We show that such cocycles exist under general conditions and are sufficient to identify interventional and counterfactual distributions. We use these results to derive cocycle-based estimators for causal estimands and show they achieve semiparametric efficiency under typical conditions. Since (infinitely) many distributions can share the same cocycle, these estimators make causal inference robust to mis-specification by sidestepping superfluous modelling assumptions. We demonstrate both robustness and state-of-the-art performance in several simulations, and apply our method to estimate the effects of 401(k) pension plan eligibility on asset accumulation using a real dataset.