Bayesian Inference
Speeding Up Latent Variable Gaussian Graphical Model Estimation via Nonconvex Optimization
We study the estimation of the latent variable Gaussian graphical model (LVGGM), where the precision matrix is the superposition of a sparse matrix and a low-rank matrix. In order to speed up the estimation of the sparse plus low-rank components, we propose a sparsity constrained maximum likelihood estimator based on matrix factorization, and an efficient alternating gradient descent algorithm with hard thresholding to solve it. Our algorithm is orders of magnitude faster than the convex relaxation based methods for LVGGM. In addition, we prove that our algorithm is guaranteed to linearly converge to the unknown sparse and low-rank components up to the optimal statistical precision. Experiments on both synthetic and genomic data demonstrate the superiority of our algorithm over the state-ofthe-art algorithms and corroborate our theory.
Flexible statistical inference for mechanistic models of neural dynamics
Jan-Matthis Lueckmann, Pedro J. Goncalves, Giacomo Bassetto, Kaan รcal, Marcel Nonnenmacher, Jakob H. Macke
Mechanistic models of single-neuron dynamics have been extensively studied in computational neuroscience. However, identifying which models can quantitatively reproduce empirically measured data has been challenging. We propose to overcome this limitation by using likelihood-free inference approaches (also known as Approximate Bayesian Computation, ABC) to perform full Bayesian inference on single-neuron models. Our approach builds on recent advances in ABC by learning a neural network which maps features of the observed data to the posterior distribution over parameters. We learn a Bayesian mixture-density network approximating the posterior over multiple rounds of adaptively chosen simulations. Furthermore, we propose an efficient approach for handling missing features and parameter settings for which the simulator fails, as well as a strategy for automatically learning relevant features using recurrent neural networks. On synthetic data, our approach efficiently estimates posterior distributions and recovers ground-truth parameters. On in-vitro recordings of membrane voltages, we recover multivariate posteriors over biophysical parameters, which yield model-predicted voltage traces that accurately match empirical data. Our approach will enable neuroscientists to perform Bayesian inference on complex neuron models without having to design model-specific algorithms, closing the gap between mechanistic and statistical approaches to single-neuron modelling.
Predicting User Activity Level In Point Processes With Mass Transport Equation
Yichen Wang, Xiaojing Ye, Hongyuan Zha, Le Song
Point processes are powerful tools to model user activities and have a plethora of applications in social sciences. Predicting user activities based on point processes is a central problem. However, existing works are mostly problem specific, use heuristics, or simplify the stochastic nature of point processes. In this paper, we propose a framework that provides an efficient estimator of the probability mass function of point processes. In particular, we design a key reformulation of the prediction problem, and further derive a differential-difference equation to compute a conditional probability mass function. Our framework is applicable to general point processes and prediction tasks, and achieves superb predictive and efficiency performance in diverse real-world applications compared to the state of the art.
Simple and Scalable Predictive Uncertainty Estimation using Deep Ensembles
Balaji Lakshminarayanan, Alexander Pritzel, Charles Blundell
Deep neural networks (NNs) are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in NNs is a challenging and yet unsolved problem. Bayesian NNs, which learn a distribution over weights, are currently the state-of-the-art for estimating predictive uncertainty; however these require significant modifications to the training procedure and are computationally expensive compared to standard (non-Bayesian) NNs. We propose an alternative to Bayesian NNs that is simple to implement, readily parallelizable, requires very little hyperparameter tuning, and yields high quality predictive uncertainty estimates. Through a series of experiments on classification and regression benchmarks, we demonstrate that our method produces well-calibrated uncertainty estimates which are as good or better than approximate Bayesian NNs. To assess robustness to dataset shift, we evaluate the predictive uncertainty on test examples from known and unknown distributions, and show that our method is able to express higher uncertainty on out-of-distribution examples. We demonstrate the scalability of our method by evaluating predictive uncertainty estimates on ImageNet.
On Uncertainty In Natural Language Processing
The last decade in deep learning has brought on increasingly capable systems that are deployed on a wide variety of applications. In natural language processing, the field has been transformed by a number of breakthroughs including large language models, which are used in increasingly many user-facing applications. In order to reap the benefits of this technology and reduce potential harms, it is important to quantify the reliability of model predictions and the uncertainties that shroud their development. This thesis studies how uncertainty in natural language processing can be characterized from a linguistic, statistical and neural perspective, and how it can be reduced and quantified through the design of the experimental pipeline. We further explore uncertainty quantification in modeling by theoretically and empirically investigating the effect of inductive model biases in text classification tasks. The corresponding experiments include data for three different languages (Danish, English and Finnish) and tasks as well as a large set of different uncertainty quantification approaches. Additionally, we propose a method for calibrated sampling in natural language generation based on non-exchangeable conformal prediction, which provides tighter token sets with better coverage of the actual continuation. Lastly, we develop an approach to quantify confidence in large black-box language models using auxiliary predictors, where the confidence is predicted from the input to and generated output text of the target model alone.
Variational Bayes Gaussian Splatting
Van de Maele, Toon, Catal, Ozan, Tschantz, Alexander, Buckley, Christopher L., Verbelen, Tim
Recently, 3D Gaussian Splatting has emerged as a promising approach for modeling 3D scenes using mixtures of Gaussians. The predominant optimization method for these models relies on backpropagating gradients through a differentiable rendering pipeline, which struggles with catastrophic forgetting when dealing with continuous streams of data. To address this limitation, we propose Variational Bayes Gaussian Splatting (VBGS), a novel approach that frames training a Gaussian splat as variational inference over model parameters. By leveraging the conjugacy properties of multivariate Gaussians, we derive a closed-form variational update rule, allowing efficient updates from partial, sequential observations without the need for replay buffers. Our experiments show that VBGS not only matches state-of-the-art performance on static datasets, but also enables continual learning from sequentially streamed 2D and 3D data, drastically improving performance in this setting.
Verbalized Graph Representation Learning: A Fully Interpretable Graph Model Based on Large Language Models Throughout the Entire Process
Ji, Xingyu, Liu, Jiale, Li, Lu, Wang, Maojun, Zhang, Zeyu
Representation learning on text-attributed graphs (TAGs) has attracted significant interest due to its wide-ranging real-world applications, particularly through Graph Neural Networks (GNNs). Traditional GNN methods focus on encoding the structural information of graphs, often using shallow text embeddings for node or edge attributes. This limits the model to understand the rich semantic information in the data and its reasoning ability for complex downstream tasks, while also lacking interpretability. With the rise of large language models (LLMs), an increasing number of studies are combining them with GNNs for graph representation learning and downstream tasks. While these approaches effectively leverage the rich semantic information in TAGs datasets, their main drawback is that they are only partially interpretable, which limits their application in critical fields. In this paper, we propose a verbalized graph representation learning (VGRL) method which is fully interpretable. In contrast to traditional graph machine learning models, which are usually optimized within a continuous parameter space, VGRL constrains this parameter space to be text description which ensures complete interpretability throughout the entire process, making it easier for users to understand and trust the decisions of the model. We conduct several studies to empirically evaluate the effectiveness of VGRL and we believe these method can serve as a stepping stone in graph representation learning.
Epistemic Monte Carlo Tree Search
Oren, Yaniv, Vadocz, Villiam, Spaan, Matthijs T. J., Bรถhmer, Wendelin
The AlphaZero/MuZero (A/MZ) family of algorithms has achieved remarkable success across various challenging domains by integrating Monte Carlo Tree Search (MCTS) with learned models. Learned models introduce epistemic uncertainty, which is caused by learning from limited data and is useful for exploration in sparse reward environments. MCTS does not account for the propagation of this uncertainty however. To address this, we introduce Epistemic MCTS (EMCTS): a theoretically motivated approach to account for the epistemic uncertainty in search and harness the search for deep exploration. In the challenging sparse-reward task of writing code in the Assembly language subleq, AZ paired with our method achieves significantly higher sample efficiency over baseline AZ. Search with EMCTS solves variations of the commonly used hard-exploration benchmark Deep Sea - which baseline A/MZ are practically unable to solve - much faster than an otherwise equivalent method that does not use search for uncertainty estimation, demonstrating significant benefits from search for epistemic uncertainty estimation.
Online Posterior Sampling with a Diffusion Prior
Kveton, Branislav, Oreshkin, Boris, Park, Youngsuk, Deshmukh, Aniket, Song, Rui
Posterior sampling in contextual bandits with a Gaussian prior can be implemented exactly or approximately using the Laplace approximation. The Gaussian prior is computationally efficient but it cannot describe complex distributions. In this work, we propose approximate posterior sampling algorithms for contextual bandits with a diffusion model prior. The key idea is to sample from a chain of approximate conditional posteriors, one for each stage of the reverse process, which are estimated in a closed form using the Laplace approximation. Our approximations are motivated by posterior sampling with a Gaussian prior, and inherit its simplicity and efficiency. They are asymptotically consistent and perform well empirically on a variety of contextual bandit problems.