Bayesian Inference
Assessing Uncertainty Estimation Methods for 3D Image Segmentation under Distribution Shifts
Javanbakhat, Masoumeh, Hasan, Md Tasnimul, Lippert, Cristoph
In recent years, machine learning has witnessed extensive adoption across various sectors, yet its application in medical image-based disease detection and diagnosis remains challenging due to distribution shifts in real-world data. In practical settings, deployed models encounter samples that differ significantly from the training dataset, especially in the health domain, leading to potential performance issues. This limitation hinders the expressiveness and reliability of deep learning models in health applications. Thus, it becomes crucial to identify methods capable of producing reliable uncertainty estimation in the context of distribution shifts in the health sector. In this paper, we explore the feasibility of using cutting-edge Bayesian and non-Bayesian methods to detect distributionally shifted samples, aiming to achieve reliable and trustworthy diagnostic predictions in segmentation task. Specifically, we compare three distinct uncertainty estimation methods, each designed to capture either unimodal or multimodal aspects in the posterior distribution. Our findings demonstrate that methods capable of addressing multimodal characteristics in the posterior distribution, offer more dependable uncertainty estimates. This research contributes to enhancing the utility of deep learning in healthcare, making diagnostic predictions more robust and trustworthy.
Denoising Diffusion Probabilistic Models in Six Simple Steps
Turner, Richard E., Diaconu, Cristiana-Diana, Markou, Stratis, Shysheya, Aliaksandra, Foong, Andrew Y. K., Mlodozeniec, Bruno
Denoising Diffusion Probabilistic Models (DDPMs) [Ho et al., 2020] are a very popular class of deep generative model that have been successfully applied to a diverse range of problems including image and video generation, protein and material synthesis, weather forecasting, and neural surrogates of partial differential equations. Despite their ubiquity it is hard to find an introduction to DDPMs which is simple, comprehensive, clean and clear. The compact explanations necessary in research papers are not able to elucidate all of the different design steps taken to formulate the DDPM and the rationale of the steps that are presented is often omitted to save space. Moreover, the expositions are typically presented from the variational lower bound perspective which is unnecessary and arguably harmful as it obfuscates why the method is working and suggests generalisations that do not perform well in practice. On the other hand, perspectives that take the continuous time-limit are beautiful and general, but they have a high barrier-to-entry as they require background knowledge of stochastic differential equations and probability flow. In this note, we distill down the formulation of the DDPM into six simple steps each of which comes with a clear rationale. We assume that the reader is familiar with fundamental topics in machine learning including basic probabilistic modelling, Gaussian distributions, maximum likelihood estimation, and deep learning.
High-Precision Geosteering via Reinforcement Learning and Particle Filters
Muhammad, Ressi Bonti, Srivastava, Apoorv, Alyaev, Sergey, Bratvold, Reidar Brumer, Tartakovsky, Daniel M.
Geosteering, a key component of drilling operations, traditionally involves manual interpretation of various data sources such as well-log data. This introduces subjective biases and inconsistent procedures. Academic attempts to solve geosteering decision optimization with greedy optimization and Approximate Dynamic Programming (ADP) showed promise but lacked adaptivity to realistic diverse scenarios. Reinforcement learning (RL) offers a solution to these challenges, facilitating optimal decision-making through reward-based iterative learning. State estimation methods, e.g., particle filter (PF), provide a complementary strategy for geosteering decision-making based on online information. We integrate an RL-based geosteering with PF to address realistic geosteering scenarios. Our framework deploys PF to process real-time well-log data to estimate the location of the well relative to the stratigraphic layers, which then informs the RL-based decision-making process. We compare our method's performance with that of using solely either RL or PF. Our findings indicate a synergy between RL and PF in yielding optimized geosteering decisions.
Predictive representations: building blocks of intelligence
Carvalho, Wilka, Tomov, Momchil S., de Cothi, William, Barry, Caswell, Gershman, Samuel J.
Adaptive behavior often requires predicting future events. The theory of reinforcement learning prescribes what kinds of predictive representations are useful and how to compute them. This paper integrates these theoretical ideas with work on cognition and neuroscience. We pay special attention to the successor representation (SR) and its generalizations, which have been widely applied both as engineering tools and models of brain function. This convergence suggests that particular kinds of predictive representations may function as versatile building blocks of intelligence.
The Quantified Boolean Bayesian Network: Theory and Experiments with a Logical Graphical Model
This paper introduces the Quantified Boolean Bayesian Network (QBBN), which provides a unified view of logical and probabilistic reasoning. The QBBN is meant to address a central problem with the Large Language Model (LLM), which has become extremely popular in Information Retrieval, which is that the LLM hallucinates. A Bayesian Network, by construction, cannot hallucinate, because it can only return answers that it can explain. We show how a Bayesian Network over an unbounded number of boolean variables can be configured to represent the logical reasoning underlying human language. We do this by creating a key-value version of the First-Order Calculus, for which we can prove consistency and completeness. We show that the model is trivially trained over fully observed data, but that inference is non-trivial. Exact inference in a Bayesian Network is intractable (i.e. $\Omega(2^N)$ for $N$ variables). For inference, we investigate the use of Loopy Belief Propagation (LBP), which is not guaranteed to converge, but which has been shown to often converge in practice. Our experiments show that LBP indeed does converge very reliably, and our analysis shows that a round of LBP takes time $O(N2^n)$, where $N$ bounds the number of variables considered, and $n$ bounds the number of incoming connections to any factor, and further improvements may be possible. Our network is specifically designed to alternate between AND and OR gates in a Boolean Algebra, which connects more closely to logical reasoning, allowing a completeness proof for an expanded version of our network, and also allows inference to follow specific but adequate pathways, that turn out to be fast.
Boosting-Based Sequential Meta-Tree Ensemble Construction for Improved Decision Trees
Maniwa, Ryota, Ichijo, Naoki, Nakahara, Yuta, Matsushima, Toshiyasu
A decision tree is one of the most popular approaches in machine learning fields. However, it suffers from the problem of overfitting caused by overly deepened trees. Then, a meta-tree is recently proposed. It solves the problem of overfitting caused by overly deepened trees. Moreover, the meta-tree guarantees statistical optimality based on Bayes decision theory. Therefore, the meta-tree is expected to perform better than the decision tree. In contrast to a single decision tree, it is known that ensembles of decision trees, which are typically constructed boosting algorithms, are more effective in improving predictive performance. Thus, it is expected that ensembles of meta-trees are more effective in improving predictive performance than a single meta-tree, and there are no previous studies that construct multiple meta-trees in boosting. Therefore, in this study, we propose a method to construct multiple meta-trees using a boosting approach. Through experiments with synthetic and benchmark datasets, we conduct a performance comparison between the proposed methods and the conventional methods using ensembles of decision trees. Furthermore, while ensembles of decision trees can cause overfitting as well as a single decision tree, experiments confirmed that ensembles of meta-trees can prevent overfitting due to the tree depth.
Individualized Multi-Treatment Response Curves Estimation using RBF-net with Shared Neurons
Estimation of heterogeneous treatment effects from observational data has become an important problem. It plays a crucial role in determining the individualized causal effects of a treatment, which then leads to a personalized assignment of optimal treatment (Wendling et al., 2018; Rekkas et al., 2020). Estimation of such heterogeneity however requires reasonable representations from each treatment subgroup. With the increasing availability of large-scale health outcome data such as electronic health records (EHR) data in recent years, it has become possible to develop individualized treatment strategies efficiently. This led to the development of several novel statistical methods, primarily tailored for binary treatment scenarios (Wendling et al., 2018; Cheng et al., 2020), with some accommodating multiple treatment settings (Brown et al., 2020; Chalkou et al., 2021). Most of these approaches are specifically designed for estimating population average treatment effects (ATEs) (Van Der Laan and Rubin, 2006; Chernozhukov et al., 2018; McCaffrey et al., 2013) and more recently, methods are being developed to estimate conditional average treatment effects (CATEs) (Taddy et al., 2016; Wager and Athey, 2018; Künzel et al., 2019; Nie and Wager, 2021). Here, we tackle a generic problem of heterogeneous treatment effect or CATE estimation in a multi-treatment setting, where the treatment responses may share some commonalities.
SMC Is All You Need: Parallel Strong Scaling
Liang, Xinzhu, Lohani, Sanjaya, Lukens, Joseph M., Kirby, Brian T., Searles, Thomas A., Law, Kody J. H.
In the general framework of Bayesian inference, the target distribution can only be evaluated up-to a constant of proportionality. Classical consistent Bayesian methods such as sequential Monte Carlo (SMC) and Markov chain Monte Carlo (MCMC) have unbounded time complexity requirements. We develop a fully parallel sequential Monte Carlo (pSMC) method which provably delivers parallel strong scaling, i.e. the time complexity (and per-node memory) remains bounded if the number of asynchronous processes is allowed to grow. More precisely, the pSMC has a theoretical convergence rate of MSE$ = O(1/NR)$, where $N$ denotes the number of communicating samples in each processor and $R$ denotes the number of processors. In particular, for suitably-large problem-dependent $N$, as $R \rightarrow \infty$ the method converges to infinitesimal accuracy MSE$=O(\varepsilon^2)$ with a fixed finite time-complexity Cost$=O(1)$ and with no efficiency leakage, i.e. computational complexity Cost$=O(\varepsilon^{-2})$. A number of Bayesian inference problems are taken into consideration to compare the pSMC and MCMC methods.
Improved Evidential Deep Learning via a Mixture of Dirichlet Distributions
Ryu, J. Jon, Shen, Maohao, Ghosh, Soumya, Bu, Yuheng, Sattigeri, Prasanna, Das, Subhro, Wornell, Gregory W.
This paper explores a modern predictive uncertainty estimation approach, called evidential deep learning (EDL), in which a single neural network model is trained to learn a meta distribution over the predictive distribution by minimizing a specific objective function. Despite their strong empirical performance, recent studies by Bengs et al. identify a fundamental pitfall of the existing methods: the learned epistemic uncertainty may not vanish even in the infinite-sample limit. We corroborate the observation by providing a unifying view of a class of widely used objectives from the literature. Our analysis reveals that the EDL methods essentially train a meta distribution by minimizing a certain divergence measure between the distribution and a sample-size-independent target distribution, resulting in spurious epistemic uncertainty. Grounded in theoretical principles, we propose learning a consistent target distribution by modeling it with a mixture of Dirichlet distributions and learning via variational inference. Afterward, a final meta distribution model distills the learned uncertainty from the target model. Experimental results across various uncertainty-based downstream tasks demonstrate the superiority of our proposed method, and illustrate the practical implications arising from the consistency and inconsistency of learned epistemic uncertainty.
Gaussian Mixture Models for Affordance Learning using Bayesian Networks
Osório, Pedro, Bernardino, Alexandre, Martinez-Cantin, Ruben, Santos-Victor, José
Affordances are fundamental descriptors of relationships between actions, objects and effects. They provide the means whereby a robot can predict effects, recognize actions, select objects and plan its behavior according to desired goals. This paper approaches the problem of an embodied agent exploring the world and learning these affordances autonomously from its sensory experiences. Models exist for learning the structure and the parameters of a Bayesian Network encoding this knowledge. Although Bayesian Networks are capable of dealing with uncertainty and redundancy, previous work considered complete observability of the discrete sensory data, which may lead to hard errors in the presence of noise. In this paper we consider a probabilistic representation of the sensors by Gaussian Mixture Models (GMMs) and explicitly taking into account the probability distribution contained in each discrete affordance concept, which can lead to a more correct learning.