Bayesian Inference
Block Sparse Bayesian Learning: A Diversified Scheme
This paper introduces a novel prior called Diversified Block Sparse Prior to characterize the widespread block sparsity phenomenon in real-world data. By allowing diversification on intra-block variance and inter-block correlation matrices, we effectively address the sensitivity issue of existing block sparse learning methods to pre-defined block information, which enables adaptive block estimation while mitigating the risk of overfitting. Based on this, a diversified block sparse Bayesian learning method (DivSBL) is proposed, utilizing EM algorithm and dual ascent method for hyperparameter estimation. Moreover, we establish the global and local optimality theory of our model.
Latent Plan Transformer for Trajectory Abstraction: Planning as Latent Space Inference
In tasks aiming for long-term returns, planning becomes essential. We study generative modeling for planning with datasets repurposed from offline reinforcement learning. Specifically, we identify temporal consistency in the absence of step-wise rewards as one key technical challenge. We introduce the Latent Plan Transformer (LPT), a novel model that leverages a latent variable to connect a Transformer- based trajectory generator and the final return. LPT can be learned with maximum likelihood estimation on trajectory-return pairs.
DynGFN: Towards Bayesian Inference of Gene Regulatory Networks with GFlowNets
One of the grand challenges of cell biology is inferring the gene regulatory network (GRN) which describes interactions between genes and their products that control gene expression and cellular function. We can treat this as a causal discovery problem but with two non-standard challenges: (1) regulatory networks are inherently cyclic so we should not model a GRN as a directed acyclic graph (DAG), and (2) observations have significant measurement noise so for typical sample sizes, there will always be a large equivalence class of graphs that are likely given the data, and we want methods that capture this uncertainty. Existing methods either focus on challenge (1), identifying cyclic structure from dynamics, or on challenge (2) learning complex Bayesian posteriors over directed acyclic graphs, but not both. In this paper we leverage the fact that it is possible to estimate the velocity'' of the expression of a gene with RNA velocity techniques to develop an approach that addresses both challenges. Because we have access to velocity information, we can treat the Bayesian structure learning problem as a problem of sparse identification of a dynamical system, capturing cyclic feedback loops through time.
A Bayesian Approach for Personalized Federated Learning in Heterogeneous Settings
Federated learning (FL), through its privacy-preserving collaborative learning approach, has significantly empowered decentralized devices. However, constraints in either data and/or computational resources among participating clients introduce several challenges in learning, including the inability to train large model architectures, heightened risks of overfitting, and more. In this work, we present a novel FL framework grounded in Bayesian learning to address these challenges. Our approach involves training personalized Bayesian models at each client tailored to the unique complexities of the clients' datasets and efficiently collaborating across these clients. By leveraging Bayesian neural networks and their uncertainty quantification capabilities, our local training procedure robustly learns from small datasets.
ProvNeRF: Modeling per Point Provenance in NeRFs as a Stochastic Field
Neural radiance fields (NeRFs) have gained popularity with multiple works showing promising results across various applications. However, to the best of our knowledge, existing works do not explicitly model the distribution of training camera poses, or consequently the triangulation quality, a key factor affecting reconstruction quality dating back to classical vision literature. We close this gap with ProvNeRF, an approach that models the provenance for each point -- i.e., the locations where it is likely visible -- of NeRFs as a stochastic field. We achieve this by extending implicit maximum likelihood estimation (IMLE) to functional space with an optimizable objective. We show that modeling per-point provenance during the NeRF optimization enriches the model with information on triangulation leading to improvements in novel view synthesis and uncertainty estimation under the challenging sparse, unconstrained view setting against competitive baselines.
X-CAL: Explicit Calibration for Survival Analysis
When a model's predicted number of events within any time interval is similar to the observed number, it is called well-calibrated. A survival model's calibration can be measured using, for instance, distributional calibration (D-CALIBRATION) [Haider et al., 2020] which computes the squared difference between the observed and predicted number of events within different time intervals. Classically, calibration is addressed in post-training analysis. We develop explicit calibration (X-CAL), which turns D-CALIBRATION into a differentiable objective that can be used in survival modeling alongside maximum likelihood estimation and other objectives. X-CAL allows us to directly optimize calibration and strike a desired trade-off between predictive power and calibration.
Inflationary Flows: Calibrated Bayesian Inference with Diffusion-Based Models
Beyond estimating parameters of interest from data, one of the key goals of statistical inference is to properly quantify uncertainty in these estimates. In Bayesian inference, this uncertainty is provided by the posterior distribution, the computation of which typically involves an intractable high-dimensional integral. Among available approximation methods, sampling-based approaches come with strong theoretical guarantees but scale poorly to large problems, while variational approaches scale well but offer few theoretical guarantees. In particular, variational methods are known to produce overconfident estimates of posterior uncertainty and are typically non-identifiable, with many latent variable configurations generating equivalent predictions. Here, we address these challenges by showing how diffusion-based models (DBMs), which have recently produced state-of-the-art performance in generative modeling tasks, can be repurposed for performing calibrated, identifiable Bayesian inference.
Imitating Language via Scalable Inverse Reinforcement Learning
The majority of language model training builds on imitation learning. It covers pretraining, supervised fine-tuning, and affects the starting conditions for reinforcement learning from human feedback (RLHF). The simplicity and scalability of maximum likelihood estimation (MLE) for next token prediction led to its role as predominant paradigm. However, the broader field of imitation learning can more effectively utilize the sequential structure underlying autoregressive generation. We focus on investigating the inverse reinforcement learning (IRL) perspective to imitation, extracting rewards and directly optimizing sequences instead of individual token likelihoods and evaluate its benefits for fine-tuning large language models.
Prior-itizing Privacy: A Bayesian Approach to Setting the Privacy Budget in Differential Privacy
When releasing outputs from confidential data, agencies need to balance the analytical usefulness of the released data with the obligation to protect data subjects' confidentiality. For releases satisfying differential privacy, this balance is reflected by the privacy budget, \varepsilon . We provide a framework for setting \varepsilon based on its relationship with Bayesian posterior probabilities of disclosure. The agency responsible for the data release decides how much posterior risk it is willing to accept at various levels of prior risk, which implies a unique \varepsilon . Agencies can evaluate different risk profiles to determine one that leads to an acceptable trade-off in risk and utility.
Molecule Design by Latent Prompt Transformer
This work explores the challenging problem of molecule design by framing it as a conditional generative modeling task, where target biological properties or desired chemical constraints serve as conditioning variables.We propose the Latent Prompt Transformer (LPT), a novel generative model comprising three components: (1) a latent vector with a learnable prior distribution modeled by a neural transformation of Gaussian white noise; (2) a molecule generation model based on a causal Transformer, which uses the latent vector as a prompt; and (3) a property prediction model that predicts a molecule's target properties and/or constraint values using the latent prompt. LPT can be learned by maximum likelihood estimation on molecule-property pairs. During property optimization, the latent prompt is inferred from target properties and constraints through posterior sampling and then used to guide the autoregressive molecule generation.After initial training on existing molecules and their properties, we adopt an online learning algorithm to progressively shift the model distribution towards regions that support desired target properties. Experiments demonstrate that LPT not only effectively discovers useful molecules across single-objective, multi-objective, and structure-constrained optimization tasks, but also exhibits strong sample efficiency.