A Bayesian coreset is a small, weighted subset of data that replaces the full dataset during Bayesian inference, with the goal of reducing computational cost. Although past work has shown empirically that there often exists a coreset with low inferential error, efficiently constructing such a coreset remains a challenge. Current methods tend to be slow, require a secondary inference step after coreset construction, and do not provide bounds on the data marginal evidence. In this work, we introduce a new method---sparse Hamiltonian flows---that addresses all three of these challenges. The method involves first subsampling the data uniformly, and then optimizing a Hamiltonian flow parametrized by coreset weights and including periodic momentum quasi-refreshment steps.

Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy desired constraints or exhibit desired properties is difficult. In practice, expensive heuristic search or reinforcement learning algorithms are often employed. In this paper, we investigate the use of conditional generative models which directly attack this inverse problem, by modeling the distribution of discrete structures given properties of interest. Unfortunately, the maximum likelihood training of such models often fails with the samples from the generative model inadequately respecting the input properties.

Bayesian Additive Regression Trees [BART, Chipman et al., 2010] have gained significant popularity due to their remarkable predictive performance and ability to quantify uncertainty. However, standard decision tree models rely on recursive data splits at each decision node, using deterministic decision rules based on a single univariate feature. This approach limits their ability to effectively capture complex decision boundaries, particularly in scenarios involving multiple features, such as spatial domains, or when transitions are either sharp or smoothly varying. In this paper, we introduce a novel probabilistic additive decision tree model that employs a soft split rule. This method enables highly flexible splits that leverage both univariate and multivariate features, while also respecting the geometric properties of the feature domain. Notably, the probabilistic split rule adapts dynamically across decision nodes, allowing the model to account for varying levels of smoothness in the regression function. We demonstrate the utility of the proposed model through comparisons with existing tree-based models on synthetic datasets and a New York City education dataset.

In large-scale systems, complex internal relationships are often present. Such interconnected systems can be effectively described by low rank stochastic processes. When identifying a predictive model of low rank processes from sampling data, the rank-deficient property of spectral densities is often obscured by the inevitable measurement noise in practice. However, existing low rank identification approaches often did not take noise into explicit consideration, leading to non-negligible inaccuracies even under weak noise. In this paper, we address the identification issue of low rank processes under measurement noise. We find that the noisy measurement model admits a sparse plus low rank structure in latent-variable graphical models. Specifically, we first decompose the problem into a maximum entropy covariance extension problem, and a low rank graphical estimation problem based on an autoregressive moving-average with exogenous input (ARMAX) model. To identify the ARMAX low rank graphical models, we propose an estimation approach based on maximum likelihood. The identifiability and consistency of this approach are proven under certain conditions. Simulation results confirm the reliable performance of the entire algorithm in both the parameter estimation and noisy data filtering.

This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities, practical applications in fields such as biology often require sample generation that maximizes specific metrics (e.g., stability, affinity in proteins, closeness to target structures). In these scenarios, diffusion models can be adapted not only to generate realistic samples but also to explicitly maximize desired measures at inference time without fine-tuning. This tutorial explores the foundational aspects of such inference-time algorithms. We review these methods from a unified perspective, demonstrating that current techniques -- such as Sequential Monte Carlo (SMC)-based guidance, value-based sampling, and classifier guidance -- aim to approximate soft optimal denoising processes (a.k.a. policies in RL) that combine pre-trained denoising processes with value functions serving as look-ahead functions that predict from intermediate states to terminal rewards. Within this framework, we present several novel algorithms not yet covered in the literature. Furthermore, we discuss (1) fine-tuning methods combined with inference-time techniques, (2) inference-time algorithms based on search algorithms such as Monte Carlo tree search, which have received limited attention in current research, and (3) connections between inference-time algorithms in language models and diffusion models. The code of this tutorial on protein design is available at https://github.com/masa-ue/AlignInversePro

A machine learning tasks from observations must encounter and process uncertainty and novelty, especially when it is expected to maintain performance when observing new information and to choose the best fitting hypothesis to the currently observed information. In this context, some key questions arise: what is information, how much information did the observations provide, how much information is required to identify the data-generating process, how many observations remain to get that information, and how does a predictor determine that it has observed novel information? This paper strengthens existing answers to these questions by formalizing the notion of "identifiable information" that arises from the language used to express the relationship between distinct states. Model identifiability and sample complexity are defined via computation of an indicator function over a set of hypotheses. Their properties and asymptotic statistics are described for data-generating processes ranging from deterministic processes to ergodic stationary stochastic processes. This connects the notion of identifying information in finite steps with asymptotic statistics and PAC-learning. The indicator function's computation naturally formalizes novel information and its identification from observations with respect to a hypothesis set. We also proved that computable PAC-Bayes learners' sample complexity distribution is determined by its moments in terms of the the prior probability distribution over a fixed finite hypothesis set.

Conflicting objectives present a considerable challenge in interleaving multi-task learning, necessitating the need for meticulous design and balance to ensure effective learning of a representative latent data space across all tasks without mutual negative impact. Our proposed model, Deep Disentangled Interleaving Variational Encoding (Deep-DIVE) learns disentangled features from the original input to form clusters in the embedding space and unifies these features via the cross-attention mechanism in the fusion stage. We theoretically prove that combining the objectives for reconstruction and forecasting fully captures the lower bound and mathematically derive a loss function for disentanglement using Naïve Bayes. Experiments on two public datasets show that DeepDIVE disentangles the original input and yields forecast accuracies better than the original VAE and comparable to existing state-of-the-art baselines. In multi-objective deep learning, gradients from different objectives can conflict, when the different loss terms induce competing gradient directions during training of the network. Balancing these gradients to ensure stable and effective learning is a significant challenge prompting the development of methods to mitigate this issue, such as Liu et al. (2021); Yu et al. (2020); Sener & Koltun (2018) which solve an additional optmization problem before each gradient update step, to manipulate conflicting gradients before the update.

Random fuzzy variables join the modeling of the impreciseness (due to their ``fuzzy part'') and randomness. Statistical samples of such objects are widely used, and their direct, numerically effective generation is therefore necessary. Usually, these samples consist of triangular or trapezoidal fuzzy numbers. In this paper, we describe theoretical results and simulation algorithms for another family of fuzzy numbers -- LR fuzzy numbers with interval-valued cores. Starting from a simulation perspective on the piecewise linear LR fuzzy numbers with the interval-valued cores, their limiting behavior is then considered. This leads us to the numerically efficient algorithm for simulating a sample consisting of such fuzzy values.

In a variety of problems originating in supervised, unsupervised, and reinforcement learning, the loss function is defined by an expectation over a collection of random variables, which might be part of a probabilistic model or the external world. Estimating the gradient of this loss function, using samples, lies at the core of gradient-based learning algorithms for these problems. We introduce the formalism of stochastic computation graphs--directed acyclic graphs that include both deterministic functions and conditional probability distributions and describe how to easily and automatically derive an unbiased estimator of the loss function's gradient. The resulting algorithm for computing the gradient estimator is a simple modification of the standard backpropagation algorithm. The generic scheme we propose unifies estimators derived in variety of prior work, along with variance-reduction techniques therein.

Learning-from-crowds aims to design proper aggregation strategies to infer the unknown true labels from the noisy labels provided by ordinary web workers. This paper presents max-margin majority voting (M 3V) to improve the discriminative ability of majority voting and further presents a Bayesian generalization to incorporate the flexibility of generative methods on modeling noisy observations with worker confusion matrices. We formulate the joint learning as a regularized Bayesian inference problem, where the posterior regularization is derived by maximizing the margin between the aggregated score of a potential true label and that of any alternative label. Our Bayesian model naturally covers the Dawid-Skene estimator and M 3V. Empirical results demonstrate that our methods are competitive, often achieving better results than state-of-the-art estimators.