Whereas diverse variations of diffusion models exist, extending the linear diffusion into a nonlinear diffusion process is investigated by very few works. The nonlinearity effect has been hardly understood, but intuitively, there would be promising diffusion patterns to efficiently train the generative distribution towards the data distribution. This paper introduces a data-adaptive nonlinear diffusion process for score-based diffusion models. The proposed Implicit Nonlinear Diffusion Model (INDM) learns by combining a normalizing flow and a diffusion process. Specifically, INDM implicitly constructs a nonlinear diffusion on the \textit{data space} by leveraging a linear diffusion on the \textit{latent space} through a flow network. This flow network is key to forming a nonlinear diffusion, as the nonlinearity depends on the flow network. This flexible nonlinearity improves the learning curve of INDM to nearly Maximum Likelihood Estimation (MLE) against the non-MLE curve of DDPM++, which turns out to be an inflexible version of INDM with the flow fixed as an identity mapping. Also, the discretization of INDM shows the sampling robustness. In experiments, INDM achieves the state-of-the-art FID of 1.75 on CelebA. We release our code at https://github.com/byeonghu-na/INDM.

A good state representation is crucial to solving complicated reinforcement learning (RL) challenges. Many recent works focus on designing auxiliary losses for learning informative representations. Unfortunately, these handcrafted objectives rely heavily on expert knowledge and may be sub-optimal. In this paper, we propose a principled and universal method for learning better representations with auxiliary loss functions, named Automated Auxiliary Loss Search (A2LS), which automatically searches for top-performing auxiliary loss functions for RL. Specifically, based on the collected trajectory data, we define a general auxiliary loss space of size $7.5 \times 10^{20}$ and explore the space with an efficient evolutionary search strategy. Empirical results show that the discovered auxiliary loss (namely, A2-winner) significantly improves the performance on both high-dimensional (image) and low-dimensional (vector) unseen tasks with much higher efficiency, showing promising generalization ability to different settings and even different benchmark domains. We conduct a statistical analysis to reveal the relations between patterns of auxiliary losses and RL performance.

Ordinary Differential Equations (ODEs) have recently gained a lot of attention in machine learning. However, the theoretical aspects, e.g., identifiability and asymptotic properties of statistical estimation are still obscure. This paper derives a sufficient condition for the identifiability of homogeneous linear ODE systems from a sequence of equally-spaced error-free observations sampled from a single trajectory. When observations are disturbed by measurement noise, we prove that under mild conditions, the parameter estimator based on the Nonlinear Least Squares (NLS) method is consistent and asymptotic normal with $n^{-1/2}$ convergence rate. Based on the asymptotic normality property, we construct confidence sets for the unknown system parameters and propose a new method to infer the causal structure of the ODE system, i.e., inferring whether there is a causal link between system variables. Furthermore, we extend the results to degraded observations, including aggregated and time-scaled ones. To the best of our knowledge, our work is the first systematic study of the identifiability and asymptotic properties in learning linear ODE systems. We also construct simulations with various system dimensions to illustrate the established theoretical results.

In offline model-based reinforcement learning (offline MBRL), we learn a dynamic model from historically collected data, and subsequently utilize the learned model and fixed datasets for policy learning, without further interacting with the environment. Offline MBRL algorithms can improve the efficiency and stability of policy learning over the model-free algorithms. However, in most of the existing offline MBRL algorithms, the learning objectives for the dynamic models and the policies are isolated from each other. Such an objective mismatch may lead to inferior performance of the learned agents. In this paper, we address this issue by developing an iterative offline MBRL framework, where we maximize a lower bound of the true expected return, by alternating between dynamic-model training and policy learning. With the proposed unified model-policy learning framework, we achieve competitive performance on a wide range of continuous-control offline reinforcement learning datasets. Source code is publicly released.

Probabilistic Graphical Models (PGMs) are generative models of complex systems. They rely on conditional independence assumptions between variables to learn sparse representations which can be visualized in a form of a graph. Such models are used for domain exploration and structure discovery in poorly understood domains. This work introduces a novel technique to perform sparse graph recovery by optimizing deep unrolled networks. Assuming that the input data $X\in\mathbb{R}^{M\times D}$ comes from an underlying multivariate Gaussian distribution, we apply a deep model on $X$ that outputs the precision matrix $\hat{\Theta}$, which can also be interpreted as the adjacency matrix. Our model, uGLAD, builds upon and extends the state-of-the-art model GLAD to the unsupervised setting. The key benefits of our model are (1) uGLAD automatically optimizes sparsity-related regularization parameters leading to better performance than existing algorithms. (2) We introduce multi-task learning based `consensus' strategy for robust handling of missing data in an unsupervised setting. We evaluate model results on synthetic Gaussian data, non-Gaussian data generated from Gene Regulatory Networks, and present a case study in anaerobic digestion.

The Kalman filter (KF) is a widely-used algorithm for tracking the latent state of a dynamical system from noisy observations. For systems that are well-described by linear Gaussian state space models, the KF minimizes the mean-squared error (MSE). However, in practice, observations are corrupted by outliers, severely impairing the KFs performance. In this work, an outlier-insensitive KF is proposed, where robustness is achieved by modeling each potential outlier as a normally distributed random variable with unknown variance (NUV). The NUVs variances are estimated online, using both expectation-maximization (EM) and alternating maximization (AM). The former was previously proposed for the task of smoothing with outliers and was adapted here to filtering, while both EM and AM obtained the same performance and outperformed the other algorithms, the AM approach is less complex and thus requires 40 percentage less run-time. Our empirical study demonstrates that the MSE of our proposed outlier-insensitive KF outperforms previously proposed algorithms, and that for data clean of outliers, it reverts to the classic KF, i.e., MSE optimality is preserved

Retraining deep neural networks when new data arrives is typically computationally expensive. Moreover, certain applications do not allow such costly retraining due to time or computational constraints. Fast Bayesian updates are a possible solution to this issue. Therefore, we propose a Bayesian update based on Monte-Carlo samples and a last-layer Laplace approximation for different Bayesian neural network types, i.e., Dropout, Ensemble, and Spectral Normalized Neural Gaussian Process (SNGP). In a large-scale evaluation study, we show that our updates combined with SNGP represent a fast and competitive alternative to costly retraining. As a use case, we combine the Bayesian updates for SNGP with different sequential query strategies to exemplarily demonstrate their improved selection performance in active learning. Extending a dataset with new samples to train a deep learning model typically poses two problems. Updating a trained model may cause catastrophic forgetting while retraining may require high computational effort. Although the generalization performance typically justifies exhaustive retraining procedures, in some applications, retraining is not possible due to, for example, (1) the high number of retraining procedures in applications where data arrives sequentially and immediate updates are beneficial, e.g., in active learning (Settles, 2009) or when working on data streams (Sahoo et al., 2018), (2) the lack of computational power, e.g., for execution on embedded hardware (Taylor et al., 2018), (3) privacy reasons, e.g., when new data cannot be sent to distributed computing units (Taylor et al., 2018). Therefore, we suggest using Bayesian neural networks (BNNs, Fortuin, 2022) in the above examples as they not only provide additional uncertainty estimates or out-of-distribution detection capabilities but also allow updating the predictions with additional data without retraining the network (Kirsch et al., 2022). In this article, we develop a fast Bayesian update algorithm for BNNs. Figure 1 (left) shows the idea of sampling an ensemble of probabilistic hypotheses, each representing a possible true solution for the learning task (white samples).

We study algorithms using randomized value functions for exploration in reinforcement learning. This type of algorithms enjoys appealing empirical performance. We show that when we use 1) a single random seed in each episode, and 2) a Bernstein-type magnitude of noise, we obtain a worst-case $\widetilde{O}\left(H\sqrt{SAT}\right)$ regret bound for episodic time-inhomogeneous Markov Decision Process where $S$ is the size of state space, $A$ is the size of action space, $H$ is the planning horizon and $T$ is the number of interactions. This bound polynomially improves all existing bounds for algorithms based on randomized value functions, and for the first time, matches the $\Omega\left(H\sqrt{SAT}\right)$ lower bound up to logarithmic factors. Our result highlights that randomized exploration can be near-optimal, which was previously achieved only by optimistic algorithms. To achieve the desired result, we develop 1) a new clipping operation to ensure both the probability of being optimistic and the probability of being pessimistic are lower bounded by a constant, and 2) a new recursive formula for the absolute value of estimation errors to analyze the regret.

Sampling methods, as important inference and learning techniques, are typically designed for unconstrained domains. However, constraints are ubiquitous in machine learning problems, such as those on safety, fairness, robustness, and many other properties that must be satisfied to apply sampling results in real-life applications. Enforcing these constraints often leads to implicitly-defined manifolds, making efficient sampling with constraints very challenging. In this paper, we propose a new variational framework with a designed orthogonal-space gradient flow (O-Gradient) for sampling on a manifold $\mathcal{G}_0$ defined by general equality constraints. O-Gradient decomposes the gradient into two parts: one decreases the distance to $\mathcal{G}_0$ and the other decreases the KL divergence in the orthogonal space. While most existing manifold sampling methods require initialization on $\mathcal{G}_0$, O-Gradient does not require such prior knowledge. We prove that O-Gradient converges to the target constrained distribution with rate $\widetilde{O}(1/\text{the number of iterations})$ under mild conditions. Our proof relies on a new Stein characterization of conditional measure which could be of independent interest. We implement O-Gradient through both Langevin dynamics and Stein variational gradient descent and demonstrate its effectiveness in various experiments, including Bayesian deep neural networks.

A Bayesian pseudocoreset is a small synthetic dataset for which the posterior over parameters approximates that of the original dataset. While promising, the scalability of Bayesian pseudocoresets is not yet validated in realistic problems such as image classification with deep neural networks. On the other hand, dataset distillation methods similarly construct a small dataset such that the optimization using the synthetic dataset converges to a solution with performance competitive with optimization using full data. Although dataset distillation has been empirically verified in large-scale settings, the framework is restricted to point estimates, and their adaptation to Bayesian inference has not been explored. This paper casts two representative dataset distillation algorithms as approximations to methods for constructing pseudocoresets by minimizing specific divergence measures: reverse KL divergence and Wasserstein distance. Furthermore, we provide a unifying view of such divergence measures in Bayesian pseudocoreset construction. Finally, we propose a novel Bayesian pseudocoreset algorithm based on minimizing forward KL divergence. Our empirical results demonstrate that the pseudocoresets constructed from these methods reflect the true posterior even in high-dimensional Bayesian inference problems.