We study the discriminative probabilistic modeling problem on a continuous domain for (multimodal) self-supervised representation learning. To address the challenge of computing the integral in the partition function for each anchor data, we leverage the multiple importance sampling (MIS) technique for robust Monte Carlo integration, which can recover InfoNCE-based contrastive loss as a special case. Within this probabilistic modeling framework, we conduct generalization error analysis to reveal the limitation of current InfoNCE-based contrastive loss for self-supervised representation learning and derive insights for developing better approaches by reducing the error of Monte Carlo integration. To this end, we propose a novel non-parametric method for approximating the sum of conditional densities required by MIS through convex optimization, yielding a new contrastive objective for self-supervised representation learning. Moreover, we design an efficient algorithm for solving the proposed objective. We empirically compare our algorithm to representative baselines on the contrastive image-language pretraining task. Experimental results on the CC3M and CC12M datasets demonstrate the superior overall performance of our algorithm.

Downsampling or under-sampling is a technique that is utilized in the context of large and highly imbalanced classification models. We study optimal downsampling for imbalanced classification using generalized linear models (GLMs). We propose a pseudo maximum likelihood estimator and study its asymptotic normality in the context of increasingly imbalanced populations relative to an increasingly large sample size. We provide theoretical guarantees for the introduced estimator. Additionally, we compute the optimal downsampling rate using a criterion that balances statistical accuracy and computational efficiency. Our numerical experiments, conducted on both synthetic and empirical data, further validate our theoretical results, and demonstrate that the introduced estimator outperforms commonly available alternatives.

In recent years, unbiased Markov Chain Monte Carlo via couplings (UMCMC) has emerged as a promising framework to remove bias from MCMC estimates, thus potentially allowing for early stopping, simplifying the convergence diagnostic process and facilitating parallelization (Glynn and Rhee, 2014; Jacob et al., 2020). In UMCMC, coupled chains are run for a random number of iterations (at least up to coalescence) and their values are combined to produce unbiased estimates. A natural question that arises is whether this class of estimates incurs a greater computational cost than conventional MCMC based on simple ergodic averages and to quantify this potential difference. Framing the question differently, one may ask whether it is possible to devise UMCMC methods with computational cost matching top performing MCMCs, while enjoying the above mentioned benefits. On a different line of research, various works showed how carefully designed blocked Gibbs Samplers (BGSs), i.e. Gibbs sampling schemes that update entire blocks of coordinates jointly, can achieve state-of-the-art performances for sampling from the posterior distributions of various challenging high-dimensional Bayesian models, such as non-nested models with crossed dependencies (Papaspiliopoulos et al., 2019, 2023). In particular, BGSs achieve linear computational costs in the number of parameters and observations in asymptotic regimes where both diverge to infinity.

Causal machine learning (ML) offers flexible, data-driven methods for predicting treatment outcomes. Here, we present how methods from causal ML can be used to understand the effectiveness of treatments, thereby supporting the assessment and safety of drugs. A key benefit of causal ML is that allows for estimating individualized treatment effects, as well as personalized predictions of potential patient outcomes under different treatments. This offers granular insights into when treatments are effective, so that decision-making in patient care can be personalized to individual patient profiles. We further discuss how causal ML can be used in combination with both clinical trial data as well as real-world data such as clinical registries and electronic health records. We finally provide recommendations for the reliable use of causal ML in medicine. First published in Nature Medicine, 30, 958-968 (2024) by Springer Nature. Assessing the effectiveness of treatments is crucial to ensure patient safety and personalize patient care. Recent innovations in machine learning (ML) offer new, data-driven methods to estimate treatment effects from data. This branch in ML is commonly referred to as causal ML as it aims to predict a causal quantity, namely, the patient outcomes due to treatment [1]. Causal ML can be used in order to estimate treatment effects from both experimental data obtained through randomized controlled trials (RCTs) and observational data obtained from clinical registries, electronic health records, and other real-world data (RWD) sources to generate clinical evidence. A key strength of causal ML is that it allows to estimate individualized treatment effects, as well as to make personalized predictions of potential patient outcomes under different treatments.

We propose a general purpose Bayesian inference algorithm for expensive likelihoods, replacing the stochastic term in the Langevin equation with a deterministic density gradient term. The particle density is evaluated from the current particle positions using a Normalizing Flow (NF), which is differentiable and has good generalization properties in high dimensions. We take advantage of NF preconditioning and NF based Metropolis-Hastings updates for a faster convergence. We show on various examples that the method is competitive against state of the art sampling methods.

Reinforcement learning (RL) algorithms combined with modern function approximators such as kernel functions and deep neural networks have achieved significant empirical successes in large-scale application problems with a massive number of states. From a theoretical perspective, however, RL with functional approximation poses a fundamental challenge to developing algorithms with provable computational and statistical efficiency, due to the need to take into consideration both the exploration-exploitation tradeoff that is inherent in RL and the bias-variance tradeoff that is innate in statistical estimation. To address such a challenge, focusing on the episodic setting where the action-value functions are represented by a kernel function or over-parametrized neural network, we propose the first provable RL algorithm with both polynomial runtime and sample complexity, without additional assumptions on the data-generating model. In particular, for both the kernel and neural settings, we prove that an optimistic modification of the least-squares value iteration algorithm incurs an \tilde{\mathcal{O}}(\delta_{\cF} H 2 \sqrt{T}) regret, where \delta_{\cF} characterizes the intrinsic complexity of the function class \cF, H is the length of each episode, and T is the total number of episodes. Our regret bounds are independent of the number of states and therefore even allows it to diverge, which exhibits the benefit of function approximation.

The present contribution deals with decentralized policy evaluation in multi-agent Markov decision processes using temporal-difference (TD) methods with linear function approximation for scalability. The agents cooperate to estimate the value function of such a process by observing continual state transitions of a shared environment over the graph of interconnected nodes (agents), along with locally private rewards. Different from existing consensus-type TD algorithms, the approach here develops a simple decentralized TD tracker by wedding TD learning with gradient tracking techniques. The non-asymptotic properties of the novel TD tracker are established for both independent and identically distributed (i.i.d.) as well as Markovian transitions through a unifying multistep Lyapunov analysis. In contrast to the prior art, the novel algorithm forgoes the limiting error bounds on the number of agents, which endows it with performance comparable to that of centralized TD methods that are the sharpest known to date.

Determinantal point processes (DPPs) have attracted substantial attention as an elegant probabilistic model that captures the balance between quality and diversity within sets. DPPs are conventionally parameterized by a positive semi-definite kernel matrix, and this symmetric kernel encodes only repulsive interactions between items. These so-called symmetric DPPs have significant expressive power, and have been successfully applied to a variety of machine learning tasks, including recommendation systems, information retrieval, and automatic summarization, among many others. Efficient algorithms for learning symmetric DPPs and sampling from these models have been reasonably well studied. However, relatively little attention has been given to nonsymmetric DPPs, which relax the symmetric constraint on the kernel. Nonsymmetric DPPs allow for both repulsive and attractive item interactions, which can significantly improve modeling power, resulting in a model that may better fit for some applications.

Designing flexible probabilistic models over tree topologies is important for developing efficient phylogenetic inference methods. To do that, previous works often leverage the similarity of tree topologies via hand-engineered heuristic features which would require domain expertise and may suffer from limited approximation capability. In this paper, we propose a deep autoregressive model for phylogenetic inference based on graph neural networks (GNNs), called ARTree. By decomposing a tree topology into a sequence of leaf node addition operations and modeling the involved conditional distributions based on learnable topological features via GNNs, ARTree can provide a rich family of distributions over tree topologies that have simple sampling algorithms, without using heuristic features. We demonstrate the effectiveness and efficiency of our method on a benchmark of challenging real data tree topology density estimation and variational Bayesian phylogenetic inference problems.

Recent advances in optical voltage sensors have brought us closer to a critical goal in cellular neuroscience: imaging the full spatiotemporal voltage on a dendritic tree. However, current sensors and imaging approaches still face significant limitations in SNR and sampling frequency; therefore statistical denoising and interpolation methods remain critical for understanding single-trial spatiotemporal dendritic voltage dynamics. Previous denoising approaches were either based on an inadequate linear voltage model or scaled poorly to large trees. Here we introduce a scalable fully Bayesian approach. We develop a generative nonlinear model that requires few parameters per compartment of the cell but is nonetheless flexible enough to sample realistic spatiotemporal data.