Density Ratio-based Proxy Causal Learning Without Density Ratios

We address the setting of Proxy Causal Learning (PCL), which has the goal of estimating causal effects from observed data in the presence of hidden confounding. Proxy methods accomplish this task using two proxy variables related to the latent confounder: a treatment proxy (related to the treatment) and an outcome proxy (related to the outcome). Two approaches have been proposed to perform causal effect estimation given proxy variables; however only one of these has found mainstream acceptance, since the other was understood to require density ratio estimation - a challenging task in high dimensions. In the present work, we propose a practical and effective implementation of the second approach, which bypasses explicit density ratio estimation and is suitable for continuous and high-dimensional treatments. We employ kernel ridge regression to derive estimators, resulting in simple closed-form solutions for dose-response and conditional dose-response curves, along with consistency guarantees. Our methods empirically demonstrate superior or comparable performance to existing frameworks on synthetic and real-world datasets.

Learning-Order Autoregressive Models with Application to Molecular Graph Generation

Autoregressive models (ARMs) have become the workhorse for sequence generation tasks, since many problems can be modeled as next-token prediction. While there appears to be a natural ordering for text (i.e., left-to-right), for many data types, such as graphs, the canonical ordering is less obvious. To address this problem, we introduce a variant of ARM that generates high-dimensional data using a probabilistic ordering that is sequentially inferred from data. This model incorporates a trainable probability distribution, referred to as an \emph{order-policy}, that dynamically decides the autoregressive order in a state-dependent manner. To train the model, we introduce a variational lower bound on the exact log-likelihood, which we optimize with stochastic gradient estimation. We demonstrate experimentally that our method can learn meaningful autoregressive orderings in image and graph generation. On the challenging domain of molecular graph generation, we achieve state-of-the-art results on the QM9 and ZINC250k benchmarks, evaluated using the Fr\'{e}chet ChemNet Distance (FCD).

Sleepless Nights, Sugary Days: Creating Synthetic Users with Health Conditions for Realistic Coaching Agent Interactions

We present an end-to-end framework for generating synthetic users for evaluating interactive agents designed to encourage positive behavior changes, such as in health and lifestyle coaching. The synthetic users are grounded in health and lifestyle conditions, specifically sleep and diabetes management in this study, to ensure realistic interactions with the health coaching agent. Synthetic users are created in two stages: first, structured data are generated grounded in real-world health and lifestyle factors in addition to basic demographics and behavioral attributes; second, full profiles of the synthetic users are developed conditioned on the structured data. Interactions between synthetic users and the coaching agent are simulated using generative agent-based models such as Concordia, or directly by prompting a language model. Using two independently-developed agents for sleep and diabetes coaching as case studies, the validity of this framework is demonstrated by analyzing the coaching agent's understanding of the synthetic users' needs and challenges. Finally, through multiple blinded evaluations of user-coach interactions by human experts, we demonstrate that our synthetic users with health and behavioral attributes more accurately portray real human users with the same attributes, compared to generic synthetic users not grounded in such attributes. The proposed framework lays the foundation for efficient development of conversational agents through extensive, realistic, and grounded simulated interactions.

Distributional Diffusion Models with Scoring Rules

Diffusion models generate high-quality synthetic data. They operate by defining a continuous-time forward process which gradually adds Gaussian noise to data until fully corrupted. The corresponding reverse process progressively "denoises" a Gaussian sample into a sample from the data distribution. However, generating high-quality outputs requires many discretization steps to obtain a faithful approximation of the reverse process. This is expensive and has motivated the development of many acceleration methods. We propose to accomplish sample generation by learning the posterior {\em distribution} of clean data samples given their noisy versions, instead of only the mean of this distribution. This allows us to sample from the probability transitions of the reverse process on a coarse time scale, significantly accelerating inference with minimal degradation of the quality of the output. This is accomplished by replacing the standard regression loss used to estimate conditional means with a scoring rule. We validate our method on image and robot trajectory generation, where we consistently outperform standard diffusion models at few discretization steps.

Accelerated Diffusion Models via Speculative Sampling

Speculative sampling is a popular technique for accelerating inference in Large Language Models by generating candidate tokens using a fast draft model and accepting or rejecting them based on the target model's distribution. While speculative sampling was previously limited to discrete sequences, we extend it to diffusion models, which generate samples via continuous, vector-valued Markov chains. In this context, the target model is a high-quality but computationally expensive diffusion model. We propose various drafting strategies, including a simple and effective approach that does not require training a draft model and is applicable out of the box to any diffusion model. Our experiments demonstrate significant generation speedup on various diffusion models, halving the number of function evaluations, while generating exact samples from the target model.

Optimality and Adaptivity of Deep Neural Features for Instrumental Variable Regression

We provide a convergence analysis of deep feature instrumental variable (DFIV) regression (Xu et al., 2021), a nonparametric approach to IV regression using data-adaptive features learned by deep neural networks in two stages. We prove that the DFIV algorithm achieves the minimax optimal learning rate when the target structural function lies in a Besov space. This is shown under standard nonparametric IV assumptions, and an additional smoothness assumption on the regularity of the conditional distribution of the covariate given the instrument, which controls the difficulty of Stage 1. We further demonstrate that DFIV, as a data-adaptive algorithm, is superior to fixed-feature (kernel or sieve) IV methods in two ways. First, when the target function possesses low spatial homogeneity (i.e., it has both smooth and spiky/discontinuous regions), DFIV still achieves the optimal rate, while fixed-feature methods are shown to be strictly suboptimal. Second, comparing with kernel-based two-stage regression estimators, DFIV is provably more data efficient in the Stage 1 samples.

Prompting Strategies for Enabling Large Language Models to Infer Causation from Correlation

The reasoning abilities of Large Language Models (LLMs) are attracting increasing attention. In this work, we focus on causal reasoning and address the task of establishing causal relationships based on correlation information, a highly challenging problem on which several LLMs have shown poor performance. We introduce a prompting strategy for this problem that breaks the original task into fixed subquestions, with each subquestion corresponding to one step of a formal causal discovery algorithm, the PC algorithm. The proposed prompting strategy, PC-SubQ, guides the LLM to follow these algorithmic steps, by sequentially prompting it with one subquestion at a time, augmenting the next subquestion's prompt with the answer to the previous one(s). We evaluate our approach on an existing causal benchmark, Corr2Cause: our experiments indicate a performance improvement across five LLMs when comparing PC-SubQ to baseline prompting strategies. Results are robust to causal query perturbations, when modifying the variable names or paraphrasing the expressions.

Nonparametric Instrumental Regression via Kernel Methods is Minimax Optimal

We study the kernel instrumental variable algorithm of \citet{singh2019kernel}, a nonparametric two-stage least squares (2SLS) procedure which has demonstrated strong empirical performance. We provide a convergence analysis that covers both the identified and unidentified settings: when the structural function cannot be identified, we show that the kernel NPIV estimator converges to the IV solution with minimum norm. Crucially, our convergence is with respect to the strong $L_2$-norm, rather than a pseudo-norm. Additionally, we characterize the smoothness of the target function without relying on the instrument, instead leveraging a new description of the projected subspace size (this being closely related to the link condition in inverse learning literature). With the subspace size description and under standard kernel learning assumptions, we derive, for the first time, the minimax optimal learning rate for kernel NPIV in the strong $L_2$-norm. Our result demonstrates that the strength of the instrument is essential to achieve efficient learning. We also improve the original kernel NPIV algorithm by adopting a general spectral regularization in stage 1 regression. The modified regularization can overcome the saturation effect of Tikhonov regularization.

Spectral Representations for Accurate Causal Uncertainty Quantification with Gaussian Processes

Accurate uncertainty quantification for causal effects is essential for robust decision making in complex systems, but remains challenging in non-parametric settings. One promising framework represents conditional distributions in a reproducing kernel Hilbert space and places Gaussian process priors on them to infer posteriors on causal effects, but requires restrictive nuclear dominant kernels and approximations that lead to unreliable uncertainty estimates. In this work, we introduce a method, IMPspec, that addresses these limitations via a spectral representation of the Hilbert space. We show that posteriors in this model can be obtained explicitly, by extending a result in Hilbert space regression theory. We also learn the spectral representation to optimise posterior calibration. Our method achieves state-of-the-art performance in uncertainty quantification and causal Bayesian optimisation across simulations and a healthcare application.

Credal Two-Sample Tests of Epistemic Ignorance

We introduce credal two-sample testing, a new hypothesis testing framework for comparing credal sets -- convex sets of probability measures where each element captures aleatoric uncertainty and the set itself represents epistemic uncertainty that arises from the modeller's partial ignorance. Classical two-sample tests, which rely on comparing precise distributions, fail to address epistemic uncertainty due to partial ignorance. To bridge this gap, we generalise two-sample tests to compare credal sets, enabling reasoning for equality, inclusion, intersection, and mutual exclusivity, each offering unique insights into the modeller's epistemic beliefs. We formalise these tests as two-sample tests with nuisance parameters and introduce the first permutation-based solution for this class of problems, significantly improving upon existing methods. Our approach properly incorporates the modeller's epistemic uncertainty into hypothesis testing, leading to more robust and credible conclusions, with kernel-based implementations for real-world applications.