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 Uncertainty


Parallelizing MCMCAcross the Sequence Length

Neural Information Processing Systems

Markov chain Monte Carlo (MCMC) methods are foundational algorithms for Bayesian inference and probabilistic modeling. However, most MCMC algorithms are inherently sequential and their time complexity scales linearly with the sequence length. Previous work on adapting MCMC to modern hardware has therefore focused on running many independent chains in parallel. Here, we take an alternative approach: we propose algorithms to evaluate MCMC samplers in parallel across the chain length. To do this, we build on recent methods for parallel evaluation of nonlinear recursions that formulate the state sequence as a solution to a fixed-point problem and solve for the fixed-point using a parallel form of Newton's method. We show how this approach can be used to parallelize Gibbs, Metropolis-adjusted Langevin, and Hamiltonian Monte Carlo sampling across the sequence length. In several examples, we demonstrate the simulation of up to hundreds of thousands of MCMC samples with only tens of parallel Newton iterations. Additionally, we develop two new parallel quasi-Newton methods to evaluate nonlinear recursions with lower memory costs and reduced runtime. We find that the proposed parallel algorithms accelerate MCMC sampling across multiple examples, in some cases by more than an order of magnitude compared to sequential evaluation.


Towards Identifiability of Hierarchical Temporal Causal Representation Learning

Neural Information Processing Systems

Modeling hierarchical latent dynamics behind time series data is critical for capturing temporal dependencies across multiple levels of abstraction in real-world tasks. However, existing temporal causal representation learning methods fail to capture such dynamics, as they fail to recover the joint distribution of hierarchical latent variables from single-timestep observed variables. Interestingly, we find that the joint distribution of hierarchical latent variables can be uniquely determined using three conditionally independent observations. Building on this insight, we propose a Causally Hierarchical Latent Dynamic (CHiLD) identification framework. Our approach first employs temporal contextual observed variables to identify the joint distribution of multi-layer latent variables. Sequentially, we exploit the natural sparsity of the hierarchical structure among latent variables to identify latent variables within each layer. Guided by the theoretical results, we develop a time series generative model grounded in variational inference. This model incorporates a contextual encoder to reconstruct multi-layer latent variables and normalize flowbased hierarchical prior networks to impose the independent noise condition of hierarchical latent dynamics. Empirical evaluations on both synthetic and realworld datasets validate our theoretical claims and demonstrate the effectiveness of CHiLD in modeling hierarchical latent dynamics.


Gene Regulatory Network Inference in the Presence of Selection Bias and Latent Confounders

Neural Information Processing Systems

Gene regulatory network inference (GRNI) aims to discover how genes causally regulate each other from gene expression data. It is well-known that statistical dependencies in observed data do not necessarily imply causation, as spurious dependencies may arise from latent confounders, such as non-coding RNAs. Numerous GRNI methods have thus been proposed to address this confounding issue. However, dependencies may also result from selection-only cells satisfying certain survival or inclusion criteria are observed-while these selection-induced spurious dependencies are frequently overlooked in gene expression data analyses. In this work, we show that such selection is ubiquitous and, when ignored or conflated with true regulations, can lead to flawed causal interpretation and misguided intervention recommendations. To address this challenge, a fundamental question arises: can we distinguish dependencies due to regulation, confounding, and crucially, selection? We show that gene perturbations offer a simple yet effective answer: selection-induced dependencies are symmetric under perturbation, while those from regulation or confounding are not. Building on this motivation, we propose GISL (Gene regulatory network Inference in the presence of Selection bias and Latent confounders), a principled algorithm that leverages perturbation data to uncover both true gene regulatory relations and non-regulatory mechanisms of selection and confounding up to the equivalence class. Experiments on synthetic and real-world gene expression data demonstrate the effectiveness of our method.


Gaussian Processes for Shuffled Regression

Neural Information Processing Systems

Shuffled regression is the problem of learning regression functions from shuffled data where the correspondence between the input features and target response is unknown. This paper proposes a probabilistic model for shuffled regression called Gaussian Process Shuffled Regression (GPSR). By introducing Gaussian processes as a prior of regression functions in function space via the kernel function, GPSR can express a wide variety of functions in a nonparametric manner while quantifying the uncertainty of the prediction. By adopting the Bayesian evidence maximization framework and a theoretical analysis of the connection between the marginal likelihood/predictive distribution of GPSR and that of standard Gaussian process regression (GPR), we derive an easy-to-implement inference algorithm for GPSR that iteratively applies GPR and updates the input-output correspondence. To reduce computation costs and obtain closed-form solutions for correspondence updates, we also develop a sparse approximate variant of GPSR using its weight space formulation, which can be seen as Bayesian shuffled linear regression with random Fourier features. Experiments on benchmark datasets confirm the effectiveness of our GPSR proposal.


An Adaptive Quantum Circuit of Dempster's Rule of Combination for Uncertain Pattern Classification

Neural Information Processing Systems

In pattern classification, efficient uncertainty reasoning plays a critical role, particularly in real-time applications involving noisy data, ambiguous class boundaries, or overlapping categories. Leveraging the advanced computational power of quantum computing, an Adaptive Quantum Circuit for Dempster's Rule of Combination (AQC-DRC) is proposed to address efficient classification under uncertain environments. The AQC-DRC is developed within the framework of quantum evidence theory (QET) and facilitates decision-making based on quantum basic probability and plausibility levels, which is a generalized Bayesian inference method. The AQC-DRC provides a deterministic computation of DRC, ensuring that quantum fusion outcomes in uncertain pattern classification are exactly aligned with those of the classical method, while simultaneously achieving exponential reductions in the computational complexity of evidence combination and significantly improving fusion efficiency. It is founded that the quantum basic probability amplitude function in QET, as a generalized quantum probability amplitude, can be naturally utilized to express the quantum amplitude encoding. In addition, the quantum basic probability in QET, as a generalized quantum probability, naturally forms a quantum basic probability distribution and can be used to represent quantum measurement outcomes for quantum basic probability level decision-making. Furthermore, the quantum plausibility function in QET also can be naturally used to express the quantum measurement outcomes for quantum plausibility level decision-making. These findings enrich the physical understanding of quantum amplitude encoding and quantum measurement outcomes, offering broad application prospects for representing and processing uncertain knowledge in pattern classification.


ResponseRank: Data-Efficient Reward Modeling through Preference Strength Learning

Neural Information Processing Systems

Binary choices, as often used for reinforcement learning from human feedback (RLHF), convey only the direction of a preference. A person may choose apples over oranges and bananas over grapes, but which preference is stronger? Strength is crucial for decision-making under uncertainty and generalization of preference models, but hard to measure reliably. Metadata such as response times and interannotator agreement can serve as proxies for strength, but are often noisy and confounded. We propose ResponseRank to address the challenge of learning from noisy strength signals. Our method uses relative differences in proxy signals to rank responses to pairwise comparisons by their inferred preference strength. To control for systemic variation, we compare signals only locally within carefully constructed strata. This enables robust learning of utility differences consistent with strengthderived rankings while making minimal assumptions about the strength signal. Our contributions are threefold: (1) ResponseRank, a novel method that robustly learns preference strength by leveraging locally valid relative strength signals; (2) empirical evidence of improved sample efficiency and robustness across diverse tasks: synthetic preference learning (with simulated response times), language modeling (with annotator agreement), and RL control tasks (with simulated episode returns); and (3) the Pearson Distance Correlation (PDC), a novel metric that isolates cardinal utility learning from ordinal accuracy.


Conditional Forecasts and Proper Scoring Rules for Reliable and Accurate Performative Predictions

Neural Information Processing Systems

Performative predictions are forecasts which influence the outcomes they aim to predict, undermining the existence of correct forecasts and standard methods of elicitation and estimation. We show that conditioning forecasts on covariates that separate them from the outcome renders the target distribution forecast-invariant, guaranteeing well-posedness of the forecasting problem. However, even under this condition, classical proper scoring rules fail to elicit correct forecasts. We prove a general impossibility result and identify two solutions: (i) in decision-theoretic settings, elicitation of correct and incentive-compatible forecasts is possible if forecasts are separating; (ii) scoring with unbiased estimates of the divergence between the forecast and the induced distribution of the target variable yields correct forecasts. Applying these insights to parameter estimation, conditional forecasts and proper scoring rules enable performatively stable estimation of performatively correct parameters, resolving the issues raised by Perdomo et al. (2020). Our results expose fundamental limits of classical forecast evaluation and offer new tools for reliable and accurate forecasting in performative settings.


Adjoint Schrödinger Bridge Sampler

Neural Information Processing Systems

Computational methods for learning to sample from the Boltzmann distribution-- where the target distribution is known only up to an unnormalized energy function-- have advanced significantly recently. Due to the lack of explicit target samples, however, prior diffusion-based methods, known as diffusion samplers, often require importance-weighted estimation or complicated learning processes.


Improved Confidence Regions and Optimal Algorithms for Online and Offline Linear MNL Bandits

Neural Information Processing Systems

In this work, we consider the data-driven assortment optimization problem under the linear multinomial logit (MNL) choice model. We first establish an improved confidence region for the maximum-likelihood-estimator (MLE) of the d-dimensional linear MNL likelihood function that removes the explicit dependency on a problem-dependent parameter κ 1 in previous result [42], which scales exponentially with the radius of the parameter set. Building on the confidence region result, we investigate the data-driven assortment optimization problem in both offline and online settings.


Estimating cognitive biases with attention-aware inverse planning

Neural Information Processing Systems

People's goal-directed behaviors are influenced by their cognitive biases, and autonomous systems that interact with people should be aware of this. For example, people's attention to objects in their environment will be biased in a way that systematically affects how they perform everyday tasks such as driving to work. Here, building on recent work in computational cognitive science, we formally articulate the attention-aware inverse planning problem, in which the goal is to estimate a person's attentional biases from their actions. We demonstrate how attention-aware inverse planning systematically differs from standard inverse reinforcement learning and how cognitive biases can be inferred from behavior. Finally, we present an approach to attention-aware inverse planning that combines deep reinforcement learning with computational cognitive modeling. We use this approach to infer the attentional strategies of RL agents in real-life driving scenarios selected from the Waymo Open Dataset, demonstrating the scalability of estimating cognitive biases with attention-aware inverse planning.