Genre
Large-scale empirical tuning and comparison of default optimizers for variational inference
Campbell, Trevor, Huggins, Jonathan H., Kim, Kyurae, Margossian, Charles C.
Black-box variational inference (BBVI) is a methodology for posterior approximation that relies on stochastic optimization. In practice, the stochastic optimizers underpinning BBVI generally require extensive problem-specific tuning, which undermines its promise as a truly "black box" inference algorithm. However, over the past decade, many new adaptive stochastic optimization algorithms have been developed that reduce or remove entirely the need for tuning. In this work, we investigate this new collection of adaptive methods in the context of BBVI, with the goal of establishing the current state of the art in tuning-free optimization-based inference. In particular, we present a large-scale empirical evaluation of 56 stochastic gradient-based optimization algorithms applied to 1092 Bayesian inference optimization problems, involving over 550,000 individual optimization runs and 15 core-years of compute. The optimization algorithms we evaluate are chosen to represent a wide spectrum of recent approaches and the benchmark problems are chosen to span a range of difficulty, with posterior target dimension 1-10^4, condition number 1-10^8, and a range of variational families. Our results show that no single method dominates, but running a selection of 5 algorithms suffices to reliably get close to the best-possible observed performance. We thus provide a strong baseline for applications where expert tuning is not possible and for comparison when developing new stochastic optimization algorithms.
Boundary Variance Inflation Causes Acquisition Bias in Gaussian Processes
Bรฅnkestad, Maria, Jarl, Sanna, Sjรถlund, Jens
Gaussian processes with stationary kernels on bounded domains exhibit inflated posterior variance near the boundary. Despite being a long-recognized artifact in geostatistics and a source of over-exploration in Bayesian optimization, the causes and effects of boundary-induced acquisition bias are underexplored. We trace the root cause to a simple geometric mechanism: the truncation of the kernel correlation neighborhood at the domain boundary creates an observation-independent distortion that worsens with dimensionality. We show how this distortion manifests across three acquisition classes: variance maximization concentrates selections at the corners, whereas negative integrated posterior variance and expected predictive information gain move selections inward to axis-aligned interior shells. These patterns arise without reference to any objective function, meaning that acquisition behavior can be dominated by kernel geometry rather than the desired task-specific uncertainty. To quantify this, we introduce a function-free selection-profile diagnostic for arbitrary acquisitions, kernels, and bounded-domain geometries.
Active Learning with Foundation Model Priors: Efficient Learning under Class Imbalance
Zhang, Jiancheng, Li, Meiqing, Zhang, Qi, Zhu, Yinglun
Real-world datasets across image and text domains are often characterized by skewed class distributions and noisy annotations, which jointly degrade model performance, particularly on minority classes. Among existing solutions, active learning offers an effective and efficient paradigm by selectively querying the most informative and balanced samples for annotation. We propose an innovative active learning framework that mitigates class imbalance and selects the most informative samples to annotate. Leveraging foundation model priors, our algorithm enables imbalance-aware co-decisions between foundation model and small model to tackle noisy and imbalanced labels across various domains. We introduce the first study to systematically explore active learning under the dual challenges of label noise and class imbalance across image and text domains. Extensive experiments on imbalanced datasets demonstrate that our method achieves substantial annotation savings-over 50% compared to the best active learning baseline-while preserving performance and robustness to label noise.
LOTTERY: Learning from Reference-Only Samples in Two-Sample Testing under Size Asymmetry
Tian, Xunye, Zhou, Zhijian, Peng, Liuhua, Liu, Feng
Data-adaptive two-sample testing assesses if two samples come from the same distribution, using a discrepancy learned from the data (e.g., via kernel-based feature representations). Such methods typically rely on data splitting to decouple learning from testing and control type I error. However, this paradigm is ill-suited to few-shot settings with severe sample-size imbalance: abundant reference samples are available, while only a handful of query samples arrive. In this paper, we show how this imbalance can be leveraged constructively. Using abundant reference data, we learn reference-dependent representations that summarize salient structure of the reference distribution and provide informative signals for detecting departures. We incorporate a collection of representation families that capture both global and local structure, and adaptively weight them using only reference samples via an uncertainty-guided principle. Theoretically, we establish permutation-based type I error control and show consistency of the aggregated test: as the sample sizes grow, the test power converges to one whenever the representation set contains at least one consistent representation. Empirically, our aggregation achieves strong performance across a range of benchmarks while retaining type I error control.
Vector Space of Cycles
Chung, Moo K., El-Yaagoubi, Anass B., Ombao, Hernando
Most statistical and machine learning methods for directed interactions focus on pairwise effects among variables. Even existing cyclic models represent feedback primarily through node-level dependencies, making large-scale recurrent organization difficult to estimate and compare. This limitation is particularly acute in biological and neural systems, where interactions are highly recurrent and involve many overlapping cycles. We introduce a variational framework for statistical inference on cyclic interactions. Directed interactions are represented as edge flows on a simplicial complex and evolved under an energy-minimizing dynamical system. The resulting dynamics separate transient interaction components from persistent harmonic flows, yielding a low-dimensional cycle space that captures stable recurrent organization. Rather than enumerating individual cycles, the proposed framework represents cyclic interactions as elements of a Hilbert space, enabling projection, averaging, comparison, and population-level statistical inference. We establish theoretical properties of the harmonic projection, including characterization of the cycle space, variance reduction, and population inference. Simulations demonstrate substantially improved recovery of cyclic structure in dense recurrent systems compared with existing directed-interaction methods. Applied to resting-state fMRI from 400 human subjects, the framework reveals reproducible large-scale cyclic organization that is not detectable through edgewise averaging. These results provide a scalable statistical framework for studying recurrent interactions in high-dimensional dynamical systems.
Local Preferential Bayesian Optimization
Menn, Johanna, Kober, Miriam, Brunzema, Paul, Stenger, David, Trimpe, Sebastian
Bayesian optimization (BO) is a popular and effective approach for tuning expensive, noisy experiments, but requires the formulation of an explicit objective function. Preferential BO (PBO) removes this requirement by learning from pairwise human feedback, yet existing methods struggle to efficiently optimize beyond low- and medium-dimensional problems due to their global search approaches. We address this limitation by developing a family of local PBO methods that transfer key ideas from high-dimensional BO to the preferential setting. In particular, we introduce local PBO methods which adapt trust-region and derivative-informed local search to pairwise preference feedback, where the latter exploits first- and second-order derivatives of the Laplace-approximated GP posterior. Our benchmark on GP sample paths, standard optimization benchmark functions, and policy-search tasks shows that local PBO methods are especially effective in high-dimensional and complex landscapes with steep optima. Compared with global preference-based baselines, they can substantially reduce cumulative regret, making them particularly useful for real-world preference-based optimization tasks such as policy search.
Parameter-Free and Group Conditional Online Conformal Prediction
Bharti, Beepul, Pal, Ambar, Teneggi, Jacopo, Sulam, Jeremias
Uncertainty quantification (UQ) is critical for the deployment of machine learning predictors in real-world scenarios where the data distribution may shift over time (i.e., data may not be exchangeable). Online conformal prediction (OCP) methods address this issue at the expense of either (i) group-wise error control or (ii) learning-rate independent implementation. Group-conditional coverage is essential for fairness across different collections of data points and for providing finer UQ guarantees. Parameter-free optimization is crucial for robustness to adversarial and unknown data shifts. We propose a parameter-free algorithm for group-conditional OCP and demonstrate that it achieves the best group-conditional coverage guarantees. We evaluate our algorithm on synthetic and real-world data, demonstrating that our method not only improves the reliability of existing parameter-free OCP methods but also provides prediction intervals that are comparable in size to well-tuned group-conditional approaches. By unifying group-conditional coverage with parameter-free online algorithms, our work lays a foundation for fair and robust uncertainty quantification in shifting environments.
CP-factorization for high dimensional tensor time series and double projection iterations
Chang, Jinyuan, Huang, Guanglin, Yao, Qiwei, Yu, Long
We adopt the canonical polyadic (CP) decomposition to model high-dimensional tensor time series. Our primary goal is to identify and estimate the factor loadings in the CP decomposition. We propose a one-pass estimation procedure through standard eigen-analysis for a matrix constructed based on the serial dependence structure of the data. The asymptotic properties of the proposed estimator are established under a general setting as long as the factor loading vectors are linearly independent, allowing the factors to be correlated and the factor loading vectors to be not nearly orthogonal. The procedure adapts to the sparsity of the factor loading vectors, accommodates weak factors, and demonstrates strong performance across a wide range of scenarios. To further reduce estimation errors, we also introduce an iterative algorithm based on a novel double projection approach. We theoretically justify the improved convergence rate of the iterative estimator, and derive the associated limiting distribution. A consistent estimator of the asymptotic variance is also provided, which plays a key role in the related inference problems. All results are validated through extensive simulations and two real data applications.
Estimate Collapsibility of Causal Effects in Completed Partial DAGs via Strong d-Convex Hulls
Deng, Yuxin, Sun, Yi, Li, Zhiming, Liu, Huaxiong
This paper proposes a collapsible method for estimating causal effects that maintains the estimator's consistency before and after marginalization over some variables in completed partially directed acyclic graphs (CPDAGs). We first introduce the estimate collapsibility for CPDAGs and characterize the minimal collapsible sets as strong d-convex hulls. An efficient algorithm is devised to obtain such sets in DAGs and is generalized to CPDAGs. Then, we combine the graph reduction procedure with the IDA framework.
Beyond Additivity: Causal Discovery in Location-Scale Noise Models with Hidden Variables
Khan, Mariyam, Shimizu, Shohei, Pham, Thong
We study causal discovery from observational data when some variables are hidden and the data-generating process follows a location-scale noise model (LSNM). Existing methods that handle hidden confounders typically assume additive noise, but in practice, causes often modulate not just the mean but also the variance of their effects. We prove that acyclic directed mixed graphs (ADMGs) satisfying a bow-free condition are identifiable under LSNM with hidden variables, establishing the first identifiability result for causally insufficient models beyond noise additivity. We further provide sufficient conditions for identifying causal direction even when the bow-free assumption is violated. Our two-stage algorithm, LSNM-UV, is sound and complete, and experiments demonstrate improved performance over additive baselines on heteroscedastic data.