Statistical Learning
Variational Gaussian Approximation in Replica Analysis of Parametric Models
We revisit the replica method for analyzing inference and learning in parametric models, considering situations where the data-generating distribution is unknown or analytically intractable. Instead of assuming idealized distributions to carry out quenched averages analytically, we use a variational Gaussian approximation for the replicated system in grand canonical formalism in which the data average can be deferred and replaced by empirical averages, leading to stationarity conditions that adaptively determine the parameters of the trial Hamiltonian for each dataset. This approach clarifies how fluctuations affect information extraction and connects directly with the results of mathematical statistics or learning theory such as information criteria. As a concrete application, we analyze linear regression and derive learning curves. This includes cases with real-world datasets, where exact replica calculations are not feasible.
Egalitarian Gradient Descent: A Simple Approach to Accelerated Grokking
Pasand, Ali Saheb, Dohmatob, Elvis
Grokking is the phenomenon whereby, unlike the training performance, which peaks early in the training process, the test/generalization performance of a model stagnates over arbitrarily many epochs and then suddenly jumps to usually close to perfect levels. In practice, it is desirable to reduce the length of such plateaus, that is to make the learning process "grok" faster. In this work, we provide new insights into grokking. First, we show both empirically and theoretically that grokking can be induced by asymmetric speeds of (stochastic) gradient descent, along different principal (i.e singular directions) of the gradients. We then propose a simple modification that normalizes the gradients so that dynamics along all the principal directions evolves at exactly the same speed. Then, we establish that this modified method, which we call egalitarian gradient descent (EGD) and can be seen as a carefully modified form of natural gradient descent, groks much faster. In fact, in some cases the stagnation is completely removed. Finally, we empirically show that on classical arithmetic problems such as modular addition and sparse parity problem which this stagnation has been widely observed and intensively studied, that our proposed method eliminates the plateaus.
Latent Uncertainty Representations for Video-based Driver Action and Intention Recognition
Vellenga, Koen, Steinhauer, H. Joe, Andersson, Jonas, Sjรถgren, Anders
Deep neural networks (DNNs) are increasingly applied to safety-critical tasks in resource-constrained environments, such as video-based driver action and intention recognition. While last layer probabilistic deep learning (LL-PDL) methods can detect out-of-distribution (OOD) instances, their performance varies. As an alternative to last layer approaches, we propose extending pre-trained DNNs with transformation layers to produce multiple latent representations to estimate the uncertainty. W e evaluate our latent uncertainty representation (LUR) and repulsively trained LUR (RLUR) approaches against eight PDL methods across four video-based driver action and intention recognition datasets, comparing classification performance, calibration, and uncertainty-based OOD detection. W e also contribute 28,000 frame-level action labels and 1,194 video-level intention labels for the NuScenes dataset. Our results show that LUR and RLUR achieve comparable in-distribution classification performance to other LL-PDL approaches. F or uncertainty-based OOD detection, LUR matches top-performing PDL methods while being more efficient to train and easier to tune than approaches that require Markov-Chain Monte Carlo sampling or repulsive training procedures.
Mapping Patient-Perceived Physician Traits from Nationwide Online Reviews with LLMs
Luo, Junjie, Han, Rui, Welivita, Arshana, Di, Zeleikun, Wu, Jingfu, Zhi, Xuzhe, Agarwal, Ritu, Gao, Gordon
Interpersonal and professional qualities of physicians profoundly shape patient trust, communication, adherence, and health outcomes [1, 2]. Understanding these qualities from the patient's perspective is essential to advancing patient-centered care, yet current measurement tools--such as standardized surveys or aggregate star ratings--capture only a narrow view of the physician-patient relationship. In parallel, millions of online physician reviews now provide an abundant, patient-generated record of real-world experiences, offering an unprecedented opportunity to examine how physicians are perceived in everyday practice [3, 4, 5, 6]. Extracting clinically meaningful information from such narrative data remains challenging. Prior studies have typically relied on sentiment analysis or topic modeling, approaches that overlook the multidimensional nature of patient perceptions. Well-established frameworks from psychology, such as the Big Five personality traits [7], offer interpretable constructs for describing interpersonal style, but have rarely been operationalized at scale in healthcare settings [8]. Similarly, healthcare-specific qualities--communication effectiveness, perceived competence, attentiveness to outcomes, and trustworthiness--are widely recognized as central to care quality but are difficult to measure systematically. Manual coding of these traits is costly, inconsistent, and infeasible for national datasets. Recent advances in large language models (LLMs) enable a new approach [9].
Adaptively Sampling-Reusing-Mixing Decomposed Gradients to Speed Up Sharpness Aware Minimization
Sharpness-Aware Minimization (SAM) improves model generalization but doubles the computational cost of Stochastic Gradient Descent (SGD) by requiring twice the gradient calculations per optimization step. To mitigate this, we propose Adaptively sampling-Reusing-mixing decomposed gradients to significantly accelerate SAM (ARSAM). Concretely, we firstly discover that SAM's gradient can be decomposed into the SGD gradient and the Projection of the Second-order gradient onto the First-order gradient (PSF). Furthermore, we observe that the SGD gradient and PSF dynamically evolve during training, emphasizing the growing role of the PSF to achieve a flat minima. Therefore, ARSAM is proposed to the reused PSF and the timely updated PSF still maintain the model's generalization ability. Extensive experiments show that ARSAM achieves state-of-the-art accuracies comparable to SAM across diverse network architectures. On CIFAR-10/100, ARSAM is comparable to SAM while providing a speedup of about 40\%. Moreover, ARSAM accelerates optimization for the various challenge tasks (\textit{e.g.}, human pose estimation, and model quantization) without sacrificing performance, demonstrating its broad practicality.% The code is publicly accessible at: https://github.com/ajiaaa/ARSAM.
Beyond the Single-Best Model: Rashomon Partial Dependence Profile for Trustworthy Explanations in AutoML
Cavus, Mustafa, van Rijn, Jan N., Biecek, Przemysลaw
Automated machine learning systems efficiently streamline model selection but often focus on a single best-performing model, overlooking explanation uncertainty--an essential concern in human-centered explainable AI. To address this, we propose a novel framework that incorporates model multiplicity into explanation generation by aggregating partial dependence profiles (PDP) from a set of near-optimal models, known as the Rashomon set. The resulting Rashomon PDP captures interpretive variability and highlights areas of disagreement, providing users with a richer, uncertainty-aware view of feature effects. To evaluate its usefulness, we introduce two quantitative metrics, the coverage rate and the mean width of confidence intervals, to evaluate the consistency between the standard PDP and the proposed Rashomon PDP. Experiments on 35 regression datasets from the OpenML-CTR23 benchmark suite show that in most of the cases, the Rashomon PDP covers less than 70% of the best model's PDP, underscoring the limitations of single-model explanations. Our findings suggest that Rashomon PDP improves the reliability and trustworthiness of model interpretations by adding additional information that would otherwise be neglected. This is particularly useful in high-stakes domains where transparency and confidence are critical.
Beyond RLHF and NLHF: Population-Proportional Alignment under an Axiomatic Framework
Kim, Kihyun, Zhang, Jiawei, Ozdaglar, Asuman, Parrilo, Pablo A.
Conventional preference learning methods often prioritize opinions held more widely when aggregating preferences from multiple evaluators. This may result in policies that are biased in favor of some types of opinions or groups and susceptible to strategic manipulation. To address this issue, we develop a novel preference learning framework capable of aligning aggregate opinions and policies proportionally with the true population distribution of evaluator preferences. Grounded in social choice theory, our approach infers the feasible set of evaluator population distributions directly from pairwise comparison data. Using these estimates, the algorithm constructs a policy that satisfies foundational axioms from social choice theory, namely monotonicity and Pareto efficiency, as well as our newly-introduced axioms of population-proportional alignment and population-bounded manipulability. Moreover, we propose a soft-max relaxation method that smoothly trade-offs population-proportional alignment with the selection of the Condorcet winner (which beats all other options in pairwise comparisons). Finally, we validate the effectiveness and scalability of our approach through experiments on both tabular recommendation tasks and large language model alignment.
Rethinking Probabilistic Circuit Parameter Learning
Liu, Anji, Shao, Zilei, Broeck, Guy Van den
Probabilistic Circuits (PCs) offer a computationally scalable framework for generative modeling, supporting exact and efficient inference of a wide range of probabilistic queries. While recent advances have significantly improved the expressiveness and scalability of PCs, effectively training their parameters remains a challenge. In particular, a widely used optimization method, full-batch Expectation-Maximization (EM), requires processing the entire dataset before performing a single update, making it ineffective for large datasets. Although empirical extensions to the mini-batch setting, as well as gradient-based mini-batch algorithms, converge faster than full-batch EM, they generally underperform in terms of final likelihood. We investigate this gap by establishing a novel theoretical connection between these practical algorithms and the general EM objective. Our analysis reveals a fundamental issue that existing mini-batch EM and gradient-based methods fail to properly regularize distribution changes, causing each update to effectively ``overfit'' the current mini-batch. Motivated by this insight, we introduce anemone, a new mini-batch EM algorithm for PCs. Anemone applies an implicit adaptive learning rate to each parameter, scaled by how much it contributes to the likelihood of the current batch. Across extensive experiments on language, image, and DNA datasets, anemone consistently outperforms existing optimizers in both convergence speed and final performance.
Computing Exact Shapley Values in Polynomial Time for Product-Kernel Methods
Mohammadi, Majid, Chau, Siu Lun, Muandet, Krikamol
Kernel methods are widely used in machine learning due to their flexibility and expressiveness. However, their black-box nature poses significant challenges to interpretability, limiting their adoption in high-stakes applications. Shapley value-based feature attribution techniques, such as SHAP and kernel method-specific adaptation like RKHS-SHAP, offer a promising path toward explainability. Yet, computing exact Shapley values is generally intractable, leading existing methods to rely on approximations and thereby incur unavoidable error. In this work, we introduce PKeX-Shapley, a novel algorithm that utilizes the multiplicative structure of product kernels to enable the exact computation of Shapley values in polynomial time. The core of our approach is a new value function, the functional baseline value function, specifically designed for product-kernel models. This value function removes the influence of a feature subset by setting its functional component to the least informative state. Crucially, it allows a recursive thus efficient computation of Shapley values in polynomial time. As an important additional contribution, we show that our framework extends beyond predictive modeling to statistical inference. In particular, it generalizes to popular kernel-based discrepancy measures such as the Maximum Mean Discrepancy (MMD) and the Hilbert-Schmidt Independence Criterion (HSIC), thereby providing new tools for interpretable statistical inference.
A Hybrid Strategy for Probabilistic Forecasting and Trading of Aggregated Wind-Solar Power: Design and Analysis in HEFTCom2024
Pu, Chuanqing, Fan, Feilong, Tai, Nengling, Liu, Songyuan, Yu, Jinming
Obtaining accurate probabilistic energy forecasts and making effective decisions amid diverse uncertainties are routine challenges in future energy systems. This paper presents the winning solution of team GEB, which ranked 3rd in trading, 4th in forecasting, and 1st among student teams in the IEEE Hybrid Energy Forecasting and Trading Competition 2024 (HEFTCom2024). The solution provides accurate probabilistic forecasts for a wind-solar hybrid system, and achieves substantial trading revenue in the day-ahead electricity market. Key components include: (1) a stacking-based approach combining sister forecasts from various Numerical Weather Predictions (NWPs) to provide wind power forecasts, (2) an online solar post-processing model to address the distribution shift in the online test set caused by increased solar capacity, (3) a probabilistic aggregation method for accurate quantile forecasts of hybrid generation, and (4) a stochastic trading strategy to maximize expected trading revenue considering uncertainties in electricity prices. This paper also explores the potential of end-to-end learning to further enhance the trading revenue by shifting the distribution of forecast errors. Detailed case studies are provided to validate the effectiveness of these proposed methods. Code for all mentioned methods is available for reproduction and further research in both industry and academia.