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Uncertainty quantification is a central challenge in reliable and trustworthy machine learning. Naive measures such as last-layer scores are well-known to yield overconfident estimates in the context of overparametrized neural networks.…

Machine Learning · Computer Science 2023-05-24 Lucas Clarté , Bruno Loureiro , Florent Krzakala , Lenka Zdeborová

Parameterized artificial neural networks (ANNs) can be very expressive ansatzes for variational algorithms, reaching state-of-the-art energies on many quantum many-body Hamiltonians. Nevertheless, the training of the ANN can be slow and…

Quantum Physics · Physics 2025-06-04 Conor Smith , Quinn T. Campbell , Tameem Albash

The recent paper by Byrd & Lipton (2019), based on empirical observations, raises a major concern on the impact of importance weighting for the over-parameterized deep learning models. They observe that as long as the model can separate the…

Machine Learning · Computer Science 2021-03-30 Da Xu , Yuting Ye , Chuanwei Ruan

Tempered stable distributions are frequently used in financial applications (e.g., for option pricing) in which the tails of stable distributions would be too heavy. Given the non-explicit form of the probability density function,…

Statistics Theory · Mathematics 2024-07-08 Till Massing

The softmax function is a fundamental component in deep learning. This study delves into the often-overlooked parameter within the softmax function, known as "temperature," providing novel insights into the practical and theoretical aspects…

Machine Learning · Computer Science 2025-03-03 Hao Xuan , Bokai Yang , Xingyu Li

Proper losses such as cross-entropy incentivize classifiers to produce class probabilities that are well-calibrated on the training data. Due to the generalization gap, these classifiers tend to become overconfident on the test data,…

Machine Learning · Computer Science 2025-08-27 Viacheslav Komisarenko , Meelis Kull

Bias in datasets can be very detrimental for appropriate statistical estimation. In response to this problem, importance weighting methods have been developed to match any biased distribution to its corresponding target unbiased…

Machine Learning · Computer Science 2022-09-12 Antoine de Mathelin , Francois Deheeger , Mathilde Mougeot , Nicolas Vayatis

Modern machine learning models are prone to over-reliance on spurious correlations, which can often lead to poor performance on minority groups. In this paper, we identify surprising and nuanced behavior of finetuned models on worst-group…

Machine Learning · Computer Science 2024-10-29 Tyler LaBonte , John C. Hill , Xinchen Zhang , Vidya Muthukumar , Abhishek Kumar

Simulated and parallel tempering are families of Markov Chain Monte Carlo algorithms where a temperature parameter is varied during the simulation to overcome bottlenecks to convergence due to multimodality. In this work we introduce and…

Discrete Mathematics · Computer Science 2016-07-20 Nayantara Bhatnagar , Dana Randall

Diversity is an essential metric for evaluating the creativity of outputs generated by language models. Temperature-based sampling is a common strategy to increase diversity. However, for tasks that require high precision, e.g.,…

Machine Learning · Computer Science 2025-10-03 Sergey Troshin , Wafaa Mohammed , Yan Meng , Christof Monz , Antske Fokkens , Vlad Niculae

Many machine learning models appear to deploy effortlessly under distribution shift, and perform well on a target distribution that is considerably different from the training distribution. Yet, learning theory of distribution shift bounds…

Machine Learning · Computer Science 2024-05-30 Robi Bhattacharjee , Nick Rittler , Kamalika Chaudhuri

Importance sampling is a central idea underlying off-policy prediction in reinforcement learning. It provides a strategy for re-weighting samples from a distribution to obtain unbiased estimates under another distribution. However,…

Machine Learning · Computer Science 2023-06-28 Kristopher De Asis , Eric Graves , Richard S. Sutton

Probabilistic classifiers output a probability distribution on target classes rather than just a class prediction. Besides providing a clear separation of prediction and decision making, the main advantage of probabilistic models is their…

Machine Learning · Computer Science 2019-02-20 Juozas Vaicenavicius , David Widmann , Carl Andersson , Fredrik Lindsten , Jacob Roll , Thomas B. Schön

Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is…

Machine Learning · Computer Science 2025-06-17 Weihua Du , Yiming Yang , Sean Welleck

Discrimination and calibration represent two important properties of survival analysis, with the former assessing the model's ability to accurately rank subjects and the latter evaluating the alignment of predicted outcomes with actual…

Machine Learning · Computer Science 2024-06-04 Shi-ang Qi , Yakun Yu , Russell Greiner

Importance-weighted risk minimization is a key ingredient in many machine learning algorithms for causal inference, domain adaptation, class imbalance, and off-policy reinforcement learning. While the effect of importance weighting is…

Machine Learning · Computer Science 2019-06-17 Jonathon Byrd , Zachary C. Lipton

High complexity models are notorious in machine learning for overfitting, a phenomenon in which models well represent data but fail to generalize an underlying data generating process. A typical procedure for circumventing overfitting…

Machine Learning · Statistics 2025-03-11 James Schmidt

Parallel tempering is popular method for allowing MCMC algorithms to properly explore a $d$-dimensional multimodal target density. One problem with traditional power-based parallel tempering for multimodal targets is that the proportion of…

Computation · Statistics 2018-10-16 Nicholas G. Tawn , Gareth O. Roberts

Conformal prediction is an emerging technique for uncertainty quantification that constructs prediction sets guaranteed to contain the true label with a predefined probability. Previous works often employ temperature scaling to calibrate…

Machine Learning · Computer Science 2024-12-24 Huajun Xi , Jianguo Huang , Kangdao Liu , Lei Feng , Hongxin Wei

Many classification applications require accurate probability estimates in addition to good class separation but often classifiers are designed focusing only on the latter. Calibration is the process of improving probability estimates by…

Machine Learning · Computer Science 2020-01-31 Tuomo Alasalmi , Jaakko Suutala , Heli Koskimäki , Juha Röning