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 Regression


Structured Matrix Scaling for Multi-Class Calibration

arXiv.org Artificial Intelligence

Post-hoc recalibration methods are widely used to ensure that classifiers provide faithful probability estimates. We argue that parametric recalibration functions based on logistic regression can be motivated from a simple theoretical setting for both binary and multiclass classification. This insight motivates the use of more expressive calibration methods beyond standard temperature scaling. For multi-class calibration however, a key challenge lies in the increasing number of parameters introduced by more complex models, often coupled with limited calibration data, which can lead to overfitting. Through extensive experiments, we demonstrate that the resulting bias-variance tradeoff can be effectively managed by structured regularization, robust preprocessing and efficient optimization. The resulting methods lead to substantial gains over existing logistic-based calibration techniques. We provide efficient and easy-to-use open-source implementations of our methods, making them an attractive alternative to common temperature, vector, and matrix scaling implementations.


Beyond Citations: Measuring Idea-level Knowledge Diffusion from Research to Journalism and Policy-making

arXiv.org Artificial Intelligence

Despite the importance of social science knowledge for various stakeholders, measuring its diffusion into different domains remains a challenge. This study uses a novel text-based approach to measure the idea-level diffusion of social science knowledge from the research domain to the journalism and policy-making domains. By doing so, we expand the detection of knowledge diffusion beyond the measurements of direct references. Our study focuses on media effects theories as key research ideas in the field of communication science. Using 72,703 documents (2000-2019) from three domains (i.e., research, journalism, and policy-making) that mention these ideas, we count the mentions of these ideas in each domain, estimate their domain-specific contexts, and track and compare differences across domains and over time. Overall, we find that diffusion patterns and dynamics vary considerably between ideas, with some ideas diffusing between other domains, while others do not. Based on the embedding regression approach, we compare contextualized meanings across domains and find that the distances between research and policy are typically larger than between research and journalism. We also find that ideas largely shift roles across domains - from being the theories themselves in research to sense-making in news to applied, administrative use in policy. Over time, we observe semantic convergence mainly for ideas that are practically oriented. Our results characterize the cross-domain diffusion patterns and dynamics of social science knowledge at the idea level, and we discuss the implications for measuring knowledge diffusion beyond citations.


Vector-valued self-normalized concentration inequalities beyond sub-Gaussianity

arXiv.org Machine Learning

The study of self-normalized processes plays a crucial role in a wide range of applications, from sequential decision-making to econometrics. While the behavior of self-normalized concentration has been widely investigated for scalar-valued processes, vector-valued processes remain comparatively underexplored, especially outside of the sub-Gaussian framework. In this contribution, we provide concentration bounds for self-normalized processes with light tails beyond sub-Gaussianity (such as Bennett or Bernstein bounds). We illustrate the relevance of our results in the context of online linear regression, with applications in (kernelized) linear bandits.


Using latent representations to link disjoint longitudinal data for mixed-effects regression

arXiv.org Machine Learning

Many rare diseases offer limited established treatment options, leading patients to switch therapies when new medications emerge. To analyze the impact of such treatment switches within the low sample size limitations of rare disease trials, it is important to use all available data sources. This, however, is complicated when usage of measurement instruments change during the observation period, for example when instruments are adapted to specific age ranges. The resulting disjoint longitudinal data trajectories, complicate the application of traditional modeling approaches like mixed-effects regression. We tackle this by mapping observations of each instrument to a aligned low-dimensional temporal trajectory, enabling longitudinal modeling across instruments. Specifically, we employ a set of variational autoencoder architectures to embed item values into a shared latent space for each time point. Temporal disease dynamics and treatment switch effects are then captured through a mixed-effects regression model applied to latent representations. To enable statistical inference, we present a novel statistical testing approach that accounts for the joint parameter estimation of mixed-effects regression and variational autoencoders. The methodology is applied to quantify the impact of treatment switches for patients with spinal muscular atrophy. Here, our approach aligns motor performance items from different measurement instruments for mixed-effects regression and maps estimated effects back to the observed item level to quantify the treatment switch effect. Our approach allows for model selection as well as for assessing effects of treatment switching. The results highlight the potential of modeling in joint latent representations for addressing small data challenges.


Generalisation Bounds of Zero-Shot Economic Forecasting using Time Series Foundation Models

arXiv.org Artificial Intelligence

This study investigates zero-shot forecasting capabilities of Time Series Foundation Models (TSFMs) for macroeconomic indicators. We apply TSFMs to forecasting economic indicators under univariate conditions, bypassing the need for train bespoke econometric models using and extensive training datasets. Our experiments were conducted on a case study dataset, without additional customisation. We rigorously back-tested three state-of-the-art TSFMs (Chronos, TimeGPT and Moirai) under data-scarce conditions and structural breaks. Our results demonstrate that appropriately engineered TSFMs can internalise rich economic dynamics, accommodate regime shifts, and deliver well-behaved uncertainty estimates out of the box, while matching state-of-the-art multivariate models on this domain. Our findings suggest that, without any fine-tuning, TSFMs can match or exceed classical models during stable economic conditions. However, they are vulnerable to degradation in performances during periods of rapid shocks. The findings offer guidance to practitioners on when zero-shot deployments are viable for macroeconomic monitoring and strategic planning.


AI Diffusion in Low Resource Language Countries

arXiv.org Artificial Intelligence

Artificial intelligence (AI) is diffusing globally at unprecedented speed, but adoption remains uneven. Frontier Large Language Models (LLMs) are known to perform poorly on low-resource languages due to data scarcity. We hypothesize that this performance deficit reduces the utility of AI, thereby slowing adoption in Low-Resource Language Countries (LRLCs). To test this, we use a weighted regression model to isolate the language effect from socioeconomic and demographic factors, finding that LRLCs have a share of AI users that is approximately 20% lower relative to their baseline. These results indicate that linguistic accessibility is a significant, independent barrier to equitable AI diffusion.


A Stable Lasso

arXiv.org Machine Learning

The Lasso has been widely used as a method for variable selection, valued for its simplicity and empirical performance. However, Lasso's selection stability deteriorates in the presence of correlated predictors. Several approaches have been developed to mitigate this limitation. In this paper, we provide a brief review of existing approaches, highlighting their limitations. We then propose a simple technique to improve the selection stability of Lasso by integrating a weighting scheme into the Lasso penalty function, where the weights are defined as an increasing function of a correlation-adjusted ranking that reflects the predictive power of predictors. Empirical evaluations on both simulated and real-world datasets demonstrate the efficacy of the proposed method. Additional numerical results demonstrate the effectiveness of the proposed approach in stabilizing other regularization-based selection methods, indicating its potential as a general-purpose solution.


Transfer learning discovery of molecular modulators for perovskite solar cells

arXiv.org Artificial Intelligence

The discovery of effective molecular modulators is essential for advancing perovskite solar cells (PSCs), but the research process is hindered by the vastness of chemical space and the time-consuming and expensive trial-and-error experimental screening. Concurrently, machine learning (ML) offers significant potential for accelerating materials discovery. However, applying ML to PSCs remains a major challenge due to data scarcity and limitations of traditional quantitative structure-property relationship (QSPR) models. Here, we apply a chemical informed transfer learning framework based on pre-trained deep neural networks, which achieves high accuracy in predicting the molecular modulator's effect on the power conversion efficiency (PCE) of PSCs. This framework is established through systematical benchmarking of diverse molecular representations, enabling lowcost and high-throughput virtual screening over 79,043 commercially available molecules. Furthermore, we leverage interpretability techniques to visualize the learned chemical representation and experimentally characterize the resulting modulator-perovskite interactions. The top molecular modulators identified by the framework are subsequently validated experimentally, delivering a remarkably improved champion PCE of 26.91% in PSCs.


Application of predictive machine learning in pen & paper RPG game design

arXiv.org Artificial Intelligence

In recent years, the pen and paper RPG market has experienced significant growth. As a result, companies are increasingly exploring the integration of AI technologies to enhance player experience and gain a competitive edge. One of the key challenges faced by publishers is designing new opponents and estimating their challenge level. Currently, there are no automated methods for determining a monster's level; the only approaches used are based on manual testing and expert evaluation. Although these manual methods can provide reasonably accurate estimates, they are time-consuming and resource-intensive. Level prediction can be approached using ordinal regression techniques. This thesis presents an overview and evaluation of state-of-the-art methods for this task. It also details the construction of a dedicated dataset for level estimation. Furthermore, a human-inspired model was developed to serve as a benchmark, allowing comparison between machine learning algorithms and the approach typically employed by pen and paper RPG publishers. In addition, a specialized evaluation procedure, grounded in domain knowledge, was designed to assess model performance and facilitate meaningful comparisons.


Black-Box Differentially Private Nonparametric Confidence Intervals Under Minimal Assumptions

arXiv.org Artificial Intelligence

We introduce a simple, general framework that takes any differentially private estimator of any arbitrary quantity as a black box, and from it constructs a differentially private nonparametric confidence interval of that quantity. Our approach repeatedly subsamples the data, applies the private estimator to each subsample, and then post-processes the resulting empirical CDF to a confidence interval. Our analysis uses the randomness from the subsampling to achieve privacy amplification. Under mild assumptions, the empirical CDF we obtain approaches the CDF of the private statistic as the sample size grows. We use this to show that the confidence intervals we estimate are asymptotically valid, tight, and equivalent to their non-private counterparts. We provide empirical evidence that our method performs well compared with the (less-general) state-of-the-art algorithms.