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How Transformers Utilize Multi-Head Attention in In-Context Learning? A Case Study on Sparse Linear Regression

Neural Information Processing Systems

Despite the remarkable success of transformer-based models in various real-world tasks, their underlying mechanisms remain poorly understood. Recent studies have suggested that transformers can implement gradient descent as an in-context learner for linear regression problems and have developed various theoretical analyses accordingly. However, these works mostly focus on the expressive power of transformers by designing specific parameter constructions, lacking a comprehensive understanding of their inherent working mechanisms post-training. In this study, we consider a sparse linear regression problem and investigate how a trained multi-head transformer performs in-context learning. We experimentally discover that the utilization of multi-heads exhibits different patterns across layers: multiple heads are utilized and essential in the first layer, while usually only a single head is sufficient for subsequent layers. We provide a theoretical explanation for this observation: the first layer preprocesses the context data, and the following layers execute simple optimization steps based on the preprocessed context. Moreover, we demonstrate that such a preprocess-then-optimize algorithm can significantly outperform naive gradient descent and ridge regression algorithms. Further experimental results support our explanations. Our findings offer insights into the benefits of multi-head attention and contribute to understanding the more intricate mechanisms hidden within trained transformers.


HYDRA-FL: Hybrid Knowledge Distillation for Robust and Accurate Federated Learning

Neural Information Processing Systems

Data heterogeneity among Federated Learning (FL) users poses a significant challenge, resulting in reduced global model performance. The community has designed various techniques to tackle this issue, among which Knowledge Distillation (KD)-based techniques are common. While these techniques effectively improve performance under high heterogeneity, they inadvertently cause higher accuracy degradation under model poisoning attacks (known as \emph{attack amplification}). This paper presents a case study to reveal this critical vulnerability in KD-based FL systems. We show why KD causes this issue through empirical evidence and use it as motivation to design a hybrid distillation technique. We introduce a novel algorithm, Hybrid Knowledge Distillation for Robust and Accurate FL (HYDRA-FL), which reduces the impact of attacks in attack scenarios by offloading some of the KD loss to a shallow layer via an auxiliary classifier. We model HYDRA-FL as a generic framework and adapt it to two KD-based FL algorithms, FedNTD and MOON. Using these two as case studies, we demonstrate that our technique outperforms baselines in attack settings while maintaining comparable performance in benign settings.


Closing the loop in medical decision support by understanding clinical decision-making: A case study on organ transplantation

Neural Information Processing Systems

Significant effort has been placed on developing decision support tools to improve patient care. However, drivers of real-world clinical decisions in complex medical scenarios are not yet well-understood, resulting in substantial gaps between these tools and practical applications. In light of this, we highlight that more attention on understanding clinical decision-making is required both to elucidate current clinical practices and to enable effective human-machine interactions. This is imperative in high-stakes scenarios with scarce available resources.


meval: A Statistical Toolbox for Fine-Grained Model Performance Analysis

Sutariya, Dishantkumar, Petersen, Eike

arXiv.org Machine Learning

Analyzing machine learning model performance stratified by patient and recording properties is becoming the accepted norm and often yields crucial insights about important model failure modes. Performing such analyses in a statistically rigorous manner is non-trivial, however. Appropriate performance metrics must be selected that allow for valid comparisons between groups of different sample sizes and base rates; metric uncertainty must be determined and multiple comparisons be corrected for, in order to assess whether any observed differences may be purely due to chance; and in the case of intersectional analyses, mechanisms must be implemented to find the most `interesting' subgroups within combinatorially many subgroup combinations. We here present a statistical toolbox that addresses these challenges and enables practitioners to easily yet rigorously assess their models for potential subgroup performance disparities. While broadly applicable, the toolbox is specifically designed for medical imaging applications. The analyses provided by the toolbox are illustrated in two case studies, one in skin lesion malignancy classification on the ISIC2020 dataset and one in chest X-ray-based disease classification on the MIMIC-CXR dataset.


Improving the Accuracy of Amortized Model Comparison with Self-Consistency

Kucharský, Šimon, Mishra, Aayush, Habermann, Daniel, Radev, Stefan T., Bürkner, Paul-Christian

arXiv.org Machine Learning

Amortized Bayesian inference (ABI) offers fast, scalable approximations to posterior densities by training neural surrogates on data simulated from the statistical model. However, ABI methods are highly sensitive to model misspecification: when observed data fall outside the training distribution (generative scope of the statistical models), neural surrogates can behave unpredictably. This makes it a challenge in a model comparison setting, where multiple statistical models are considered, of which at least some are misspecified. Recent work on self-consistency (SC) provides a promising remedy to this issue, accessible even for empirical data (without ground-truth labels). In this work, we investigate how SC can improve amortized model comparison conceptualized in four different ways. Across two synthetic and two real-world case studies, we find that approaches for model comparison that estimate marginal likelihoods through approximate parameter posteriors consistently outperform methods that directly approximate model evidence or posterior model probabilities. SC training improves robustness when the likelihood is available, even under severe model misspecification. The benefits of SC for methods without access of analytic likelihoods are more limited and inconsistent. Our results suggest practical guidance for reliable amortized Bayesian model comparison: prefer parameter posterior-based methods and augment them with SC training on empirical datasets to mitigate extrapolation bias under model misspecification.


Near-real time fires detection using satellite imagery in Sudan conflict

Atwal, Kuldip Singh, Pfoser, Dieter, Rothbart, Daniel

arXiv.org Artificial Intelligence

The challenges of ongoing war in Sudan highlight the need for rapid monitoring and analysis of such conflicts. Advances in deep learning and readily available satellite remote sensing imagery allow for near real-time monitoring. This paper uses 4-band imagery from Planet Labs with a deep learning model to show that fire damage in armed conflicts can be monitored with minimal delay. We demonstrate the effectiveness of our approach using five case studies in Sudan. We show that, compared to a baseline, the automated method captures the active fires and charred areas more accurately. Our results indicate that using 8-band imagery or time series of such imagery only result in marginal gains. Keywords: 1. Introduction The ongoing armed conflict in Sudan began in April 2023.


An Empirical Framework for Evaluating Semantic Preservation Using Hugging Face

Jia, Nan, Raja, Anita, Khatchadourian, Raffi

arXiv.org Artificial Intelligence

As machine learning (ML) becomes an integral part of high-autonomy systems, it is critical to ensure the trustworthiness of learning-enabled software systems (LESS). Yet, the nondeterministic and run-time-defined semantics of ML complicate traditional software refactoring. We define semantic preservation in LESS as the property that optimizations of intelligent components do not alter the system's overall functional behavior. This paper introduces an empirical framework to evaluate semantic preservation in LESS by mining model evolution data from HuggingFace. We extract commit histories, $\textit{Model Cards}$, and performance metrics from a large number of models. To establish baselines, we conducted case studies in three domains, tracing performance changes across versions. Our analysis demonstrates how $\textit{semantic drift}$ can be detected via evaluation metrics across commits and reveals common refactoring patterns based on commit message analysis. Although API constraints limited the possibility of estimating a full-scale threshold, our pipeline offers a foundation for defining community-accepted boundaries for semantic preservation. Our contributions include: (1) a large-scale dataset of ML model evolution, curated from 1.7 million Hugging Face entries via a reproducible pipeline using the native HF hub API, (2) a practical pipeline for the evaluation of semantic preservation for a subset of 536 models and 4000+ metrics and (3) empirical case studies illustrating semantic drift in practice. Together, these contributions advance the foundations for more maintainable and trustworthy ML systems.