Prabhant Singh

Prabhant Singh, Joaquin Vanschoren

Automated machine learning has been widely researched and adopted in the field of supervised classification and regression, but progress in unsupervised settings has been limited. We propose a novel approach to automate outlier detection based on meta-learning from previous datasets with outliers. Our premise is that the selection of the optimal outlier detection technique depends on the inherent properties of the data distribution. We leverage optimal transport in particular, to find the dataset with the most similar underlying distribution, and then apply the outlier detection techniques that proved to work best for that data distribution. We evaluate the robustness of our approach and find that it outperforms the state of the art methods in unsupervised outlier detection. This approach can also be easily generalized to automate other unsupervised settings.

Prabhant Singh, Joaquin Vanschoren

Automated Machine Learning has grown very successful in automating the time-consuming, iterative tasks of machine learning model development. However, current methods struggle when the data is imbalanced. Since many real-world datasets are naturally imbalanced, and improper handling of this issue can lead to quite useless models, this issue should be handled carefully. This paper first introduces a new benchmark to study how different AutoML methods are affected by label imbalance. Second, we propose strategies to better deal with imbalance and integrate them into an existing AutoML framework. Finally, we present a systematic study which evaluates the impact of these strategies and find that their inclusion in AutoML systems significantly increases their robustness against label imbalance.

Dovile Juodelyte, Enzo Ferrante, Yucheng Lu et al.

Current transferability estimation methods designed for natural image datasets are often suboptimal in medical image classification. These methods primarily focus on estimating the suitability of pre-trained source model features for a target dataset, which can lead to unrealistic predictions, such as suggesting that the target dataset is the best source for itself. To address this, we propose a novel transferability metric that combines feature quality with gradients to evaluate both the suitability and adaptability of source model features for target tasks. We evaluate our approach in two new scenarios: source dataset transferability for medical image classification and cross-domain transferability. Our results show that our method outperforms existing transferability metrics in both settings. We also provide insight into the factors influencing transfer performance in medical image classification, as well as the dynamics of cross-domain transfer from natural to medical images. Additionally, we provide ground-truth transfer performance benchmarking results to encourage further research into transferability estimation for medical image classification. Our code and experiments are available at https://github.com/DovileDo/transferability-in-medical-imaging.

Prabhant Singh, Joaquin Vanschoren

Neural Architecture Search (NAS) methods have been shown to outperform hand-designed models and help to democratize AI. However, NAS methods often start from scratch with each new task, making them computationally expensive and limiting their applicability. Transfer learning is a practical alternative with the rise of ever-larger pretrained models. However, it is also bound to the architecture of the pretrained model, which inhibits proper adaptation of the architecture to different tasks, leading to suboptimal (and excessively large) models. We address both challenges at once by introducing a novel and practical method to \textit{transfer supernets}, which parameterize both weight and architecture priors, and efficiently finetune both to new tasks. This enables supernet transfer learning as a replacement for traditional transfer learning that also finetunes model architectures to new tasks. Through extensive experiments across multiple image classification tasks, we demonstrate that supernet transfer learning does not only drastically speed up the discovery of optimal models (3 to 5 times faster on average), but will also find better models than running NAS from scratch. The added model flexibility also increases the robustness of transfer learning, yielding positive transfer to even very different target datasets, especially with multi-dataset pretraining.

Prabhant Singh, Pieter Gijsbers, Murat Onur Yildirim et al.

We propose an AutoML system that enables model selection on clustering problems by leveraging optimal transport-based dataset similarity. Our objective is to establish a comprehensive AutoML pipeline for clustering problems and provide recommendations for selecting the most suitable algorithms, thus opening up a new area of AutoML beyond the traditional supervised learning settings. We compare our results against multiple clustering baselines and find that it outperforms all of them, hence demonstrating the utility of similarity-based automated model selection for solving clustering applications.

Prabhant Singh, Yiping Li, Yasmina Al Khalil

Fine-tuning pre-trained models has become a cornerstone of modern machine learning, allowing practitioners to achieve high performance with limited labeled data. In surgical video analysis, where expert annotations are especially time-consuming and costly, identifying the most suitable pre-trained model for a downstream task is both critical and challenging. Source-independent transferability estimation (SITE) offers a solution by predicting how well a model will fine-tune on target data using only its embeddings or outputs, without requiring full retraining. In this work, we formalize SITE for surgical phase recognition and provide the first comprehensive benchmark of three representative metrics, LogME, H-Score, and TransRate, on two diverse datasets (RAMIE and AutoLaparo). Our results show that LogME, particularly when aggregated by the minimum per-subset score, aligns most closely with fine-tuning accuracy; H-Score yields only weak predictive power; and TransRate often inverses true model rankings. Ablation studies show that when candidate models have similar performances, transferability estimates lose discriminative power, emphasizing the importance of maintaining model diversity or using additional validation. We conclude with practical guidelines for model selection and outline future directions toward domain-specific metrics, theoretical foundations, and interactive benchmarking tools.

Prabhant Singh, Pieter Gijsbers, Elif Ceren Gok Yildirim et al.

In this work, we present LOTUS (Learning to Learn with Optimal Transport for Unsupervised Scenarios), a simple yet effective method to perform model selection for multiple unsupervised machine learning(ML) tasks such as outlier detection and clustering. Our intuition behind this work is that a machine learning pipeline will perform well in a new dataset if it previously worked well on datasets with a similar underlying data distribution. We use Optimal Transport distances to find this similarity between unlabeled tabular datasets and recommend machine learning pipelines with one unified single method on two downstream unsupervised tasks: outlier detection and clustering. We present the effectiveness of our approach with experiments against strong baselines and show that LOTUS is a very promising first step toward model selection for multiple unsupervised ML tasks.

Prabhant Singh, Sibylle Hess, Joaquin Vanschoren

Transferability estimation metrics are used to find a high-performing pre-trained model for a given target task without fine-tuning models and without access to the source dataset. Despite the growing interest in developing such metrics, the benchmarks used to measure their progress have gone largely unexamined. In this work, we empirically show the shortcomings of widely used benchmark setups to evaluate transferability estimation metrics. We argue that the benchmarks on which these metrics are evaluated are fundamentally flawed. We empirically demonstrate that their unrealistic model spaces and static performance hierarchies artificially inflate the perceived performance of existing metrics, to the point where simple, dataset-agnostic heuristics can outperform sophisticated methods. Our analysis reveals a critical disconnect between current evaluation protocols and the complexities of real-world model selection. To address this, we provide concrete recommendations for constructing more robust and realistic benchmarks to guide future research in a more meaningful direction.

Lorenzo Braccaioli, Anna Vettoruzzo, Prabhant Singh et al.

In-context learning enables transformer models to generalize to new tasks based solely on input prompts, without any need for weight updates. However, existing training paradigms typically rely on large, unstructured datasets that are costly to store, difficult to evaluate for quality and balance, and pose privacy and ethical concerns due to the inclusion of sensitive information. Motivated by these limitations and risks, we propose an alternative training strategy where we leverage a collection of multiple, small-scale, and domain-specific datasets. We empirically demonstrate that the increased quality and diversity of such data improve the generalization abilities of in-context learners beyond their training domain, while achieving comparable performance with models trained on a single large-scale dataset. We investigate this paradigm by leveraging meta-learning to train an in-context learner on the Meta-Album collection under several settings. Firstly, we show the performance in a controlled environment, where the test domain is completely excluded from the training knowledge. Secondly, we explore the robustness of these models to forgetting in a continual scenario where the information is accessible for a limited time. Finally, we explore the more challenging unsupervised scenario. Our findings demonstrate that transformers still generalize for in-context prediction when trained on a curated dataset collection while offering advantages in modularity and replaceability.

Prabhant Singh, Sibylle Hess, Joaquin Vanschoren

Fine-tuning models that have been pre-trained on large datasets has become a cornerstone of modern machine learning workflows. With the widespread availability of online model repositories, such as Hugging Face, it is now easier than ever to fine-tune pre-trained models for specific tasks. This raises a critical question: which pre-trained model is most suitable for a given task? This problem is called transferability estimation. In this work, we introduce two novel and effective metrics for estimating the transferability of pre-trained models. Our approach is grounded in viewing transferability as a measure of how easily a pre-trained model's representations can be trained to separate target classes, providing a unique perspective on transferability estimation. We rigorously evaluate the proposed metrics against state-of-the-art alternatives across diverse problem settings, demonstrating their robustness and practical utility. Additionally, we present theoretical insights that explain our metrics' efficacy and adaptability to various scenarios. We experimentally show that our metrics increase Kendall's Tau by up to 32% compared to the state-of-the-art baselines.

Bilge Celik, Prabhant Singh, Joaquin Vanschoren

Automated Machine Learning (AutoML) has been used successfully in settings where the learning task is assumed to be static. In many real-world scenarios, however, the data distribution will evolve over time, and it is yet to be shown whether AutoML techniques can effectively design online pipelines in dynamic environments. This study aims to automate pipeline design for online learning while continuously adapting to data drift. For this purpose, we design an adaptive Online Automated Machine Learning (OAML) system, searching the complete pipeline configuration space of online learners, including preprocessing algorithms and ensembling techniques. This system combines the inherent adaptation capabilities of online learners with the fast automated pipeline (re)optimization capabilities of AutoML. Focusing on optimization techniques that can adapt to evolving objectives, we evaluate asynchronous genetic programming and asynchronous successive halving to optimize these pipelines continually. We experiment on real and artificial data streams with varying types of concept drift to test the performance and adaptation capabilities of the proposed system. The results confirm the utility of OAML over popular online learning algorithms and underscore the benefits of continuous pipeline redesign in the presence of data drift.

Prabhant Singh, Tobias Jacobs, Sebastien Nicolas et al.

In neural architecture search, the structure of the neural network to best model a given dataset is determined by an automated search process. Efficient Neural Architecture Search (ENAS), proposed by Pham et al. (2018), has recently received considerable attention due to its ability to find excellent architectures within a comparably short search time. In this work, which is motivated by the quest to further improve the learning speed of architecture search, we evaluate the learning progress of the controller which generates the architectures in ENAS. We measure the progress by comparing the architectures generated by it at different controller training epochs, where architectures are evaluated after having re-trained them from scratch. As a surprising result, we find that the learning curves are completely flat, i.e., there is no observable progress of the controller in terms of the performance of its generated architectures. This observation is consistent across the CIFAR-10 and CIFAR-100 datasets and two different search spaces. We conclude that the high quality of the models generated by ENAS is a result of the search space design rather than the controller training, and our results indicate that one-shot architecture design is an efficient alternative to architecture search by ENAS.