KernelSHAP-IQ: Weighted Least-Square Optimization for Shapley Interactions

The Shapley value (SV) is a prevalent approach of allocating credit to machine learning (ML) entities to understand black box ML models. Enriching such interpretations with higher-order interactions is inevitable for complex systems, where the Shapley Interaction Index (SII) is a direct axiomatic extension of the SV. While it is well-known that the SV yields an optimal approximation of any game via a weighted least square (WLS) objective, an extension of this result to SII has been a long-standing open problem, which even led to the proposal of an alternative index. In this work, we characterize higher-order SII as a solution to a WLS problem, which constructs an optimal approximation via SII and $k$-Shapley values ($k$-SII). We prove this representation for the SV and pairwise SII and give empirically validated conjectures for higher orders. As a result, we propose KernelSHAP-IQ, a direct extension of KernelSHAP for SII, and demonstrate state-of-the-art performance for feature interactions.

Automated Federated Learning via Informed Pruning

Federated learning (FL) represents a pivotal shift in machine learning (ML) as it enables collaborative training of local ML models coordinated by a central aggregator, all without the need to exchange local data. However, its application on edge devices is hindered by limited computational capabilities and data communication challenges, compounded by the inherent complexity of Deep Learning (DL) models. Model pruning is identified as a key technique for compressing DL models on devices with limited resources. Nonetheless, conventional pruning techniques typically rely on manually crafted heuristics and demand human expertise to achieve a balance between model size, speed, and accuracy, often resulting in sub-optimal solutions. In this study, we introduce an automated federated learning approach utilizing informed pruning, called AutoFLIP, which dynamically prunes and compresses DL models within both the local clients and the global server. It leverages a federated loss exploration phase to investigate model gradient behavior across diverse datasets and losses, providing insights into parameter significance. Our experiments showcase notable enhancements in scenarios with strong non-IID data, underscoring AutoFLIP's capacity to tackle computational constraints and achieve superior global convergence.

Koopman-Based Surrogate Modelling of Turbulent Rayleigh-Bénard Convection

Several related works have introduced Koopman-based Machine Learning architectures as a surrogate model for dynamical systems. These architectures aim to learn non-linear measurements (also known as observables) of the system's state that evolve by a linear operator and are, therefore, amenable to model-based linear control techniques. So far, mainly simple systems have been targeted, and Koopman architectures as reduced-order models for more complex dynamics have not been fully explored. Hence, we use a Koopman-inspired architecture called the Linear Recurrent Autoencoder Network (LRAN) for learning reduced-order dynamics in convection flows of a Rayleigh B\'enard Convection (RBC) system at different amounts of turbulence. The data is obtained from direct numerical simulations of the RBC system. A traditional fluid dynamics method, the Kernel Dynamic Mode Decomposition (KDMD), is used to compare the LRAN. For both methods, we performed hyperparameter sweeps to identify optimal settings. We used a Normalized Sum of Square Error measure for the quantitative evaluation of the models, and we also studied the model predictions qualitatively. We obtained more accurate predictions with the LRAN than with KDMD in the most turbulent setting. We conjecture that this is due to the LRAN's flexibility in learning complicated observables from data, thereby serving as a viable surrogate model for the main structure of fluid dynamics in turbulent convection settings. In contrast, KDMD was more effective in lower turbulence settings due to the repetitiveness of the convection flow. The feasibility of Koopman-based surrogate models for turbulent fluid flows opens possibilities for efficient model-based control techniques useful in a variety of industrial settings.

FashionFail: Addressing Failure Cases in Fashion Object Detection and Segmentation

In the realm of fashion object detection and segmentation for online shopping images, existing state-of-the-art fashion parsing models encounter limitations, particularly when exposed to non-model-worn apparel and close-up shots. To address these failures, we introduce FashionFail; a new fashion dataset with e-commerce images for object detection and segmentation. The dataset is efficiently curated using our novel annotation tool that leverages recent foundation models. The primary objective of FashionFail is to serve as a test bed for evaluating the robustness of models. Our analysis reveals the shortcomings of leading models, such as Attribute-Mask R-CNN and Fashionformer. Additionally, we propose a baseline approach using naive data augmentation to mitigate common failure cases and improve model robustness. Through this work, we aim to inspire and support further research in fashion item detection and segmentation for industrial applications. The dataset, annotation tool, code, and models are available at \url{https://rizavelioglu.github.io/fashionfail/}.

Improving Line Search Methods for Large Scale Neural Network Training

In recent studies, line search methods have shown significant improvements in the performance of traditional stochastic gradient descent techniques, eliminating the need for a specific learning rate schedule. In this paper, we identify existing issues in state-of-the-art line search methods, propose enhancements, and rigorously evaluate their effectiveness. We test these methods on larger datasets and more complex data domains than before. Specifically, we improve the Armijo line search by integrating the momentum term from ADAM in its search direction, enabling efficient large-scale training, a task that was previously prone to failure using Armijo line search methods. Our optimization approach outperforms both the previous Armijo implementation and tuned learning rate schedules for Adam. Our evaluation focuses on Transformers and CNNs in the domains of NLP and image data. Our work is publicly available as a Python package, which provides a hyperparameter free Pytorch optimizer.

Faster Convergence for Transformer Fine-tuning with Line Search Methods

Recent works have shown that line search methods greatly increase performance of traditional stochastic gradient descent methods on a variety of datasets and architectures [1], [2]. In this work we succeed in extending line search methods to the novel and highly popular Transformer architecture and dataset domains in natural language processing. More specifically, we combine the Armijo line search with the Adam optimizer and extend it by subdividing the networks architecture into sensible units and perform the line search separately on these local units. Our optimization method outperforms the traditional Adam optimizer and achieves significant performance improvements for small data sets or small training budgets, while performing equal or better for other tested cases. Our work is publicly available as a python package, which provides a hyperparameter-free pytorch optimizer that is compatible with arbitrary network architectures.

Physics-Informed Graph Neural Networks for Water Distribution Systems

Water distribution systems (WDS) are an integral part of critical infrastructure which is pivotal to urban development. As 70% of the world's population will likely live in urban environments in 2050, efficient simulation and planning tools for WDS play a crucial role in reaching UN's sustainable developmental goal (SDG) 6 - "Clean water and sanitation for all". In this realm, we propose a novel and efficient machine learning emulator, more precisely, a physics-informed deep learning (DL) model, for hydraulic state estimation in WDS. Using a recursive approach, our model only needs a few graph convolutional neural network (GCN) layers and employs an innovative algorithm based on message passing. Unlike conventional machine learning tasks, the model uses hydraulic principles to infer two additional hydraulic state features in the process of reconstructing the available ground truth feature in an unsupervised manner. To the best of our knowledge, this is the first DL approach to emulate the popular hydraulic simulator EPANET, utilizing no additional information. Like most DL models and unlike the hydraulic simulator, our model demonstrates vastly faster emulation times that do not increase drastically with the size of the WDS. Moreover, we achieve high accuracy on the ground truth and very similar results compared to the hydraulic simulator as demonstrated through experiments on five real-world WDS datasets.

Intelligent Learning Rate Distribution to reduce Catastrophic Forgetting in Transformers

Pretraining language models on large text corpora is a common practice in natural language processing. Fine-tuning of these models is then performed to achieve the best results on a variety of tasks. In this paper, we investigate the problem of catastrophic forgetting in transformer neural networks and question the common practice of fine-tuning with a flat learning rate for the entire network in this context. We perform a hyperparameter optimization process to find learning rate distributions that are better than a flat learning rate. We combine the learning rate distributions thus found and show that they generalize to better performance with respect to the problem of catastrophic forgetting. We validate these learning rate distributions with a variety of NLP benchmarks from the GLUE dataset.

Debiasing Sentence Embedders through Contrastive Word Pairs

Over the last years, various sentence embedders have been an integral part in the success of current machine learning approaches to Natural Language Processing (NLP). Unfortunately, multiple sources have shown that the bias, inherent in the datasets upon which these embedding methods are trained, is learned by them. A variety of different approaches to remove biases in embeddings exists in the literature. Most of these approaches are applicable to word embeddings and in fewer cases to sentence embeddings. It is problematic that most debiasing approaches are directly transferred from word embeddings, therefore these approaches fail to take into account the nonlinear nature of sentence embedders and the embeddings they produce. It has been shown in literature that bias information is still present if sentence embeddings are debiased using such methods. In this contribution, we explore an approach to remove linear and nonlinear bias information for NLP solutions, without impacting downstream performance. We compare our approach to common debiasing methods on classical bias metrics and on bias metrics which take nonlinear information into account.

Neural Architecture Search for Sentence Classification with BERT

Pre training of language models on large text corpora is common practice in Natural Language Processing. Following, fine tuning of these models is performed to achieve the best results on a variety of tasks. In this paper we question the common practice of only adding a single output layer as a classification head on top of the network. We perform an AutoML search to find architectures that outperform the current single layer at only a small compute cost. We validate our classification architecture on a variety of NLP benchmarks from the GLUE dataset.