Machine Learning (ML) has gained popularity in actuarial research and insurance industrial applications. However, the performance of most ML tasks heavily depends on data preprocessing, model selection, and hyperparameter optimization, which are considered to be intensive in terms of domain knowledge, experience, and manual labor. Automated Machine Learning (AutoML) aims to automatically complete the full life-cycle of ML tasks and provides state-of-the-art ML models without human intervention or supervision. This paper introduces an AutoML workflow that allows users without domain knowledge or prior experience to achieve robust and effortless ML deployment by writing only a few lines of code. This proposed AutoML is specifically tailored for the insurance application, with features like the balancing step in data preprocessing, ensemble pipelines, and customized loss functions. These features are designed to address the unique challenges of the insurance domain, including the imbalanced nature of common insurance datasets. The full code and documentation are available on the GitHub repository. (https://github.com/PanyiDong/InsurAutoML)
Federated Learning (FL) offers a promising approach for collaborative machine learning across distributed devices. However, its adoption is hindered by the complexity of building reliable communication architectures and the need for expertise in both machine learning and network programming. This paper presents a comprehensive solution that simplifies the orchestration of FL tasks while integrating intent-based automation. We develop a user-friendly web application supporting the federated averaging (FedAvg) algorithm, enabling users to configure parameters through an intuitive interface. The backend solution efficiently manages communication between the parameter server and edge nodes. We also implement model compression and scheduling algorithms to optimize FL performance. Furthermore, we explore intent-based automation in FL using a fine-tuned Language Model (LLM) trained on a tailored dataset, allowing users to conduct FL tasks using high-level prompts. We observe that the LLM-based automated solution achieves comparable test accuracy to the standard web-based solution while reducing transferred bytes by up to 64% and CPU time by up to 46% for FL tasks. Also, we leverage the neural architecture search (NAS) and hyperparameter optimization (HPO) using LLM to improve the performance. We observe that by using this approach test accuracy can be improved by 10-20% for the carried out FL tasks.
Large Language Models (LLMs) are driving advancements in artificial intelligence by increasing the scale of model parameters, which has significantly enhanced generalization ability and unlocked new capabilities in practice. However, their performance in specific downstream tasks is usually hindered by their knowledge boundaries on these tasks. Thus, fine-tuning techniques, especially the widely used Low-Rank Adaptation (LoRA) method, have been introduced to expand the boundaries on these tasks, whereas LoRA would underperform on certain tasks owing to its potential overfitting on these tasks. To overcome this overfitting and improve the performance of LoRA, we propose the flexible low rank adaptation (Flexora) method to automatically and flexibly select the most important layers needing to be fine-tuned to achieve the best performance on different downstream tasks. Specifically, Flexora firstly frames this layer selection problem as a well-defined hyperparameter optimization (HPO) problem, then addresses it using the unrolled differentiation (UD) method, and finally selects the most useful layers based on the optimized hyperparameters. Our extensive experiments on many pretrained models and natural language tasks show that Flexora is able to consistently improve over the existing baselines, indicating the effectiveness of our Flexora in practice. We additionally provide insightful theoretical results and many ablation studies to deliver a comprehensive understanding of our Flexora.
The widespread use of the internet has led to an overwhelming amount of data, which has resulted in the problem of information overload. Recommender systems have emerged as a solution to this problem by providing personalized recommendations to users based on their preferences and historical data. However, as recommendation models become increasingly complex, finding the best hyperparameter combination for different models has become a challenge. The high-dimensional hyperparameter search space poses numerous challenges for researchers, and failure to disclose hyperparameter settings may impede the reproducibility of research results. In this paper, we investigate the Top-N implicit recommendation problem and focus on optimizing the benchmark recommendation algorithm commonly used in comparative experiments using hyperparameter optimization algorithms. We propose a research methodology that follows the principles of a fair comparison, employing seven types of hyperparameter search algorithms to fine-tune six common recommendation algorithms on three datasets. We have identified the most suitable hyperparameter search algorithms for various recommendation algorithms on different types of datasets as a reference for later study. This study contributes to algorithmic research in recommender systems based on hyperparameter optimization, providing a fair basis for comparison.
Hyperparameter optimization is a crucial problem in Evolutionary Computation. In fact, the values of the hyperparameters directly impact the trajectory taken by the optimization process, and their choice requires extensive reasoning by human operators. Although a variety of self-adaptive Evolutionary Algorithms have been proposed in the literature, no definitive solution has been found. In this work, we perform a preliminary investigation to automate the reasoning process that leads to the choice of hyperparameter values. We employ two open-source Large Language Models (LLMs), namely Llama2-70b and Mixtral, to analyze the optimization logs online and provide novel real-time hyperparameter recommendations. We study our approach in the context of step-size adaptation for (1+1)-ES. The results suggest that LLMs can be an effective method for optimizing hyperparameters in Evolution Strategies, encouraging further research in this direction.
The importance of tuning hyperparameters in Machine Learning (ML) and Deep Learning (DL) is established through empirical research and applications, evident from the increase in new hyperparameter optimization (HPO) algorithms and benchmarks steadily added by the community. However, current benchmarking practices using averaged performance across many datasets may obscure key differences between HPO methods, especially for pairwise comparisons. In this work, we apply Linear Mixed-Effect Models-based (LMEMs) significance testing for post-hoc analysis of HPO benchmarking runs. LMEMs allow flexible and expressive modeling on the entire experiment data, including information such as benchmark meta-features, offering deeper insights than current analysis practices. We demonstrate this through a case study on the PriorBand paper's experiment data to find insights not reported in the original work.
The Hilbert-space Gaussian Process (HGP) approach offers a hyperparameter-independent basis function approximation for speeding up Gaussian Process (GP) inference by projecting the GP onto M basis functions. These properties result in a favorable data-independent $\mathcal{O}(M^3)$ computational complexity during hyperparameter optimization but require a dominating one-time precomputation of the precision matrix costing $\mathcal{O}(NM^2)$ operations. In this paper, we lower this dominating computational complexity to $\mathcal{O}(NM)$ with no additional approximations. We can do this because we realize that the precision matrix can be split into a sum of Hankel-Toeplitz matrices, each having $\mathcal{O}(M)$ unique entries. Based on this realization we propose computing only these unique entries at $\mathcal{O}(NM)$ costs. Further, we develop two theorems that prescribe sufficient conditions for the complexity reduction to hold generally for a wide range of other approximate GP models, such as the Variational Fourier Feature (VFF) approach. The two theorems do this with no assumptions on the data and no additional approximations of the GP models themselves. Thus, our contribution provides a pure speed-up of several existing, widely used, GP approximations, without further approximations.
The recent surge of open-source large language models (LLMs) enables developers to create AI-based solutions while maintaining control over aspects such as privacy and compliance, thereby providing governance and ownership of the model deployment process. To utilize these LLMs, inference engines are needed. These engines load the model's weights onto available resources, such as GPUs, and process queries to generate responses. The speed of inference, or performance, of the LLM, is critical for real-time applications, as it computes millions or billions of floating point operations per inference. Recently, advanced inference engines such as vLLM have emerged, incorporating novel mechanisms such as efficient memory management to achieve state-of-the-art performance. In this paper, we analyze the performance, particularly the throughput (tokens generated per unit of time), of 20 LLMs using two inference libraries: vLLM and HuggingFace's pipelines. We investigate how various hyperparameters, which developers must configure, influence inference performance. Our results reveal that throughput landscapes are irregular, with distinct peaks, highlighting the importance of hyperparameter optimization to achieve maximum performance. We also show that applying hyperparameter optimization when upgrading or downgrading the GPU model used for inference can improve throughput from HuggingFace pipelines by an average of 9.16% and 13.7%, respectively.
Automated Machine Learning (AutoML) offers a promising approach to streamline the training of machine learning models. However, existing AutoML frameworks are often limited to unimodal scenarios and require extensive manual configuration. Recent advancements in Large Language Models (LLMs) have showcased their exceptional abilities in reasoning, interaction, and code generation, presenting an opportunity to develop a more automated and user-friendly framework. To this end, we introduce AutoM3L, an innovative Automated Multimodal Machine Learning framework that leverages LLMs as controllers to automatically construct multimodal training pipelines. AutoM3L comprehends data modalities and selects appropriate models based on user requirements, providing automation and interactivity. By eliminating the need for manual feature engineering and hyperparameter optimization, our framework simplifies user engagement and enables customization through directives, addressing the limitations of previous rule-based AutoML approaches. We evaluate the performance of AutoM3L on six diverse multimodal datasets spanning classification, regression, and retrieval tasks, as well as a comprehensive set of unimodal datasets. The results demonstrate that AutoM3L achieves competitive or superior performance compared to traditional rule-based AutoML methods. Furthermore, a user study highlights the user-friendliness and usability of our framework, compared to the rule-based AutoML methods.
Hyperparameter optimization is very frequently employed in machine learning. However, an optimization of a large space of parameters could result in overfitting of models. In recent studies on solubility prediction the authors collected seven thermodynamic and kinetic solubility datasets from different data sources. They used state-of-the-art graph-based methods and compared models developed for each dataset using different data cleaning protocols and hyperparameter optimization. In our study we showed that hyperparameter optimization did not always result in better models, possibly due to overfitting when using the same statistical measures. Similar results could be calculated using pre-set hyperparameters, reducing the computational effort by around 10,000 times. We also extended the previous analysis by adding a representation learning method based on Natural Language Processing of smiles called Transformer CNN. We show that across all analyzed sets using exactly the same protocol, Transformer CNN provided better results than graph-based methods for 26 out of 28 pairwise comparisons by using only a tiny fraction of time as compared to other methods. Last but not least we stressed the importance of comparing calculation results using exactly the same statistical measures.
Tuning parameters of a non-differentiable or black-box compute is challenging. Existing methods rely mostly on random sampling or grid sampling from the parameter space. Further, with all the current methods, it is not possible to supply any input specific parameters to the black-box. To the best of our knowledge, for the first time, we are able to learn input-specific parameters for a black box in this work. As a test application, we choose a popular image denoising method BM3D as our black-box compute. Then, we use a differentiable surrogate model (a neural network) to approximate the black-box behaviour. Next, another neural network is used in an end-to-end fashion to learn input instance-specific parameters for the black-box. Motivated by prior advances in surrogate-based optimization, we applied our method to the Smartphone Image Denoising Dataset (SIDD) and the Color Berkeley Segmentation Dataset (CBSD68) for image denoising. The results are compelling, demonstrating a significant increase in PSNR and a notable improvement in SSIM nearing 0.93. Experimental results underscore the effectiveness of our approach in achieving substantial improvements in both model performance and optimization efficiency. For code and implementation details, please refer to our GitHub repository: https://github.com/arnisha-k/instance-specific-param
The increasing adoption of Artificial Intelligence (AI) in engineering problems calls for the development of calibration methods capable of offering robust statistical reliability guarantees. The calibration of black box AI models is carried out via the optimization of hyperparameters dictating architecture, optimization, and/or inference configuration. Prior work has introduced learn-then-test (LTT), a calibration procedure for hyperparameter optimization (HPO) that provides statistical guarantees on average performance measures. Recognizing the importance of controlling risk-aware objectives in engineering contexts, this work introduces a variant of LTT that is designed to provide statistical guarantees on quantiles of a risk measure. We illustrate the practical advantages of this approach by applying the proposed algorithm to a radio access scheduling problem.
This paper focuses on hyperparameter optimization for autonomous driving strategies based on Reinforcement Learning. We provide a detailed description of training the RL agent in a simulation environment. Subsequently, we employ Efficient Global Optimization algorithm that uses Gaussian Process fitting for hyperparameter optimization in RL. Before this optimization phase, Gaussian process interpolation is applied to fit the surrogate model, for which the hyperparameter set is generated using Latin hypercube sampling. To accelerate the evaluation, parallelization techniques are employed. Following the hyperparameter optimization procedure, a set of hyperparameters is identified, resulting in a noteworthy enhancement in overall driving performance. There is a substantial increase of 4\% when compared to existing manually tuned parameters and the hyperparameters discovered during the initialization process using Latin hypercube sampling. After the optimization, we analyze the obtained results thoroughly and conduct a sensitivity analysis to assess the robustness and generalization capabilities of the learned autonomous driving strategies. The findings from this study contribute to the advancement of Gaussian process based Bayesian optimization to optimize the hyperparameters for autonomous driving in RL, providing valuable insights for the development of efficient and reliable autonomous driving systems.
This paper addresses the challenges of efficiently fine-tuning large language models (LLMs) by exploring data efficiency and hyperparameter optimization. We investigate the minimum data required for effective fine-tuning and propose a novel hyperparameter optimization method that leverages early-stage model performance. Our experiments demonstrate that fine-tuning with as few as 200 samples can improve model accuracy from 70\% to 88\% in a product attribute extraction task. We identify a saturation point of approximately 6,500 samples, beyond which additional data yields diminishing returns. Our proposed bayesian hyperparameter optimization method, which evaluates models at 20\% of total training time, correlates strongly with final model performance, with 4 out of 5 top early-stage models remaining in the top 5 at completion. This approach led to a 2\% improvement in accuracy over baseline models when evaluated on an independent test set. These findings offer actionable insights for practitioners, potentially reducing computational load and dependency on extensive datasets while enhancing overall performance of fine-tuned LLMs.
Deep learning has significantly accelerated drug discovery, with 'chemical language' processing (CLP) emerging as a prominent approach. CLP learns from molecular string representations (e.g., Simplified Molecular Input Line Entry Systems [SMILES] and Self-Referencing Embedded Strings [SELFIES]) with methods akin to natural language processing. Despite their growing importance, training predictive CLP models is far from trivial, as it involves many 'bells and whistles'. Here, we analyze the key elements of CLP training, to provide guidelines for newcomers and experts alike. Our study spans three neural network architectures, two string representations, three embedding strategies, across ten bioactivity datasets, for both classification and regression purposes. This 'hitchhiker's guide' not only underscores the importance of certain methodological choices, but it also equips researchers with practical recommendations on ideal choices, e.g., in terms of neural network architectures, molecular representations, and hyperparameter optimization.
In the context of cybersecurity of modern communications networks, Intrusion Detection Systems (IDS) have been continuously improved, many of them incorporating machine learning (ML) techniques to identify threats. Although there are researches focused on the study of these techniques applied to IDS, the state-of-the-art lacks works concentrated exclusively on the evaluation of the impacts of data pre-processing actions and the optimization of the values of the hyperparameters of the ML algorithms in the construction of the models of threat identification. This article aims to present a study that fills this research gap. For that, experiments were carried out with two data sets, comparing attack scenarios with variations of pre-processing techniques and optimization of hyperparameters. The results confirm that the proper application of these techniques, in general, makes the generated classification models more robust and greatly reduces the execution times of these models' training and testing processes.
Gradient-based attacks are a primary tool to evaluate robustness of machine-learning models. However, many attacks tend to provide overly-optimistic evaluations as they use fixed loss functions, optimizers, step-size schedulers, and default hyperparameters. In this work, we tackle these limitations by proposing a parametric variation of the well-known fast minimum-norm attack algorithm, whose loss, optimizer, step-size scheduler, and hyperparameters can be dynamically adjusted. We re-evaluate 12 robust models, showing that our attack finds smaller adversarial perturbations without requiring any additional tuning. This also enables reporting adversarial robustness as a function of the perturbation budget, providing a more complete evaluation than that offered by fixed-budget attacks, while remaining efficient. We release our open-source code at https://github.com/pralab/HO-FMN.
Objective: Brain metastases (BMs) are common in cancer patients and determining the primary tumor site is crucial for effective treatment. This study aims to predict the primary tumor site from BM MRI data using radiomic features and advanced machine learning algorithms. Methods: We utilized a comprehensive dataset from Ocana-Tienda et al. (2023) comprising MRI and clinical data from 75 patients with BMs. Radiomic features were extracted from post-contrast T1-weighted MRI sequences. Feature selection was performed using the GINI index, and data normalization was applied to ensure consistent scaling. We developed and evaluated Random Forest and XGBoost classifiers, both with and without hyperparameter optimization using the FOX (Fox optimizer) algorithm. Model interpretability was enhanced using SHAP (SHapley Additive exPlanations) values. Results: The baseline Random Forest model achieved an accuracy of 0.85, which improved to 0.93 with FOX optimization. The XGBoost model showed an initial accuracy of 0.96, increasing to 0.99 after optimization. SHAP analysis revealed the most influential radiomic features contributing to the models' predictions. The FOX-optimized XGBoost model exhibited the best performance with a precision, recall, and F1-score of 0.99. Conclusion: This study demonstrates the effectiveness of using radiomic features and machine learning to predict primary tumor sites from BM MRI data. The FOX optimization algorithm significantly enhanced model performance, and SHAP provided valuable insights into feature importance. These findings highlight the potential of integrating radiomics and machine learning into clinical practice for improved diagnostic accuracy and personalized treatment planning.
Bayesian optimization (BO) is an efficient framework for optimization of black-box objectives when function evaluations are costly and gradient information is not easily accessible. BO has been successfully applied to automate the task of hyperparameter optimization (HPO) in machine learning (ML) models with the primary objective of optimizing predictive performance on held-out data. In recent years, however, with ever-growing model sizes, the energy cost associated with model training has become an important factor for ML applications. Here we evaluate Constrained Bayesian Optimization (CBO) with the primary objective of minimizing energy consumption and subject to the constraint that the generalization performance is above some threshold. We evaluate our approach on regression and classification tasks and demonstrate that CBO achieves lower energy consumption without compromising the predictive performance of ML models.
Emotions and smell are underrepresented in digital art history. In this exploratory work, we show that recognising emotions from smell-related artworks is technically feasible but has room for improvement. Using style transfer and hyperparameter optimization we achieve a minor performance boost and open up the field for future extensions.