Training machine learning models inherently involves a resource-intensive and noisy iterative learning procedure that allows epoch-wise monitoring of the model performance. However, the insights gained from the iterative learning procedure typically remain underutilized in multi-objective hyperparameter optimization scenarios. Despite the limited research in this area, existing methods commonly identify the trade-offs only at the end of model training, overlooking the fact that trade-offs can emerge at earlier epochs in cases such as overfitting. To bridge this gap, we propose an enhanced multi-objective hyperparameter optimization problem that treats the number of training epochs as a decision variable, rather than merely an auxiliary parameter, to account for trade-offs at an earlier training stage. To solve this problem and accommodate its iterative learning, we then present a trajectory-based multi-objective Bayesian optimization algorithm characterized by two features: 1) a novel acquisition function that captures the improvement along the predictive trajectory of model performances over epochs for any hyperparameter setting and 2) a multi-objective early stopping mechanism that determines when to terminate the training to maximize epoch efficiency. Experiments on synthetic simulations and hyperparameter tuning benchmarks demonstrate that our algorithm can effectively identify the desirable trade-offs while improving tuning efficiency.
To advance the circular economy (CE), it is crucial to gain insights into the evolution of public attention, cognitive pathways of the masses concerning circular products, and to identify primary concerns. To achieve this, we collected data from diverse platforms, including Twitter, Reddit, and The Guardian, and utilised three topic models to analyse the data. Given the performance of topic modelling may vary depending on hyperparameter settings, this research proposed a novel framework that integrates twin (single and multi-objective) hyperparameter optimisation for the CE. We conducted systematic experiments to ensure that topic models are set with appropriate hyperparameters under different constraints, providing valuable insights into the correlations between CE and public attention. In summary, our optimised model reveals that public remains concerned about the economic impacts of sustainability and circular practices, particularly regarding recyclable materials and environmentally sustainable technologies. The analysis shows that the CE has attracted significant attention on The Guardian, especially in topics related to sustainable development and environmental protection technologies, while discussions are comparatively less active on Twitter. These insights highlight the need for policymakers to implement targeted education programs, create incentives for businesses to adopt CE principles, and enforce more stringent waste management policies alongside improved recycling processes.
Decision-making under uncertainty is a fundamental problem encountered frequently and can be formulated as a stochastic multi-armed bandit problem. In the problem, the learner interacts with an environment by choosing an action at each round, where a round is an instance of an interaction. In response, the environment reveals a reward, which is sampled from a stochastic process, to the learner. The goal of the learner is to maximize cumulative reward. In this work, we assume that the rewards are the inner product of an action vector and a state vector generated by a linear Gaussian dynamical system. To predict the reward for each action, we propose a method that takes a linear combination of previously observed rewards for predicting each action's next reward. We show that, regardless of the sequence of previous actions chosen, the reward sampled for any previously chosen action can be used for predicting another action's future reward, i.e. the reward sampled for action 1 at round $t-1$ can be used for predicting the reward for action $2$ at round $t$. This is accomplished by designing a modified Kalman filter with a matrix representation that can be learned for reward prediction. Numerical evaluations are carried out on a set of linear Gaussian dynamical systems and are compared with 2 other well-known stochastic multi-armed bandit algorithms.
This paper explores the possibilities of the current generation of Large Language Models for incorporating Machine Learning Operations (MLOps) functionalities into ML training code bases. We evaluate the performance of OpenAI (gpt-3.5-turbo) and WizardCoder (open-source, 15B parameters) models on the automated accomplishment of various MLOps functionalities in different settings. We perform a benchmarking study that assesses the ability of these models to: (1) adapt existing code samples (Inlining) with component-specific MLOps functionality such as MLflow and Weights & Biases for experiment tracking, Optuna for hyperparameter optimization etc., and (2) perform the task of Translation from one component of an MLOps functionality to another, e.g., translating existing GitPython library based version control code to Data Version Control library based. We also propose three different approaches that involve teaching LLMs to comprehend the API documentation of the components as a reference while accomplishing the Translation tasks. In our evaluations, the gpt-3.5-turbo model significantly outperforms WizardCoder by achieving impressive Pass@3 accuracy in model optimization (55% compared to 0% by WizardCoder), experiment tracking (100%, compared to 62.5% by WizardCoder), model registration (92% compared to 42% by WizardCoder) and hyperparameter optimization (83% compared to 58% by WizardCoder) on average, in their best possible settings, showcasing its superior code adaptability performance in complex MLOps tasks.
Hyperparameter optimization plays a pivotal role in enhancing the predictive performance and generalization capabilities of ML models. However, in many applications, we do not only care about predictive performance but also about additional objectives such as inference time, memory, or energy consumption. In such multi-objective scenarios, determining the importance of hyperparameters poses a significant challenge due to the complex interplay between the conflicting objectives. In this paper, we propose the first method for assessing the importance of hyperparameters in multi-objective hyperparameter optimization. Our approach leverages surrogate-based hyperparameter importance measures, i.e., fANOVA and ablation paths, to provide insights into the impact of hyperparameters on the optimization objectives. Specifically, we compute the a-priori scalarization of the objectives and determine the importance of the hyperparameters for different objective tradeoffs. Through extensive empirical evaluations on diverse benchmark datasets with three different objective pairs, each combined with accuracy, namely time, demographic parity loss, and energy consumption, we demonstrate the effectiveness and robustness of our proposed method. Our findings not only offer valuable guidance for hyperparameter tuning in multi-objective optimization tasks but also contribute to advancing the understanding of hyperparameter importance in complex optimization scenarios.
Aequitas Flow is an open-source framework and toolkit for end-to-end Fair Machine Learning (ML) experimentation, and benchmarking in Python. This package fills integration gaps that exist in other fair ML packages. In addition to the existing audit capabilities in Aequitas, the Aequitas Flow module provides a pipeline for fairness-aware model training, hyperparameter optimization, and evaluation, enabling easy-to-use and rapid experiments and analysis of results. Aimed at ML practitioners and researchers, the framework offers implementations of methods, datasets, metrics, and standard interfaces for these components to improve extensibility. By facilitating the development of fair ML practices, Aequitas Flow hopes to enhance the incorporation of fairness concepts in AI systems making AI systems more robust and fair.
In this paper, we present a novel approach to accelerate the Bayesian inference process, focusing specifically on the nested sampling algorithms. Bayesian inference plays a crucial role in cosmological parameter estimation, providing a robust framework for extracting theoretical insights from observational data. However, its computational demands can be substantial, primarily due to the need for numerous likelihood function evaluations. Our proposed method utilizes the power of deep learning, employing feedforward neural networks to approximate the likelihood function dynamically during the Bayesian inference process. Unlike traditional approaches, our method trains neural networks on-the-fly using the current set of live points as training data, without the need for pre-training. This flexibility enables adaptation to various theoretical models and datasets. We perform simple hyperparameter optimization using genetic algorithms to suggest initial neural network architectures for learning each likelihood function. Once sufficient accuracy is achieved, the neural network replaces the original likelihood function. The implementation integrates with nested sampling algorithms and has been thoroughly evaluated using both simple cosmological dark energy models and diverse observational datasets. Additionally, we explore the potential of genetic algorithms for generating initial live points within nested sampling inference, opening up new avenues for enhancing the efficiency and effectiveness of Bayesian inference methods.
Graph neural networks have emerged as a specialized branch of deep learning, designed to address problems where pairwise relations between objects are crucial. Recent advancements utilize graph convolutional neural networks to extract features within graph structures. Despite promising results, these methods face challenges in real-world applications due to sparse features, resulting in inefficient resource utilization. Recent studies draw inspiration from the mammalian brain and employ spiking neural networks to model and learn graph structures. However, these approaches are limited to traditional Von Neumann-based computing systems, which still face hardware inefficiencies. In this study, we present a fully neuromorphic implementation of spiking graph neural networks designed for Loihi 2. We optimize network parameters using Lava Bayesian Optimization, a novel hyperparameter optimization system compatible with neuromorphic computing architectures. We showcase the performance benefits of combining neuromorphic Bayesian optimization with our approach for citation graph classification using fixed-precision spiking neurons. Our results demonstrate the capability of integer-precision, Loihi 2 compatible spiking neural networks in performing citation graph classification with comparable accuracy to existing floating point implementations.
With the increasing computational costs associated with deep learning, automated hyperparameter optimization methods, strongly relying on black-box Bayesian optimization (BO), face limitations. Freeze-thaw BO offers a promising grey-box alternative, strategically allocating scarce resources incrementally to different configurations. However, the frequent surrogate model updates inherent to this approach pose challenges for existing methods, requiring retraining or fine-tuning their neural network surrogates online, introducing overhead, instability, and hyper-hyperparameters. In this work, we propose FT-PFN, a novel surrogate for Freeze-thaw style BO. FT-PFN is a prior-data fitted network (PFN) that leverages the transformers' in-context learning ability to efficiently and reliably do Bayesian learning curve extrapolation in a single forward pass. Our empirical analysis across three benchmark suites shows that the predictions made by FT-PFN are more accurate and 10-100 times faster than those of the deep Gaussian process and deep ensemble surrogates used in previous work. Furthermore, we show that, when combined with our novel acquisition mechanism (MFPI-random), the resulting in-context freeze-thaw BO method (ifBO), yields new state-of-the-art performance in the same three families of deep learning HPO benchmarks considered in prior work.
There has been a growing interest in off-policy evaluation in the literature such as recommender systems and personalized medicine. We have so far seen significant progress in developing estimators aimed at accurately estimating the effectiveness of counterfactual policies based on biased logged data. However, there are many cases where those estimators are used not only to evaluate the value of decision making policies but also to search for the best hyperparameters from a large candidate space. This work explores the latter hyperparameter optimization (HPO) task for off-policy learning. We empirically show that naively applying an unbiased estimator of the generalization performance as a surrogate objective in HPO can cause an unexpected failure, merely pursuing hyperparameters whose generalization performance is greatly overestimated. We then propose simple and computationally efficient corrections to the typical HPO procedure to deal with the aforementioned issues simultaneously. Empirical investigations demonstrate the effectiveness of our proposed HPO algorithm in situations where the typical procedure fails severely.
Policy-Space Response Oracles (PSRO) as a general algorithmic framework has achieved state-of-the-art performance in learning equilibrium policies of two-player zero-sum games. However, the hand-crafted hyperparameter value selection in most of the existing works requires extensive domain knowledge, forming the main barrier to applying PSRO to different games. In this work, we make the first attempt to investigate the possibility of self-adaptively determining the optimal hyperparameter values in the PSRO framework. Our contributions are three-fold: (1) Using several hyperparameters, we propose a parametric PSRO that unifies the gradient descent ascent (GDA) and different PSRO variants. (2) We propose the self-adaptive PSRO (SPSRO) by casting the hyperparameter value selection of the parametric PSRO as a hyperparameter optimization (HPO) problem where our objective is to learn an HPO policy that can self-adaptively determine the optimal hyperparameter values during the running of the parametric PSRO. (3) To overcome the poor performance of online HPO methods, we propose a novel offline HPO approach to optimize the HPO policy based on the Transformer architecture. Experiments on various two-player zero-sum games demonstrate the superiority of SPSRO over different baselines.
Hyperparameter optimization plays a key role in the machine learning domain. Its significance is especially pronounced in reinforcement learning (RL), where agents continuously interact with and adapt to their environments, requiring dynamic adjustments in their learning trajectories. To cater to this dynamicity, the Population-Based Training (PBT) was introduced, leveraging the collective intelligence of a population of agents learning simultaneously. However, PBT tends to favor high-performing agents, potentially neglecting the explorative potential of agents on the brink of significant advancements. To mitigate the limitations of PBT, we present the Generalized Population-Based Training (GPBT), a refined framework designed for enhanced granularity and flexibility in hyperparameter adaptation. Complementing GPBT, we further introduce Pairwise Learning (PL). Instead of merely focusing on elite agents, PL employs a comprehensive pairwise strategy to identify performance differentials and provide holistic guidance to underperforming agents. By integrating the capabilities of GPBT and PL, our approach significantly improves upon traditional PBT in terms of adaptability and computational efficiency. Rigorous empirical evaluations across a range of RL benchmarks confirm that our approach consistently outperforms not only the conventional PBT but also its Bayesian-optimized variant.
Training an effective deep learning model to learn ocean processes involves careful choices of various hyperparameters. We leverage the advanced search algorithms for multiobjective optimization in DeepHyper, a scalable hyperparameter optimization software, to streamline the development of neural networks tailored for ocean modeling. The focus is on optimizing Fourier neural operators (FNOs), a data-driven model capable of simulating complex ocean behaviors. Selecting the correct model and tuning the hyperparameters are challenging tasks, requiring much effort to ensure model accuracy. DeepHyper allows efficient exploration of hyperparameters associated with data preprocessing, FNO architecture-related hyperparameters, and various model training strategies. We aim to obtain an optimal set of hyperparameters leading to the most performant model. Moreover, on top of the commonly used mean squared error for model training, we propose adopting the negative anomaly correlation coefficient as the additional loss term to improve model performance and investigate the potential trade-off between the two terms. The experimental results show that the optimal set of hyperparameters enhanced model performance in single timestepping forecasting and greatly exceeded the baseline configuration in the autoregressive rollout for long-horizon forecasting up to 30 days. Utilizing DeepHyper, we demonstrate an approach to enhance the use of FNOs in ocean dynamics forecasting, offering a scalable solution with improved precision.
SecureBoost is a tree-boosting algorithm that leverages homomorphic encryption (HE) to protect data privacy in vertical federated learning. SecureBoost and its variants have been widely adopted in fields such as finance and healthcare. However, the hyperparameters of SecureBoost are typically configured heuristically for optimizing model performance (i.e., utility) solely, assuming that privacy is secured. Our study found that SecureBoost and some of its variants are still vulnerable to label leakage. This vulnerability may lead the current heuristic hyperparameter configuration of SecureBoost to a suboptimal trade-off between utility, privacy, and efficiency, which are pivotal elements toward a trustworthy federated learning system. To address this issue, we propose the Constrained Multi-Objective SecureBoost (CMOSB) algorithm, which aims to approximate Pareto optimal solutions that each solution is a set of hyperparameters achieving an optimal trade-off between utility loss, training cost, and privacy leakage. We design measurements of the three objectives, including a novel label inference attack named instance clustering attack (ICA) to measure the privacy leakage of SecureBoost. Additionally, we provide two countermeasures against ICA. The experimental results demonstrate that the CMOSB yields superior hyperparameters over those optimized by grid search and Bayesian optimization regarding the trade-off between utility loss, training cost, and privacy leakage.
To reach high performance with deep learning, hyperparameter optimization (HPO) is essential. This process is usually time-consuming due to costly evaluations of neural networks. Early discarding techniques limit the resources granted to unpromising candidates by observing the empirical learning curves and canceling neural network training as soon as the lack of competitiveness of a candidate becomes evident. Despite two decades of research, little is understood about the trade-off between the aggressiveness of discarding and the loss of predictive performance. Our paper studies this trade-off for several commonly used discarding techniques such as successive halving and learning curve extrapolation. Our surprising finding is that these commonly used techniques offer minimal to no added value compared to the simple strategy of discarding after a constant number of epochs of training. The chosen number of epochs depends mostly on the available compute budget. We call this approach i-Epoch (i being the constant number of epochs with which neural networks are trained) and suggest to assess the quality of early discarding techniques by comparing how their Pareto-Front (in consumed training epochs and predictive performance) complement the Pareto-Front of i-Epoch.
This paper investigates how various randomization techniques impact Deep Neural Networks (DNNs). Randomization, like weight noise and dropout, aids in reducing overfitting and enhancing generalization, but their interactions are poorly understood. The study categorizes randomness techniques into four types and proposes new methods: adding noise to the loss function and random masking of gradient updates. Using Particle Swarm Optimizer (PSO) for hyperparameter optimization, it explores optimal configurations across MNIST, FASHION-MNIST, CIFAR10, and CIFAR100 datasets. Over 30,000 configurations are evaluated, revealing data augmentation and weight initialization randomness as main performance contributors. Correlation analysis shows different optimizers prefer distinct randomization types. The complete implementation and dataset are available on GitHub.
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.
Deep Learning (DL) has advanced various fields by extracting complex patterns from large datasets. However, the computational demands of DL models pose environmental and resource challenges. Deep shift neural networks (DSNNs) offer a solution by leveraging shift operations to reduce computational complexity at inference. Following the insights from standard DNNs, we are interested in leveraging the full potential of DSNNs by means of AutoML techniques. We study the impact of hyperparameter optimization (HPO) to maximize DSNN performance while minimizing resource consumption. Since this combines multi-objective (MO) optimization with accuracy and energy consumption as potentially complementary objectives, we propose to combine state-of-the-art multi-fidelity (MF) HPO with multi-objective optimization. Experimental results demonstrate the effectiveness of our approach, resulting in models with over 80\% in accuracy and low computational cost. Overall, our method accelerates efficient model development while enabling sustainable AI applications.
Many NLP researchers rely on free computational services, such as Google Colab, to fine-tune their Transformer models, causing a limitation for hyperparameter optimization (HPO) in long-text classification due to the method having quadratic complexity and needing a bigger resource. In Indonesian, only a few works were found on long-text classification using Transformers. Most only use a small amount of data and do not report any HPO. In this study, using 18k news articles, we investigate which pretrained models are recommended to use based on the output length of the tokenizer. We then compare some hacks to shorten and enrich the sequences, which are the removals of stopwords, punctuation, low-frequency words, and recurring words. To get a fair comparison, we propose and run an efficient and dynamic HPO procedure that can be done gradually on a limited resource and does not require a long-running optimization library. Using the best hack found, we then compare 512, 256, and 128 tokens length. We find that removing stopwords while keeping punctuation and low-frequency words is the best hack. Some of our setups manage to outperform taking 512 first tokens using a smaller 128 or 256 first tokens which manage to represent the same information while requiring less computational resources. The findings could help developers to efficiently pursue optimal performance of the models using limited resources.
We study the problem of efficiently computing the derivative of the fixed-point of a parametric nondifferentiable contraction map. This problem has wide applications in machine learning, including hyperparameter optimization, meta-learning and data poisoning attacks. We analyze two popular approaches: iterative differentiation (ITD) and approximate implicit differentiation (AID). A key challenge behind the nonsmooth setting is that the chain rule does not hold anymore. We build upon the work by Bolte et al. (2022), who prove linear convergence of nonsmooth ITD under a piecewise Lipschitz smooth assumption. In the deterministic case, we provide a linear rate for AID and an improved linear rate for ITD which closely match the ones for the smooth setting. We further introduce NSID, a new stochastic method to compute the implicit derivative when the contraction map is defined as the composition of an outer map and an inner map which is accessible only through a stochastic unbiased estimator. We establish rates for the convergence of NSID, encompassing the best available rates in the smooth setting. We also present illustrative experiments confirming our analysis.