In this paper, we use Prior-data Fitted Networks (PFNs) as a flexible surrogate for Bayesian Optimization (BO). PFNs are neural processes that are trained to approximate the posterior predictive distribution (PPD) through in-context learning on any prior distribution that can be efficiently sampled from. We describe how this flexibility can be exploited for surrogate modeling in BO. We use PFNs to mimic a naive Gaussian process (GP), an advanced GP, and a Bayesian Neural Network (BNN). In addition, we show how to incorporate further information into the prior, such as allowing hints about the position of optima (user priors), ignoring irrelevant dimensions, and performing non-myopic BO by learning the acquisition function. The flexibility underlying these extensions opens up vast possibilities for using PFNs for BO. We demonstrate the usefulness of PFNs for BO in a large-scale evaluation on artificial GP samples and three different hyperparameter optimization testbeds: HPO-B, Bayesmark, and PD1. We publish code alongside trained models at github.com/automl/PFNs4BO.
The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention making the process time-consuming while preventing full automation. Instead, envision an intelligent agent capable of assisting users in conducting AutoML tasks through intuitive, natural conversations without requiring in-depth knowledge of the underlying machine learning (ML) processes. This agent's key challenge is to accurately comprehend the user's prediction goals and, consequently, formulate precise ML tasks, adjust data sets and model parameters accordingly, and articulate results effectively. In this paper, we take a pioneering step towards this ambitious goal by introducing a ChatGPT-based conversational data-science framework to act as a "personal data scientist". Precisely, we utilize Large Language Models (ChatGPT) to build a natural interface between the users and the ML models (Scikit-Learn), which in turn, allows us to approach this ambitious problem with a realistic solution. Our model pivots around four dialogue states: Data Visualization, Task Formulation, Prediction Engineering, and Result Summary and Recommendation. Each state marks a unique conversation phase, impacting the overall user-system interaction. Multiple LLM instances, serving as "micro-agents", ensure a cohesive conversation flow, granting us granular control over the conversation's progression. In summary, we developed an end-to-end system that not only proves the viability of the novel concept of conversational data science but also underscores the potency of LLMs in solving complex tasks. Interestingly, its development spotlighted several critical weaknesses in the current LLMs (ChatGPT) and highlighted substantial opportunities for improvement.
Automated Machine Learning (AutoML) is a promising direction for democratizing AI by automatically deploying Machine Learning systems with minimal human expertise. The core technical challenge behind AutoML is optimizing the pipelines of Machine Learning systems (e.g. the choice of preprocessing, augmentations, models, optimizers, etc.). Existing Pipeline Optimization techniques fail to explore deep interactions between pipeline stages/components. As a remedy, this paper proposes a novel neural architecture that captures the deep interaction between the components of a Machine Learning pipeline. We propose embedding pipelines into a latent representation through a novel per-component encoder mechanism. To search for optimal pipelines, such pipeline embeddings are used within deep-kernel Gaussian Process surrogates inside a Bayesian Optimization setup. Furthermore, we meta-learn the parameters of the pipeline embedding network using existing evaluations of pipelines on diverse collections of related datasets (a.k.a. meta-datasets). Through extensive experiments on three large-scale meta-datasets, we demonstrate that pipeline embeddings yield state-of-the-art results in Pipeline Optimization.
Sparse Neural Networks (SNNs) can potentially demonstrate similar performance to their dense counterparts while saving significant energy and memory at inference. However, the accuracy drop incurred by SNNs, especially at high pruning ratios, can be an issue in critical deployment conditions. While recent works mitigate this issue through sophisticated pruning techniques, we shift our focus to an overlooked factor: hyperparameters and activation functions. Our analyses have shown that the accuracy drop can additionally be attributed to (i) Using ReLU as the default choice for activation functions unanimously, and (ii) Fine-tuning SNNs with the same hyperparameters as dense counterparts. Thus, we focus on learning a novel way to tune activation functions for sparse networks and combining these with a separate hyperparameter optimization (HPO) regime for sparse networks. By conducting experiments on popular DNN models (LeNet-5, VGG-16, ResNet-18, and EfficientNet-B0) trained on MNIST, CIFAR-10, and ImageNet-16 datasets, we show that the novel combination of these two approaches, dubbed Sparse Activation Function Search, short: SAFS, results in up to 15.53%, 8.88%, and 6.33% absolute improvement in the accuracy for LeNet-5, VGG-16, and ResNet-18 over the default training protocols, especially at high pruning ratios. Our code can be found at https://github.com/automl/SAFS
The success of self-supervised learning in computer vision and natural language processing has motivated pretraining methods on tabular data. However, most existing tabular self-supervised learning models fail to leverage information across multiple data tables and cannot generalize to new tables. In this work, we introduce XTab, a framework for cross-table pretraining of tabular transformers on datasets from various domains. We address the challenge of inconsistent column types and quantities among tables by utilizing independent featurizers and using federated learning to pretrain the shared component. Tested on 84 tabular prediction tasks from the OpenML-AutoML Benchmark (AMLB), we show that (1) XTab consistently boosts the generalizability, learning speed, and performance of multiple tabular transformers, (2) by pretraining FT-Transformer via XTab, we achieve superior performance than other state-of-the-art tabular deep learning models on various tasks such as regression, binary, and multiclass classification.
In this study, we propose a big data pipeline for cotton bloom detection using a Lambda architecture, which enables real-time and batch processing of data. Our proposed approach leverages Azure resources such as Data Factory, Event Grids, Rest APIs, and Databricks. This work is the first to develop and demonstrate the implementation of such a pipeline for plant phenotyping through Azure's cloud computing service. The proposed pipeline consists of data preprocessing, object detection using a YOLOv5 neural network model trained through Azure AutoML, and visualization of object detection bounding boxes on output images. The trained model achieves a mean Average Precision (mAP) score of 0.96, demonstrating its high performance for cotton bloom classification. We evaluate our Lambda architecture pipeline using 9000 images yielding an optimized runtime of 34 minutes. The results illustrate the scalability of the proposed pipeline as a solution for deep learning object detection, with the potential for further expansion through additional Azure processing cores. This work advances the scientific research field by providing a new method for cotton bloom detection on a large dataset and demonstrates the potential of utilizing cloud computing resources, specifically Azure, for efficient and accurate big data processing in precision agriculture.
AI tasks encompass a wide range of domains and fields. While numerous AI models have been designed for specific tasks and applications, they often require considerable human efforts in finding the right model architecture, optimization algorithm, and hyperparameters. Recent advances in large language models (LLMs) like ChatGPT show remarkable capabilities in various aspects of reasoning, comprehension, and interaction. Consequently, we propose developing task-oriented prompts and automatically utilizing LLMs to automate the training pipeline. To implement this concept, we present the AutoML-GPT, which employs GPT as the bridge to diverse AI models and dynamically trains models with optimized hyperparameters. AutoML-GPT dynamically takes user requests from the model and data cards and composes the corresponding prompt paragraph. Ultimately, with this prompt paragraph, AutoML-GPT will automatically conduct the experiments from data processing to model architecture, hyperparameter tuning, and predicted training log. By leveraging {\ours}'s robust language capabilities and the available AI models, AutoML-GPT can tackle numerous intricate AI tasks across various tasks and datasets. This approach achieves remarkable results in computer vision, natural language processing, and other challenging areas. Extensive experiments and ablation studies demonstrate that our method can be general, effective, and beneficial for many AI tasks.
Price forecasting for used construction equipment is a challenging task due to spatial and temporal price fluctuations. It is thus of high interest to automate the forecasting process based on current market data. Even though applying machine learning (ML) to these data represents a promising approach to predict the residual value of certain tools, it is hard to implement for small and medium-sized enterprises due to their insufficient ML expertise. To this end, we demonstrate the possibility of substituting manually created ML pipelines with automated machine learning (AutoML) solutions, which automatically generate the underlying pipelines. We combine AutoML methods with the domain knowledge of the companies. Based on the CRISP-DM process, we split the manual ML pipeline into a machine learning and non-machine learning part. To take all complex industrial requirements into account and to demonstrate the applicability of our new approach, we designed a novel metric named method evaluation score, which incorporates the most important technical and non-technical metrics for quality and usability. Based on this metric, we show in a case study for the industrial use case of price forecasting, that domain knowledge combined with AutoML can weaken the dependence on ML experts for innovative small and medium-sized enterprises which are interested in conducting such solutions.
The field of machine learning (ML) has gained widespread adoption, leading to significant demand for adapting ML to specific scenarios, which is yet expensive and non-trivial. The predominant approaches towards the automation of solving ML tasks (e.g., AutoML) are often time-consuming and hard to understand for human developers. In contrast, though human engineers have the incredible ability to understand tasks and reason about solutions, their experience and knowledge are often sparse and difficult to utilize by quantitative approaches. In this paper, we aim to bridge the gap between machine intelligence and human knowledge by introducing a novel framework, which leverages the state-of-the-art large language models to develop ML solutions for novel tasks. We showcase the possibility of extending the capability of LLMs to comprehend structured inputs and perform thorough reasoning for solving novel ML tasks. And we find that, after some dedicated design, the LLM can (i) observe from the existing experiences of ML tasks and (ii) reason effectively to deliver promising results for new tasks. The solution generated can be used directly to achieve high levels of competitiveness. Examples and code available at https://github.com/microsoft/CoML.
Unsupervised anomaly detection (AD) is critical for a wide range of practical applications, from network security to health and medical tools. Due to the diversity of problems, no single algorithm has been found to be superior for all AD tasks. Choosing an algorithm, otherwise known as the Algorithm Selection Problem (ASP), has been extensively examined in supervised classification problems, through the use of meta-learning and AutoML, however, it has received little attention in unsupervised AD tasks. This research proposes a new meta-learning approach that identifies an appropriate unsupervised AD algorithm given a set of meta-features generated from the unlabelled input dataset. The performance of the proposed meta-learner is superior to the current state of the art solution. In addition, a mixed model statistical analysis has been conducted to examine the impact of the meta-learner components: the meta-model, meta-features, and the base set of AD algorithms, on the overall performance of the meta-learner. The analysis was conducted using more than 10,000 datasets, which is significantly larger than previous studies. Results indicate that a relatively small number of meta-features can be used to identify an appropriate AD algorithm, but the choice of a meta-model in the meta-learner has a considerable impact.
With the development of the medical image field, researchers seek to develop a class of datasets to block the need for medical knowledge, such as \text{MedMNIST} (v2). MedMNIST (v2) includes a large number of small-sized (28 $\times$ 28 or 28 $\times$ 28 $\times$ 28) medical samples and the corresponding expert annotations (class label). The existing baseline model (Google AutoML Vision, ResNet-50+3D) can reach an average accuracy of over 70\% on MedMNIST (v2) datasets, which is comparable to the performance of expert decision-making. Nevertheless, we note that there are two insurmountable obstacles to modeling on MedMNIST (v2): 1) the raw images are cropped to low scales may cause effective recognition information to be dropped and the classifier to have difficulty in tracing accurate decision boundaries; 2) the labelers' subjective insight may cause many uncertainties in the label space. To address these issues, we develop a Complex Mixer (C-Mixer) with a pre-training framework to alleviate the problem of insufficient information and uncertainty in the label space by introducing an incentive imaginary matrix and a self-supervised scheme with random masking. Our method (incentive learning and self-supervised learning with masking) shows surprising potential on both the standard MedMNIST (v2) dataset, the customized weakly supervised datasets, and other image enhancement tasks.
Recent advancements in software and hardware technologies have enabled the use of AI/ML models in everyday applications has significantly improved the quality of service rendered. However, for a given application, finding the right AI/ML model is a complex and costly process, that involves the generation, training, and evaluation of multiple interlinked steps (called pipelines), such as data pre-processing, feature engineering, selection, and model tuning. These pipelines are complex (in structure) and costly (both in compute resource and time) to execute end-to-end, with a hyper-parameter associated with each step. AutoML systems automate the search of these hyper-parameters but are slow, as they rely on optimizing the pipeline's end output. We propose the eTOP Framework which works on top of any AutoML system and decides whether or not to execute the pipeline to the end or terminate at an intermediate step. Experimental evaluation on 26 benchmark datasets and integration of eTOPwith MLBox4 reduces the training time of the AutoML system upto 40x than baseline MLBox.
Automated machine learning (AutoML) methods improve upon existing models by optimizing various aspects of their design. While present methods focus on hyperparameters and neural network topologies, other aspects of neural network design can be optimized as well. To further the state of the art in AutoML, this dissertation introduces techniques for discovering more powerful activation functions and establishing more robust weight initialization for neural networks. These contributions improve performance, but also provide new perspectives on neural network optimization. First, the dissertation demonstrates that discovering solutions specialized to specific architectures and tasks gives better performance than reusing general approaches. Second, it shows that jointly optimizing different components of neural networks is synergistic, and results in better performance than optimizing individual components alone. Third, it demonstrates that learned representations are easier to optimize than hard-coded ones, creating further opportunities for AutoML. The dissertation thus makes concrete progress towards fully automatic machine learning in the future.
Several decision problems that are encountered in various business domains can be modeled as mathematical programs, i.e. optimization problems. The process of conducting such modeling often requires the involvement of experts trained in operations research and advanced algorithms. Surprisingly, despite the significant advances in the methods for program and code synthesis, AutoML, learning to optimize etc., there has been little or no attention paid to automating the task of synthesizing mathematical programs. We imagine a scenario where the specifications for modeling, i.e. the objective and constraints are expressed in an unstructured form in natural language (NL) and the mathematical program has to be synthesized from such an NL specification. In this work we evaluate the efficacy of employing CodeT5 with data augmentation and post-processing of beams. We utilize GPT-3 with back translation for generation of synthetic examples. Further we apply rules of linear programming to score beams and correct beams based on common error patterns. We observe that with these enhancements CodeT5 base gives an execution accuracy of 0.73 which is significantly better than zero-shot execution accuracy of 0.41 by ChatGPT and 0.36 by Codex.
Although Reinforcement Learning (RL) has shown to be capable of producing impressive results, its use is limited by the impact of its hyperparameters on performance. This often makes it difficult to achieve good results in practice. Automated RL (AutoRL) addresses this difficulty, yet little is known about the dynamics of the hyperparameter landscapes that hyperparameter optimization (HPO) methods traverse in search of optimal configurations. In view of existing AutoRL approaches dynamically adjusting hyperparameter configurations, we propose an approach to build and analyze these hyperparameter landscapes not just for one point in time but at multiple points in time throughout training. Addressing an important open question on the legitimacy of such dynamic AutoRL approaches, we provide thorough empirical evidence that the hyperparameter landscapes strongly vary over time across representative algorithms from RL literature (DQN, PPO, and SAC) in different kinds of environments (Cartpole, Bipedal Walker, and Hopper) This supports the theory that hyperparameters should be dynamically adjusted during training and shows the potential for more insights on AutoRL problems that can be gained through landscape analyses. Our code can be found at https://github.com/automl/AutoRL-Landscape
Judging whether an integer can be divided by prime numbers such as 2 or 3 may appear trivial to human beings, but can be less straightforward for computers. Here, we tested multiple deep learning architectures and feature engineering approaches on classifying integers based on their residues when divided by small prime numbers. We found that the ability of classification critically depends on the feature space. We also evaluated Automated Machine Learning (AutoML) platforms from Amazon, Google and Microsoft, and found that they failed on this task without appropriately engineered features. Furthermore, we introduced a method that utilizes linear regression on Fourier series basis vectors, and demonstrated its effectiveness. Finally, we evaluated Large Language Models (LLMs) such as GPT-4, GPT-J, LLaMA and Falcon, and demonstrated their failures. In conclusion, feature engineering remains an important task to improve performance and increase interpretability of machine-learning models, even in the era of AutoML and LLMs.
The implementation of a multi-microgrid (MMG) system with multiple renewable energy sources enables the facilitation of electricity trading. To tackle the energy management problem of a MMG system, which consists of multiple renewable energy microgrids belonging to different operating entities, this paper proposes a MMG collaborative optimization scheduling model based on a multi-agent centralized training distributed execution framework. To enhance the generalization ability of dealing with various uncertainties, we also propose an improved multi-agent soft actor-critic (MASAC) algorithm, which facilitates en-ergy transactions between multi-agents in MMG, and employs automated machine learning (AutoML) to optimize the MASAC hyperparameters to further improve the generalization of deep reinforcement learning (DRL). The test results demonstrate that the proposed method successfully achieves power complementarity between different entities, and reduces the MMG system operating cost. Additionally, the proposal significantly outperforms other state-of-the-art reinforcement learning algorithms with better economy and higher calculation efficiency.
Many ML applications and products train on medium amounts of input data but get bottlenecked in real-time inference. When implementing ML systems, conventional wisdom favors segregating ML code into services queried by product code via Remote Procedure Call (RPC) APIs. This approach clarifies the overall software architecture and simplifies product code by abstracting away ML internals. However, the separation adds network latency and entails additional CPU overhead. Hence, we simplify inference algorithms and embed them into the product code to reduce network communication. For public datasets and a high-performance real-time platform that deals with tabular data, we show that over half of the inputs are often amenable to such optimization, while the remainder can be handled by the original model. By applying our optimization with AutoML to both training and inference, we reduce inference latency by 1.3x, CPU resources by 30%, and network communication between application front-end and ML back-end by about 50% for a commercial end-to-end ML platform that serves millions of real-time decisions per second.
Intelligent Transportation Systems are producing tons of hardly manageable traffic data, which motivates the use of Machine Learning (ML) for data-driven applications, such as Traffic Forecasting (TF). TF is gaining relevance due to its ability to mitigate traffic congestion by forecasting future traffic states. However, TF poses one big challenge to the ML paradigm, known as the Model Selection Problem (MSP): deciding the most suitable combination of data preprocessing techniques and ML method for traffic data collected under different transportation circumstances. In this context, Automated Machine Learning (AutoML), the automation of the ML workflow from data preprocessing to model validation, arises as a promising strategy to deal with the MSP in problem domains wherein expert ML knowledge is not always an available or affordable asset, such as TF. Various AutoML frameworks have been used to approach the MSP in TF. Most are based on online optimisation processes to search for the best-performing pipeline on a given dataset. This online optimisation could be complemented with meta-learning to warm-start the search phase and/or the construction of ensembles using pipelines derived from the optimisation process. However, given the complexity of the search space and the high computational cost of tuning-evaluating pipelines generated, online optimisation is only beneficial when there is a long time to obtain the final model. Thus, we introduce AutoEn, which is a simple and efficient method for automatically generating multi-classifier ensembles from a predefined set of ML pipelines. We compare AutoEn against Auto-WEKA and Auto-sklearn, two AutoML methods commonly used in TF. Experimental results demonstrate that AutoEn can lead to better or more competitive results in the general-purpose domain and in TF.
This study proposes a framework for the automated hyperparameter optimization of a bearing fault detection pipeline for permanent magnet synchronous motors (PMSMs) without the need of external sensors. A automated machine learning (AutoML) pipeline search is performed by means of a genetic optimization to reduce human induced bias due to inappropriate parameterizations. For this purpose, a search space is defined, which includes general methods of signal processing and manipulation as well as methods tailored to the respective task and domain. The proposed framework is evaluated on the bearing fault detection use case under real world conditions. Considerations on the generalization of the deployed fault detection pipelines are also taken into account. Likewise, attention was paid to experimental studies for evaluations of the robustness of the fault detection pipeline to variations of the motors working condition parameters between the training and test domain. The present work contributes to the research of fault detection on rotating machinery in the following terms: (1) Reduction of the human induced bias to the data science process, while still considering expert and task related knowledge, ending in a generic search approach (2) tackling the bearing fault detection task without the need for external sensors (sensorless) (3) learning a domain robust fault detection pipeline applicable to varying motor operating parameters without the need of re-parameterizations or fine-tuning (4) investigations on working condition discrepancies with an excessive degree to determine the pipeline limitations regarding the abstraction of the motor parameters and the pipeline hyperparameters