Topic models are statistical methods that extract underlying topics from document collections. When performing topic modeling, a user usually desires topics that are coherent, diverse between each other, and that constitute good document representations for downstream tasks (e.g. document classification). In this paper, we conduct a multi-objective hyperparameter optimization of three well-known topic models. The obtained results reveal the conflicting nature of different objectives and that the training corpus characteristics are crucial for the hyperparameter selection, suggesting that it is possible to transfer the optimal hyperparameter configurations between datasets.
We analyse a general class of bilevel problems, in which the upper-level problem consists in the minimization of a smooth objective function and the lower-level problem is to find the fixed point of a smooth contraction map. This type of problems include instances of meta-learning, equilibrium models, hyperparameter optimization and data poisoning adversarial attacks. Several recent works have proposed algorithms which warm-start the lower-level problem, i.e.~they use the previous lower-level approximate solution as a staring point for the lower-level solver. This warm-start procedure allows one to improve the sample complexity in both the stochastic and deterministic settings, achieving in some cases the order-wise optimal sample complexity. However, there are situations, e.g., meta learning and equilibrium models, in which the warm-start procedure is not well-suited or ineffective. In this work we show that without warm-start, it is still possible to achieve order-wise (near) optimal sample complexity. In particular, we propose a simple method which uses (stochastic) fixed point iterations at the lower-level and projected inexact gradient descent at the upper-level, that reaches an $\epsilon$-stationary point using $O(\epsilon^{-2})$ and $\tilde{O}(\epsilon^{-1})$ samples for the stochastic and the deterministic setting, respectively. Finally, compared to methods using warm-start, our approach yields a simpler analysis that does not need to study the coupled interactions between the upper-level and lower-level iterates.
This manuscript introduces an autotuned algorithm for searching nearest neighbors based on neighbor graphs and optimization metaheuristics to produce Pareto-optimal searches for quality and search speed automatically; the same strategy is also used to produce indexes that achieve a minimum quality. Our approach is described and benchmarked with other state-of-the-art similarity search methods, showing convenience and competitiveness.
In recent years, people from all over the world are suffering from one of the most severe diseases in history, known as Coronavirus disease 2019, COVID-19 for short. When the virus reaches the lungs, it has a higher probability to cause lung pneumonia and sepsis. X-ray image is a powerful tool in identifying the typical features of the infection for COVID-19 patients. The radiologists and pathologists observe that ground-glass opacity appears in the chest X-ray for infected patient \cite{cozzi2021ground}, and it could be used as one of the criteria during the diagnosis process. In the past few years, deep learning has proven to be one of the most powerful methods in the field of image classification. Due to significant differences in Chest X-Ray between normal and infected people \cite{rousan2020chest}, deep models could be used to identify the presence of the disease given a patient's Chest X-Ray. Many deep models are complex, and it evolves with lots of input parameters. Designers sometimes struggle with the tuning process for deep models, especially when they build up the model from scratch. Genetic Algorithm, inspired by the biological evolution process, plays a key role in solving such complex problems. In this paper, I proposed a genetic-based approach to optimize the Convolutional Neural Network(CNN) for the Chest X-Ray classification task.
We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to evaluate raw descriptor performance by limiting model complexity to simple regression schemes while enforcing best ML practices, allowing for unbiased hyperparameter optimization, and assessing learning progress through learning curves along series of synchronized train-test splits. The resulting models are intended as baselines that can inform future method development, next to indicating how easily a given dataset can be learnt. Through a comparative analysis of the training outcome across a diverse set of physicochemical, topological and geometric representations, we glean insight into the relative merits of these representations as well as their interrelatedness.
Automated hyperparameter optimization (HPO) has gained great popularity and is an important ingredient of most automated machine learning frameworks. The process of designing HPO algorithms, however, is still an unsystematic and manual process: Limitations of prior work are identified and the improvements proposed are -- even though guided by expert knowledge -- still somewhat arbitrary. This rarely allows for gaining a holistic understanding of which algorithmic components are driving performance, and carries the risk of overlooking good algorithmic design choices. We present a principled approach to automated benchmark-driven algorithm design applied to multifidelity HPO (MF-HPO): First, we formalize a rich space of MF-HPO candidates that includes, but is not limited to common HPO algorithms, and then present a configurable framework covering this space. To find the best candidate automatically and systematically, we follow a programming-by-optimization approach and search over the space of algorithm candidates via Bayesian optimization. We challenge whether the found design choices are necessary or could be replaced by more naive and simpler ones by performing an ablation analysis. We observe that using a relatively simple configuration, in some ways simpler than established methods, performs very well as long as some critical configuration parameters have the right value.
Quantum kernel methods are considered a promising avenue for applying quantum computers to machine learning problems. Identifying hyperparameters controlling the inductive bias of quantum machine learning models is expected to be crucial given the central role hyperparameters play in determining the performance of classical machine learning methods. In this work we introduce the hyperparameter controlling the bandwidth of a quantum kernel and show that it controls the expressivity of the resulting model. We use extensive numerical experiments with multiple quantum kernels and classical datasets to show consistent change in the model behavior from underfitting (bandwidth too large) to overfitting (bandwidth too small), with optimal generalization in between. We draw a connection between the bandwidth of classical and quantum kernels and show analogous behavior in both cases. Furthermore, we show that optimizing the bandwidth can help mitigate the exponential decay of kernel values with qubit count, which is the cause behind recent observations that the performance of quantum kernel methods decreases with qubit count. We reproduce these negative results and show that if the kernel bandwidth is optimized, the performance instead improves with growing qubit count and becomes competitive with the best classical methods.
Automated hyperparameter optimization (HPO) can support practitioners to obtain peak performance in machine learning models. However, there is often a lack of valuable insights into the effects of different hyperparameters on the final model performance. This lack of explainability makes it difficult to trust and understand the automated HPO process and its results. We suggest using interpretable machine learning (IML) to gain insights from the experimental data obtained during HPO with Bayesian optimization (BO). BO tends to focus on promising regions with potential high-performance configurations and thus induces a sampling bias. Hence, many IML techniques, such as the partial dependence plot (PDP), carry the risk of generating biased interpretations. By leveraging the posterior uncertainty of the BO surrogate model, we introduce a variant of the PDP with estimated confidence bands. We propose to partition the hyperparameter space to obtain more confident and reliable PDPs in relevant sub-regions. In an experimental study, we provide quantitative evidence for the increased quality of the PDPs within sub-regions.
The rapid proliferation of machine learning models across domains and deployment settings has given rise to various communities (e.g. industry practitioners) which seek to benchmark models across tasks and objectives of personal value. Unfortunately, these users cannot use standard benchmark results to perform such value-driven comparisons as traditional benchmarks evaluate models on a single objective (e.g. average accuracy) and fail to facilitate a standardized training framework that controls for confounding variables (e.g. computational budget), making fair comparisons difficult. To address these challenges, we introduce the open-source Ludwig Benchmarking Toolkit (LBT), a personalized benchmarking toolkit for running end-to-end benchmark studies (from hyperparameter optimization to evaluation) across an easily extensible set of tasks, deep learning models, datasets and evaluation metrics. LBT provides a configurable interface for controlling training and customizing evaluation, a standardized training framework for eliminating confounding variables, and support for multi-objective evaluation. We demonstrate how LBT can be used to create personalized benchmark studies with a large-scale comparative analysis for text classification across 7 models and 9 datasets. We explore the trade-offs between inference latency and performance, relationships between dataset attributes and performance, and the effects of pretraining on convergence and robustness, showing how LBT can be used to satisfy various benchmarking objectives.
While Weighted Lasso sparse regression has appealing statistical guarantees that would entail a major real-world impact in finance, genomics, and brain imaging applications, it is typically scarcely adopted due to its complex high-dimensional space composed by thousands of hyperparameters. On the other hand, the latest progress with high-dimensional hyperparameter optimization (HD-HPO) methods for black-box functions demonstrates that high-dimensional applications can indeed be efficiently optimized. Despite this initial success, HD-HPO approaches are mostly applied to synthetic problems with a moderate number of dimensions, which limits its impact in scientific and engineering applications. We propose LassoBench, the first benchmark suite tailored for Weighted Lasso regression. LassoBench consists of benchmarks for both well-controlled synthetic setups (number of samples, noise level, ambient and effective dimensionalities, and multiple fidelities) and real-world datasets, which enables the use of many flavors of HPO algorithms to be studied and extended to the high-dimensional Lasso setting. We evaluate 6 state-of-the-art HPO methods and 3 Lasso baselines, and demonstrate that Bayesian optimization and evolutionary strategies can improve over the methods commonly used for sparse regression while highlighting limitations of these frameworks in very high-dimensional and noisy settings.
In this paper, we describe our method for tackling the automated hyperparameter optimization challenge in QQ Browser 2021 AI Algorithm Competiton (ACM CIKM 2021 AnalyticCup Track 2). The competition organizers provide anonymized realistic industrial tasks and datasets for black-box optimization. Based on our open-sourced package OpenBox, we adopt the Bayesian optimization framework for configuration sampling and a heuristic early stopping strategy. We won first place in both the preliminary and final contests with the results of 0.938291 and 0.918753, respectively.
HyperParameter Optimization (HPO) aims at finding the best HyperParameters (HPs) of learning models, such as neural networks, in the fastest and most efficient way possible. Most recent HPO algorithms try to optimize HPs regardless of the model that obtained them, assuming that for different models, same HPs will produce very similar results. We break free from this paradigm and propose a new take on preexisting methods that we called Genealogical Population Based Training (GPBT). GPBT, via the shared histories of "genealogically"-related models, exploit the coupling of HPs and models in an efficient way. We experimentally demonstrate that our method cuts down by 2 to 3 times the computational cost required, generally allows a 1% accuracy improvement on computer vision tasks, and reduces the variance of the results by an order of magnitude, compared to the current algorithms. Our method is search-algorithm agnostic so that the inner search routine can be any search algorithm like TPE, GP, CMA or random search.
Algorithm parameters, in particular hyperparameters of machine learning algorithms, can substantially impact their performance. To support users in determining well-performing hyperparameter configurations for their algorithms, datasets and applications at hand, SMAC3 offers a robust and flexible framework for Bayesian Optimization, which can improve performance within a few evaluations. It offers several facades and pre-sets for typical use cases, such as optimizing hyperparameters, solving low dimensional continuous (artificial) global optimization problems and configuring algorithms to perform well across multiple problem instances. The SMAC3 package is available under a permissive BSD-license at https://github.com/automl/SMAC3.
Transformer-based language models such as BERT have outperformed previous models on a large number of English benchmarks, but their evaluation is often limited to English or a small number of well-resourced languages. In this work, we evaluate monolingual, multilingual, and randomly initialized language models from the BERT family on a variety of Uralic languages including Estonian, Finnish, Hungarian, Erzya, Moksha, Karelian, Livvi, Komi Permyak, Komi Zyrian, Northern S\'ami, and Skolt S\'ami. When monolingual models are available (currently only et, fi, hu), these perform better on their native language, but in general they transfer worse than multilingual models or models of genetically unrelated languages that share the same character set. Remarkably, straightforward transfer of high-resource models, even without special efforts toward hyperparameter optimization, yields what appear to be state of the art POS and NER tools for the minority Uralic languages where there is sufficient data for finetuning.
To achieve peak predictive performance, hyperparameter optimization (HPO) is a crucial component of machine learning and its applications. Over the last years, the number of efficient algorithms and tools for HPO grew substantially. At the same time, the community is still lacking realistic, diverse, computationally cheap, and standardized benchmarks. This is especially the case for multi-fidelity HPO methods. To close this gap, we propose HPOBench, which includes 7 existing and 5 new benchmark families, with a total of more than 100 multi-fidelity benchmark problems. HPOBench allows to run this extendable set of multi-fidelity HPO benchmarks in a reproducible way by isolating and packaging the individual benchmarks in containers. It also provides surrogate and tabular benchmarks for computationally affordable yet statistically sound evaluations. To demonstrate HPOBench's broad compatibility with various optimization tools, as well as its usefulness, we conduct an exemplary large-scale study evaluating 13 optimizers from 6 optimization tools. We provide HPOBench here: https://github.com/automl/HPOBench.
When developing and analyzing new hyperparameter optimization methods, it is vital to empirically evaluate and compare them on well-curated benchmark suites. In this work, we propose a new set of challenging and relevant benchmark problems motivated by desirable properties and requirements for such benchmarks. Our new surrogate-based benchmark collection consists of 14 scenarios that in total constitute over 700 multi-fidelity hyperparameter optimization problems, which all enable multi-objective hyperparameter optimization. Furthermore, we empirically compare surrogate-based benchmarks to the more widely-used tabular benchmarks, and demonstrate that the latter may produce unfaithful results regarding the performance ranking of HPO methods. We examine and compare our benchmark collection with respect to defined requirements and propose a single-objective as well as a multi-objective benchmark suite on which we compare 7 single-objective and 7 multi-objective optimizers in a benchmark experiment. Our software is available at [https://github.com/slds-lmu/yahpo_gym].
The training of neural networks using different deep learning frameworks may lead to drastically differing accuracy levels despite the use of the same neural network architecture and identical training hyperparameters such as learning rate and choice of optimization algorithms. Currently, our ability to build standardized deep learning models is limited by the availability of a suite of neural network and corresponding training hyperparameter benchmarks that expose differences between existing deep learning frameworks. In this paper, we present a living dataset of models and hyperparameters, called CrossedWires, that exposes semantic differences between two popular deep learning frameworks: PyTorch and Tensorflow. The CrossedWires dataset currently consists of models trained on CIFAR10 images using three different computer vision architectures: VGG16, ResNet50 and DenseNet121 across a large hyperparameter space. Using hyperparameter optimization, each of the three models was trained on 400 sets of hyperparameters suggested by the HyperSpace search algorithm. The CrossedWires dataset includes PyTorch and Tensforflow models with test accuracies as different as 0.681 on syntactically equivalent models and identical hyperparameter choices. The 340 GB dataset and benchmarks presented here include the performance statistics, training curves, and model weights for all 1200 hyperparameter choices, resulting in 2400 total models. The CrossedWires dataset provides an opportunity to study semantic differences between syntactically equivalent models across popular deep learning frameworks. Further, the insights obtained from this study can enable the development of algorithms and tools that improve reliability and reproducibility of deep learning frameworks. The dataset is freely available at https://github.com/maxzvyagin/crossedwires through a Python API and direct download link.
Predicting clinical outcomes from medical images using quantitative features (``radiomics'') requires many method design choices, Currently, in new clinical applications, finding the optimal radiomics method out of the wide range of methods relies on a manual, heuristic trial-and-error process. We introduce a novel automated framework that optimizes radiomics workflow construction per application by standardizing the radiomics workflow in modular components, including a large collection of algorithms for each component, and formulating a combined algorithm selection and hyperparameter optimization problem. To solve it, we employ automated machine learning through two strategies (random search and Bayesian optimization) and three ensembling approaches. Results show that a medium-sized random search and straight-forward ensembling perform similar to more advanced methods while being more efficient. Validated across twelve clinical applications, our approach outperforms both a radiomics baseline and human experts. Concluding, our framework improves and streamlines radiomics research by fully automatically optimizing radiomics workflow construction. To facilitate reproducibility, we publicly release six datasets, software of the method, and code to reproduce this study.
Tuning the hyperparameters in the differentially private stochastic gradient descent (DPSGD) is a fundamental challenge. Unlike the typical SGD, private datasets cannot be used many times for hyperparameter search in DPSGD; e.g., via a grid search. Therefore, there is an essential need for algorithms that, within a given search space, can find near-optimal hyperparameters for the best achievable privacy-utility tradeoffs efficiently. We formulate this problem into a general optimization framework for establishing a desirable privacy-utility tradeoff, and systematically study three cost-effective algorithms for being used in the proposed framework: evolutionary, Bayesian, and reinforcement learning. Our experiments, for hyperparameter tuning in DPSGD conducted on MNIST and CIFAR-10 datasets, show that these three algorithms significantly outperform the widely used grid search baseline. As this paper offers a first-of-a-kind framework for hyperparameter tuning in DPSGD, we discuss existing challenges and open directions for future studies. As we believe our work has implications to be utilized in the pipeline of private deep learning, we open-source our code at https://github.com/AmanPriyanshu/DP-HyperparamTuning.
Graphs can be used to describe complex systems. Recently, whole graph embedding (graph representation learning) can compress a graph into a compact lower-dimension vector while preserving intrinsic properties, earning much attention. However, most graph embedding methods have problems such as tedious parameter tuning or poor explanation. This paper presents a simple and hyperparameter-free whole graph embedding method based on the DHC (Degree, H-index, and Coreness) theorem and Shannon Entropy (E), abbreviated as DHC-E. The DHC-E can provide a trade-off between simplicity and quality for supervised classification learning tasks involving molecular, social, and brain networks. Moreover, it performs well in lower-dimensional graph visualization. Overall, the DHC-E is simple, hyperparameter-free, and explainable for whole graph embedding with promising potential for exploring graph classification and lower-dimensional graph visualization.