Skip to main content
. 2023 Jul 24;36(8):1290–1299. doi: 10.1021/acs.chemrestox.3c00028

Table 2. Overview of the Selected Models.

Model Description
RF23 A random forest (RF) classifier is a machine learning algorithm that combines the output of multiple decision trees to produce a single result. In more detail, it fits a number of decision tree classifiers on a collection of subsamples from the data set and uses averaging to improve predictive accuracy and control overfitting.
SVM24 A support vector machine (SVM) is a supervised machine learning algorithm that is primarily used for classification problems. In this algorithm, each data item is plotted as a point in n-dimensional space, representing each feature as a coordinate. Then, the algorithm finds the optimal decision boundary (i.e., the hyperplane) to separate the various classes by using the extreme points/vectors (i.e., the support vectors).
BERT18 BERT, which stands for Bidirectional Encoder Representations from Transformers, is a general-purpose language model that was pretrained on the BookCorpus (800 M words) and English Wikipedia (2500M) data sets. By employing the use of self-attention mechanisms, BERT can be fine-tuned with additional layers to complete new tasks with new data, making it a foundation for many transformer-based language models. At the time of its release, BERT achieved state-of-the-art performance for several tasks of the General Language Understanding Evaluation (GLUE) benchmark. The base model is composed of approximately 100 million parameters.
ALBERT20 ALBERT, or A Lite BERT, addresses the problems of memory limitation and lengthy training times by modifying BERT through the incorporation of the parameter reduction techniques of factorized embedding parametrization and cross-later parameter sharing. Despite having much fewer parameters (i.e., only 12 million parameters in the base model), ALBERT experiences minimal loss in language understanding, performing almost equally to BERT for the GLUE benchmark.
DistilBERT21 DistilBERT, a distilled version of BERT, addresses concerns about the computational efficiency of large transformer-based language models by applying knowledge distillation during BERT’s pretraining phase. This method reduced the size of BERT by 40%, while retaining 97% of its language understanding capabilities and being 60% faster.
RoBERTa22 RoBERTa, a robustly optimized BERT pretraining approach, modifies BERT by training the model longer and with more data, training on longer sequences, and dynamically changing the masking pattern applied to the training data. In more detail, this model’s training data is composed of the BookCorpus and English Wikipedia (16GB), CC-News (76GB), OpenWebText (38GB), and Stories (31GB) data sets. With these modifications, RoBERTa improved on the results obtained by BERT, achieving several state-of-the-art results. The base model is composed of approximately 110 million parameters.