In the era of foundation models, fine-tuning pre-trained models for specific downstream tasks has become crucial. This drives the need for robust fine-tuning methods to address challenges such as model overfitting and sparse labeling. Moleculargraph foundation models (MGFMs) face unique difficulties that complicate fine-tuning. These models are limited by smaller pre-training datasets and more severedata scarcity for downstream tasks, both of which require enhanced model generalization. Moreover, MGFMs must accommodate diverse objectives, including bothregression and classification tasks. To better understand and improve fine-tuningtechniques under these conditions, we classify eight fine-tuning methods into threemechanisms: weight-based, representation-based, and partial fine-tuning.

Learning methods for generic object recognition with invariance to pose and lighting.

However, in certain specialized domains, such as healthcare or harmless content generation, it is nearly impossible to obtain a large volume of high-quality data that matches the downstream distribution.

Each sublayer adds a skip-connection (ADD) and batch normalization (BN). The decoder sequentially chooses a node according to a probability distribution produced by the node embeddings to construct a solution. The scaled symmetric sampling method is shown in Algorithm 2. The scaled factor The uniform division of the weight space is illustrated as follows. Thus, its approximate Pareto optimal solutions are commonly pursued. V ehicles must serve all the customers and finally return to the depot.

Large-scale pre-trained language models have achieved impressive results on a wide range of downstream tasks recently.

In the era of foundation models, fine-tuning pre-trained models for specific downstream tasks has become crucial. This drives the need for robust fine-tuning methods to address challenges such as model overfitting and sparse labeling. Molecular graph foundation models (MGFMs) face unique difficulties that complicate fine-tuning. These models are limited by smaller pre-training datasets and more severe data scarcity for downstream tasks, both of which require enhanced model generalization. Moreover, MGFMs must accommodate diverse objectives, including both regression and classification tasks. To better understand and improve fine-tuning techniques under these conditions, we classify eight fine-tuning methods into three mechanisms: weight-based, representation-based, and partial fine-tuning. We benchmark these methods on downstream regression and classification tasks across supervised and self-supervised pre-trained models in diverse labeling settings. This extensive evaluation provides valuable insights and informs the design of a refined robust fine-tuning method, ROFT-MOL. This approach combines the strengths of simple post-hoc weight interpolation with more complex weight ensemble fine-tuning methods, delivering improved performance across both task types while maintaining the ease of use inherent in post-hoc weight interpolation.