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1. Fair Few-Shot Learning with Auxiliary Sets

   Wang, Song ; Ma, Jing ; Cheng, Lu ; Li, Jundong ( September 2023 , 26th European Conference on Artificial Intelligence)

   Recently, there has been a growing interest in developing machine learning (ML) models that can promote fairness, i.e., eliminating biased predictions towards certain populations (e.g., individuals from a specific demographic group). Most existing works learn such models based on well-designed fairness constraints in optimization. Nevertheless, in many practical ML tasks, only very few labeled data samples can be collected, which can lead to inferior fairness performance. This is because existing fairness constraints are designed to restrict the prediction disparity among different sensitive groups, but with few samples, it becomes difficult to accurately measure the disparity, thus rendering ineffective fairness optimization. In this paper, we define the fairness-aware learning task with limited training samples as the fair few-shot learning problem. To deal with this problem, we devise a novel framework that accumulates fairness-aware knowledge across different meta-training tasks and then generalizes the learned knowledge to meta-test tasks. To compensate for insufficient training samples, we propose an essential strategy to select and leverage an auxiliary set for each meta-test task. These auxiliary sets contain several labeled training samples that can enhance the model performance regarding fairness in meta-test tasks, thereby allowing for the transfer of learned useful fairness-oriented knowledge to meta-test tasks. Furthermore, we conduct extensive experiments on three real-world datasets to validate the superiority of our framework against the state-of-the-art baselines. 

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2. Adaptive Auxiliary Task Weighting for Reinforcement Learning

   Lin, Xingyu ; Baweja, Harjatin Singh ; Kantor, George ; Held, David ( December 2019 , Advances in neural information processing systems)

   Reinforcement learning is known to be sample inefficient, preventing its application to many real-world problems, especially with high dimensional observations like images. Transferring knowledge from other auxiliary tasks is a powerful tool for improving the learning efficiency. However, the usage of auxiliary tasks has been limited so far due to the difficulty in selecting and combining different auxiliary tasks. In this work, we propose a principled online learning algorithm that dynam- ically combines different auxiliary tasks to speed up training for reinforcement learning. Our method is based on the idea that auxiliary tasks should provide gradient directions that, in the long term, help to decrease the loss of the main task. We show in various environments that our algorithm can effectively combine a variety of different auxiliary tasks and achieves significant speedup compared to previous heuristic approaches of adapting auxiliary task weights. 

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3. Enhancing molecular property prediction with auxiliary learning and task-specific adaptation

   https://doi.org/10.1186/s13321-024-00880-7  

   Dey, Vishal ; Ning, Xia ( July 2024 , Journal of Cheminformatics)

   Pretrained Graph Neural Networks have been widely adopted for various molecular property prediction tasks. Despite their ability to encode structural and relational features of molecules, traditional fine-tuning of such pretrained GNNs on the target task can lead to poor generalization. To address this, we explore the adaptation of pretrained GNNs to the target task by jointly training them with multiple auxiliary tasks. This could enable the GNNs to learn both general and task-specific features, which may benefit the target task. However, a major challenge is to determine the relatedness of auxiliary tasks with the target task. To address this, we investigate multiple strategies to measure the relevance of auxiliary tasks and integrate such tasks by adaptively combining task gradients or by learning task weights via bi-level optimization. Additionally, we propose a novel gradient surgery-based approach, Rotation of Conflicting Gradients ($$\mathop {\texttt{RCGrad}}\limits$$$\mathrm{RCGrad}$), that learns to align conflicting auxiliary task gradients through rotation. Our experiments with state-of-the-art pretrained GNNs demonstrate the efficacy of our proposed methods, with improvements of up to 7.7% over fine-tuning. This suggests that incorporating auxiliary tasks along with target task fine-tuning can be an effective way to improve the generalizability of pretrained GNNs for molecular property prediction.

   Scientific contribution

   We introduce a novel framework for adapting pretrained GNNs to molecular tasks using auxiliary learning to address the critical issue of negative transfer. Leveraging novel gradient surgery techniques such as$$\mathop {\texttt{RCGrad}}\limits$$$\mathrm{RCGrad}$, the proposed adaptation framework represents a significant departure from the dominant pretraining fine-tuning approach for molecular GNNs. Our contributions are significant for drug discovery research, especially for tasks with limited data, filling a notable gap in the efficient adaptation of pretrained models for molecular GNNs.

    

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4. Self-supervised Regularization for Text Classification

   https://doi.org/10.1162/tacl_a_00389  

   Zhou, Meng ; Li, Zechen ; Xie, Pengtao ( January 2021 , Transactions of the Association for Computational Linguistics)

   Abstract Text classification is a widely studied problem and has broad applications. In many real-world problems, the number of texts for training classification models is limited, which renders these models prone to overfitting. To address this problem, we propose SSL-Reg, a data-dependent regularization approach based on self-supervised learning (SSL). SSL (Devlin et al., 2019a) is an unsupervised learning approach that defines auxiliary tasks on input data without using any human-provided labels and learns data representations by solving these auxiliary tasks. In SSL-Reg, a supervised classification task and an unsupervised SSL task are performed simultaneously. The SSL task is unsupervised, which is defined purely on input texts without using any human- provided labels. Training a model using an SSL task can prevent the model from being overfitted to a limited number of class labels in the classification task. Experiments on 17 text classification datasets demonstrate the effectiveness of our proposed method. Code is available at https://github.com/UCSD-AI4H/SSReg. 

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5. Learning Hard Optimization Problems: A Data Generation Perspective

   Kotary, James ; Fioretto, Ferdinando ; Van Hentenryck, Pascal ( January 2021 , Advances in Neural Information Processing Systems 34 (NeurIPS 2021))

   Optimization problems are ubiquitous in our societies and are present in almost every segment of the economy. Most of these optimization problems are NP-hard and computationally demanding, often requiring approximate solutions for large-scale instances. Machine learning frameworks that learn to approximate solutions to such hard optimization problems are a potentially promising avenue to address these difficulties, particularly when many closely related problem instances must be solved repeatedly. Supervised learning frameworks can train a model using the outputs of pre-solved instances. However, when the outputs are themselves approximations, when the optimization problem has symmetric solutions, and/or when the solver uses randomization, solutions to closely related instances may exhibit large differences and the learning task can become inherently more difficult. This paper demonstrates this critical challenge, connects the volatility of the training data to the ability of a model to approximate it, and proposes a method for producing (exact or approximate) solutions to optimization problems that are more amenable to supervised learning tasks. The effectiveness of the method is tested on hard non-linear nonconvex and discrete combinatorial problems. 

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