We study the problem of efficiently estimating policies that simultaneously optimize multiple objectives in reinforcement learning (RL). Given n objectives (or tasks), we seek the optimal partition of these objectives into k groups, which is much smaller than n, where each group comprises related objectives that can be trained together. This problem arises in applications such as robotics, control, and preference optimization in language models, where learning a single policy for all n objectives is suboptimal as n grows. We introduce a two-stage procedure — meta-training followed by fine-tuning — to address this problem. We first learn a meta-policy for all objectives using multitask learning. Then, we adapt the meta-policy to multiple randomly sampled subsets of objectives. The adaptation step leverages a first-order approximation property of well-trained policy networks, which is empirically verified to be accurate within a 2% error margin across various RL environments. The resulting algorithm, PolicyGradEx, efficiently estimates an aggregate task-affinity score matrix given a policy evaluation algorithm. Based on the estimated affinity score matrix, we cluster the n objectives into k groups by maximizing the intra-cluster affinity scores. Experiments on three robotic control and the Meta-World benchmarks demonstrate that our approach outperforms state-of-the-art baselines by 16% on average, while delivering up to 26 times faster speedup relative to performing full training to obtain the clusters. Ablation studies validate each component of our approach. For instance, compared with random grouping and gradient-similarity-based grouping, our loss-based clustering yields an improvement of 19%. Finally, we analyze the generalization error of policy networks by measuring the Hessian trace of the loss surface, which gives non-vacuous measures relative to the observed generalization errors.

Algorithmic reasoning---the ability to perform step-by-step logical inference---has become a core benchmark for evaluating reasoning in graph neural networks (GNNs) and large language models (LLMs). Ideally, one would like to design a single model capable of performing well on multiple algorithmic reasoning tasks simultaneously. However, this is challenging when the execution steps of algorithms differ from one another, causing negative interference when they are trained together.

This paper introduces an algorithm to select demonstration examples for in-context learning of a query set.Given a set of n examples, how can we quickly select k out of n to best serve as the conditioning for downstream inference?This problem has broad applications in prompt tuning and chain-of-thought reasoning.Since model weights remain fixed during in-context learning, previous work has sought to design methods based on the similarity of token embeddings.This work proposes a new approach based on gradients of the output taken in the input embedding space.Our approach estimates model outputs through a first-order approximation using the gradients.Then, we apply this estimation to multiple randomly sampled subsets.Finally, we aggregate the sampled subset outcomes to form an influence score for each demonstration, and select k most relevant examples.This procedure only requires precomputing model outputs and gradients once, resulting in a linear-time algorithm relative to model and training set sizes.Extensive experiments across various models and datasets validate the efficiency of our approach.We show that the gradient estimation procedure yields approximations of full inference with less than 1% error across six datasets.This allows us to scale up subset selection that would otherwise run full inference by up to 37.7× on models with up to 34 billion parameters, and outperform existing selection methods based on input embeddings by 11% on average.

In this work, we investigate the problem of out-of-distribution (OOD) generalization for unsupervised learning methods on graph data. To improve the robustness against such distributional shifts, we propose a Model-Agnostic Recipe for Improving OOD generalizability of unsupervised graph contrastive learning methods, which we refer to as MARIO. MARIO introduces two principles aimed at developing distributional-shift-robust graph contrastive methods to overcome the limitations of existing frameworks: (i) Invariance principle that incorporates adversarial graph augmentation to obtain invariant representations and (ii) Information Bottleneck (IB) principle for achieving generalizable representations through refining representation contrasting. To the best of our knowledge, this is the first work that investigates the OOD generalization problem of graph contrastive learning, with a specific focus on node-level tasks. Through extensive experiments, we demonstrate that our method achieves state-of-the-art performance on the OOD test set, while maintaining comparable performance on the in-distribution test set when compared to existing approaches. Our codes are available at: https://github.com/ZhuYun97/MARIO.

Graph self-supervised algorithms have achieved significant success in acquiring generic knowledge from abundant unlabeled graph data. These pre-trained models can be applied to various downstream Web applications, saving training time and improving downstream performance. However, variations in attribute semantics across graphs pose challenges in transferring pre-trained models to downstream tasks. Concretely speaking, for example, the additional task-specific node information in downstream tasks (specificity) is usually deliberately omitted so that the pre-trained representation (transferability) can be leveraged. The trade-off as such is termed as "transferability-specificity dilemma" in this work. To address this challenge, we introduce an innovative deployment module coined as GraphControl, motivated by ControlNet, to realize better graph domain transfer learning. Specifically, by leveraging universal structural pre-trained models and GraphControl, we align the input space across various graphs and incorporate unique characteristics of target data as conditional inputs. These conditions will be progressively integrated into the model during fine-tuning or prompt tuning through ControlNet, facilitating personalized deployment. Extensive experiments show that our method significantly enhances the adaptability of pre-trained models on target attributed datasets, achieving 1.4-3x performance gain. Furthermore, it outperforms training-from-scratch methods on target data with a comparable margin and exhibits faster convergence. Our codes are available at: https://github.com/wykk00/GraphControl.

lbeit having gained significant progress lately, large-scale graph representation learning remains expensive to train and deploy for two main reasons: (i) the repetitive computation of multi-hop message passing and non-linearity in graph neural networks (GNNs); (ii) the computational cost of complex pairwise contrastive learning loss. Two main contributions are made in this paper targeting this twofold challenge: we first propose an adaptive-view graph neural encoder (AVGE) with a limited number of message passing to accelerate the forward pass computation, and then we propose a structure-aware group discrimination (SAGD) loss in our framework which avoids inefficient pairwise loss computing in most common GCL and improves the performance of the simple group discrimination. By the framework proposed, we manage to bring down the training and inference cost on various large-scale datasets by a significant margin (250x faster inference time) without loss of the downstream-task performance.