Message passing-based graph neural networks (GNNs) have achieved great success in many real-world applications. For a sampled mini-batch of target nodes, the message passing process is divided into two parts: message passing between nodes within the batch (MP-IB) and message passing from nodes outside the batch to those within it (MP-OB). However, MP-OB recursively relies on higher-order out-of-batch neighbors, leading to an exponentially growing computational cost with respect to the number of layers. Due to the neighbor explosion, the whole message passing stores most nodes and edges on the GPU such that many GNNs are infeasible to large-scale graphs. To address this challenge, we propose an accurate and fast mini-batch approach for large graph transductive learning, namely topological compensation (TOP), which obtains the outputs of the whole message passing solely through MP-IB, without the costly MP-OB. The major pillar of TOP is a novel concept of message invariance, which defines message-invariant transformations to convert costly MP-OB into fast MP-IB. This ensures that the modified MP-IB has the same output as the whole message passing. Experiments demonstrate that TOP is significantly faster than existing mini-batch methods by order of magnitude on vast graphs (millions of nodes and billions of edges) with limited accuracy degradation.

Preference alignment is pivotal for empowering large language models (LLMs) to generate helpful and harmless responses. However, the performance of preference alignment is highly sensitive to the prevalent noise in the preference data. Recent efforts for this problem either marginally alleviate the impact of noise without the ability to actually reduce its presence, or rely on costly teacher LLMs prone to reward misgeneralization. To address these challenges, we propose the RObust Preference Optimization (ROPO) framework, an iterative alignment approach that integrates noise-tolerance and filtering of noisy samples without the aid of external models. Specifically, ROPO iteratively solves a constrained optimization problem, where we dynamically assign a quality-aware weight for each sample and constrain the sum of the weights to the number of samples we intend to retain. For noise-tolerant training and effective noise identification, we derive a robust loss by suppressing the gradients of samples with high uncertainty. We demonstrate both empirically and theoretically that the derived loss is critical for distinguishing noisy samples from clean ones. Furthermore, inspired by our derived loss, we propose a robustness-guided rejection sampling technique to compensate for the potential important information in discarded queries. Experiments on three widely-used datasets with Mistral-7B and Llama-2-7B demonstrate that ROPO significantly outperforms existing preference alignment methods, with its superiority growing as the noise rate increases.

Cutting planes (cuts) play an important role in solving mixed-integer linear programs (MILPs), which formulate many important real-world applications. Cut selection heavily depends on (P1) which cuts to prefer and (P2) how many cuts to select. Although modern MILP solvers tackle (P1)-(P2) by human-designed heuristics, machine learning carries the potential to learn more effective heuristics. However, many existing learning-based methods learn which cuts to prefer, neglecting the importance of learning how many cuts to select. Moreover, we observe that (P3) what order of selected cuts to prefer significantly impacts the efficiency of MILP solvers as well. To address these challenges, we propose a novel hierarchical sequence/set model (HEM) to learn cut selection policies. Specifically, HEM is a bi-level model: (1) a higher-level module that learns how many cuts to select, (2) and a lower-level module -- that formulates the cut selection as a sequence/set to sequence learning problem -- to learn policies selecting an ordered subset with the cardinality determined by the higher-level module. To the best of our knowledge, HEM is the first data-driven methodology that well tackles (P1)-(P3) simultaneously. Experiments demonstrate that HEM significantly improves the efficiency of solving MILPs on eleven challenging MILP benchmarks, including two Huawei's real problems.

Node representation learning on attributed graphs -- whose nodes are associated with rich attributes (e.g., texts and protein sequences) -- plays a crucial role in many important downstream tasks. To encode the attributes and graph structures simultaneously, recent studies integrate pre-trained models with graph neural networks (GNNs), where pre-trained models serve as node encoders (NEs) to encode the attributes. As jointly training large NEs and GNNs on large-scale graphs suffers from severe scalability issues, many methods propose to train NEs and GNNs separately. Consequently, they do not take feature convolutions in GNNs into consideration in the training phase of NEs, leading to a significant learning bias from that by the joint training. To address this challenge, we propose an efficient label regularization technique, namely Label Deconvolution (LD), to alleviate the learning bias by a novel and highly scalable approximation to the inverse mapping of GNNs. The inverse mapping leads to an objective function that is equivalent to that by the joint training, while it can effectively incorporate GNNs in the training phase of NEs against the learning bias. More importantly, we show that LD converges to the optimal objective function values by thejoint training under mild assumptions. Experiments demonstrate LD significantly outperforms state-of-the-art methods on Open Graph Benchmark datasets.

Subgraph-wise sampling -- a promising class of mini-batch training techniques for graph neural networks (GNNs -- is critical for real-world applications. During the message passing (MP) in GNNs, subgraph-wise sampling methods discard messages outside the mini-batches in backward passes to avoid the well-known neighbor explosion problem, i.e., the exponentially increasing dependencies of nodes with the number of MP iterations. However, discarding messages may sacrifice the gradient estimation accuracy, posing significant challenges to their convergence analysis and convergence speeds. To address this challenge, we propose a novel subgraph-wise sampling method with a convergence guarantee, namely Local Message Compensation (LMC). To the best of our knowledge, LMC is the first subgraph-wise sampling method with provable convergence. The key idea is to retrieve the discarded messages in backward passes based on a message passing formulation of backward passes. By efficient and effective compensations for the discarded messages in both forward and backward passes, LMC computes accurate mini-batch gradients and thus accelerates convergence. Moreover, LMC is applicable to various MP-based GNN architectures, including convolutional GNNs (finite message passing iterations with different layers) and recurrent GNNs (infinite message passing iterations with a shared layer). Experiments on large-scale benchmarks demonstrate that LMC is significantly faster than state-of-the-art subgraph-wise sampling methods.

Generalization in partially observed markov decision processes (POMDPs) is critical for successful applications of visual reinforcement learning (VRL) in real scenarios. A widely used idea is to learn task-relevant representations that encode task-relevant information of common features in POMDPs, i.e., rewards and transition dynamics. As transition dynamics in the latent state space -- which are task-relevant and invariant to visual distractions -- are unknown to the agents, existing methods alternatively use transition dynamics in the observation space to extract task-relevant information in transition dynamics. However, such transition dynamics in the observation space involve task-irrelevant visual distractions, degrading the generalization performance of VRL methods. To tackle this problem, we propose the reward sequence distribution conditioned on the starting observation and the predefined subsequent action sequence (RSD-OA). The appealing features of RSD-OA include that: (1) RSD-OA is invariant to visual distractions, as it is conditioned on the predefined subsequent action sequence without task-irrelevant information from transition dynamics, and (2) the reward sequence captures long-term task-relevant information in both rewards and transition dynamics. Experiments demonstrate that our representation learning approach based on RSD-OA significantly improves the generalization performance on unseen environments, outperforming several state-of-the-arts on DeepMind Control tasks with visual distractions.

The message passing-based graph neural networks (GNNs) have achieved great success in many real-world applications. However, training GNNs on large-scale graphs suffers from the well-known neighbor explosion problem, i.e., the exponentially increasing dependencies of nodes with the number of message passing layers. Subgraph-wise sampling methods--a promising class of mini-batch training techniques--discard messages outside the mini-batches in backward passes to avoid the neighbor explosion problem at the expense of gradient estimation accuracy. This poses significant challenges to their convergence analysis and convergence speeds, which seriously limits their reliable real-world applications. To address this challenge, we propose a novel subgraph-wise sampling method with a convergence guarantee, namely Local Message C ompensation (LMC). To the best of our knowledge, LMC is the first subgraph-wise sampling method with provable convergence. The key idea of LMC is to retrieve the discarded messages in backward passes based on a message passing formulation of backward passes. By efficient and effective compensations for the discarded messages in both forward and backward passes, LMC computes accurate mini-batch gradients and thus accelerates convergence. Experiments on large-scale benchmark tasks demonstrate that LMC significantly outperforms state-of-the-art subgraph-wise sampling methods in terms of efficiency. Graph neural networks (GNNs) are powerful frameworks that generate node embeddings for graphs via the iterative message passing (MP) scheme (Hamilton, 2020). At each MP layer, GNNs aggregate messages from each node's neighborhood and then update node embeddings based on aggregation results. Such a scheme has achieved great success in many real-world applications involving graph-structured data, such as search engines (Brin & Page, 1998), recommendation systems (Fan et al., 2019), materials engineering (Gostick et al., 2016), and molecular property prediction (Moloi & Ali, 2005; Kearnes et al., 2016).