Graph neural networks (GNNs) have found extensive applications in learning from graph data. However, real-world graphs often possess diverse structures and comprise nodes and edges of varying types. To bolster the generalization capacity of GNNs, it has become customary to augment training graph structures through techniques like graph augmentations and large-scale pre-training on a wider array of graphs. Balancing this diversity while avoiding increased computational costs and the notorious trainability issues of GNNs is crucial. This study introduces the concept of Mixture-of-Experts (MoE) to GNNs, with the aim of augmenting their capacity to adapt to a diverse range of training graph structures, without incurring explosive computational overhead. The proposed Graph Mixture of Experts (GMoE) model empowers individual nodes in the graph to dynamically and adaptively select more general information aggregation experts. These experts are trained to capture distinct subgroups of graph structures and to incorporate information with varying hop sizes, where those with larger hop sizes specialize in gathering information over longer distances. The effectiveness of GMoE is validated through a series of experiments on a diverse set of tasks, including graph, node, and link prediction, using the OGB benchmark. Notably, it enhances ROC-AUC by 1.81% in ogbg-molhiv and by 1.40% in ogbg-molbbbp, when compared to the non-MoE baselines.

Complex visual reasoning and question answering (VQA) is a challenging task that requires compositional multi-step processing and higher-level reasoning capabilities beyond the immediate recognition and localization of objects and events. Here, we introduce a fully neural Iterative and Parallel Reasoning Mechanism (IPRM) that combines two distinct forms of computation -- iterative and parallel -- to better address complex VQA scenarios. Specifically, IPRM's "iterative" computation facilitates compositional step-by-step reasoning for scenarios wherein individual operations need to be computed, stored, and recalled dynamically (e.g. when computing the query "determine the color of pen to the left of the child in red t-shirt sitting at the white table"). Meanwhile, its "parallel'' computation allows for the simultaneous exploration of different reasoning paths and benefits more robust and efficient execution of operations that are mutually independent (e.g. when counting individual colors for the query: "determine the maximum occurring color amongst all t-shirts'"). We design IPRM as a lightweight and fully-differentiable neural module that can be conveniently applied to both transformer and non-transformer vision-language backbones. It notably outperforms prior task-specific methods and transformer-based attention modules across various image and video VQA benchmarks testing distinct complex reasoning capabilities such as compositional spatiotemporal reasoning (AGQA), situational reasoning (STAR), multi-hop reasoning generalization (CLEVR-Humans) and causal event linking (CLEVRER-Humans).

We study the multi-step off-policy learning approach to distributional RL. Despite the apparent similarity between value-based RL and distributional RL, our study reveals intriguing and fundamental differences between the two cases in the multistep setting. We identify a novel notion of path-dependent distributional TD error, which is indispensable for principled multi-step distributional RL. The distinction from the value-based case bears important implications on concepts such as backward-view algorithms. Our work provides the first theoretical guarantees on multi-step off-policy distributional RL algorithms, including results that apply to the small number of existing approaches to multi-step distributional RL. In addition, we derive a novel algorithm, Quantile Regression-Retrace, which leads to a deep RL agent QR-DQN-Retrace that shows empirical improvements over QR-DQN on the Atari-57 benchmark. Collectively, we shed light on how unique challenges in multi-step distributional RL can be addressed both in theory and practice.

The inner workings of neural networks can be better understood if we can fully decipher the information encoded in neural activations. In this paper, we argue that this information is embodied by the subset of inputs that give rise to similar activations. We propose InversionView, which allows us to practically inspect this subset by sampling from a trained decoder model conditioned on activations. This helps uncover the information content of activation vectors, and facilitates understanding of the algorithms implemented by transformer models. We present four case studies where we investigate models ranging from small transformers to GPT-2. In these studies, we show that InversionView can reveal clear information contained in activations, including basic information about tokens appearing in the context, as well as more complex information, such as the count of certain tokens, their relative positions, and abstract knowledge about the subject. We also provide causally verified circuits to confirm the decoded information.

This document provides several pieces of meta-information about the MLFMF data set collection, as well as some additional details and results from the experiments. For a detailed description of the preprocessing scripts and the script for running the model, please refer to the README in the repository. However, due to space limitations, all the preprocessed data can be found at https://doi.org/10.5281/zenodo.10041075, We obtained the source code of the libraries from their publicly available GitHub repositories. At the time of collection, we retrieved the latest versions of the libraries, which are specified in Table 1.