We investigate the representation power of graph neural networks in the semi-supervised node classification task under heterophily or low homophily, i.e., in networks where connected nodes may have different class labels and dissimilar features. Many popular GNNs fail to generalize to this setting, and are even outperformed by models that ignore the graph structure (e.g., multilayer perceptrons). Motivated by this limitation, we identify a set of key designs--ego-and neighbor-embedding separation, higher-order neighborhoods, and combination of intermediate representations--that boost learning from the graph structure under heterophily. We combine them into a graph neural network, H2GCN, which we use as the base method to empirically evaluate the effectiveness of the identified designs. Going beyond the traditional benchmarks with strong homophily, our empirical analysis shows that the identified designs increase the accuracy of GNNs by up to 40% and 27% over models without them on synthetic and real networks with heterophily, respectively, and yield competitive performance under homophily.

We show that passing input points through a simple Fourier feature mapping enables a multilayer perceptron (MLP) to learn high-frequency functions in low-dimensional problem domains. These results shed light on recent advances in computer vision and graphics that achieve state-of-the-art results by using MLPs to represent complex 3D objects and scenes. Using tools from the neural tangent kernel (NTK) literature, we show that a standard MLP has impractically slow convergence to high frequency signal components. To overcome this spectral bias, we use a Fourier feature mapping to transform the effective NTK into a stationary kernel with a tunable bandwidth. We suggest an approach for selecting problem-specific Fourier features that greatly improves the performance of MLPs for low-dimensional regression tasks relevant to the computer vision and graphics communities.

Learning predictive models from observations using deep neural networks (DNNs) is a promising new approach to many real-world planning and control problems. However, common DNNs are too unstructured for effective planning, and current control methods typically rely on extensive sampling or local gradient descent. In this paper, we propose a new framework for integrated model learning and predictive control that is amenable to efficient optimization algorithms. Specifically, we start with a ReLU neural model of the system dynamics and, with minimal losses in prediction accuracy, we gradually sparsify it by removing redundant neurons. This discrete sparsification process is approximated as a continuous problem, enabling an end-to-end optimization of both the model architecture and the weight parameters. The sparsified model is subsequently used by a mixed-integer predictive controller, which represents the neuron activations as binary variables and employs efficient branch-and-bound algorithms. Our framework is applicable to a wide variety of DNNs, from simple multilayer perceptrons to complex graph neural dynamics. It can efficiently handle tasks involving complicated contact dynamics, such as object pushing, compositional object sorting, and manipulation of deformable objects. Numerical and hardware experiments show that, despite the aggressive sparsification, our framework can deliver better closed-loop performance than existing state-of-the-art methods.

Reinforcement Learning (RL) encompasses diverse paradigms, including model-based RL, policy-based RL, and value-based RL, each tailored to approximate the model, optimal policy, and optimal value function, respectively. This work investigates the potential hierarchy of representation complexity among these RL paradigms. By utilizing computational complexity measures, including time complexity and circuit complexity, we theoretically unveil a potential representation complexity hierarchy within RL. We find that representing the model emerges as the easiest task, followed by the optimal policy, while representing the optimal value function presents the most intricate challenge. Additionally, we reaffirm this hierarchy from the perspective of the expressiveness of Multi-Layer Perceptrons (MLPs), which align more closely with practical deep RL and contribute to a completely new perspective in theoretical studying representation complexity in RL. Finally, we conduct deep RL experiments to validate our theoretical findings.

This paper studies the problem of designing compact binary architectures for vision multi-layer perceptrons (MLPs). We provide extensive analysis on the difficulty of binarizing vision MLPs and find that previous binarization methods perform poorly due to limited capacity of binary MLPs. In contrast with the traditional CNNs that utilizing convolutional operations with large kernel size, fully-connected (FC) layers in MLPs can be treated as convolutional layers with kernel size $1\times1$. Thus, the representation ability of the FC layers will be limited when being binarized, and places restrictions on the capability of spatial mixing and channel mixing on the intermediate features. To this end, we propose to improve the performance of binary MLP (BiMLP) model by enriching the representation ability of binary FC layers. We design a novel binary block that contains multiple branches to merge a series of outputs from the same stage, and also a universal shortcut connection that encourages the information flow from the previous stage. The downsampling layers are also carefully designed to reduce the computational complexity while maintaining the classification performance.

We propose a novel normal estimation method called HSurf-Net, which can accurately predict normals from point clouds with noise and density variations. Previous methods focus on learning point weights to fit neighborhoods into a geometric surface approximated by a polynomial function with a predefined order, based on which normals are estimated. However, fitting surfaces explicitly from raw point clouds suffers from overfitting or underfitting issues caused by inappropriate polynomial orders and outliers, which significantly limits the performance of existing methods. To address these issues, we introduce hyper surface fitting to implicitly learn hyper surfaces, which are represented by multi-layer perceptron (MLP) layers that take point features as input and output surface patterns in a high dimensional feature space. We introduce a novel space transformation module, which consists of a sequence of local aggregation layers and global shift layers, to learn an optimal feature space, and a relative position encoding module to effectively convert point clouds into the learned feature space. Our model learns hyper surfaces from the noise-less features and directly predicts normal vectors. We jointly optimize the MLP weights and module parameters in a data-driven manner to make the model adaptively find the most suitable surface pattern for various points. Experimental results show that our HSurf-Net achieves the state-of-the-art performance on the synthetic shape dataset, the real-world indoor and outdoor scene datasets. The code, data and pretrained models are publicly available.

Recent advances in self-attention and pure multi-layer perceptrons (MLP) models for vision have shown great potential in achieving promising performance with fewer inductive biases. These models are generally based on learning interaction among spatial locations from raw data. The complexity of self-attention and MLP grows quadratically as the image size increases, which makes these models hard to scale up when high-resolution features are required. In this paper, we present the Global Filter Network (GFNet), a conceptually simple yet computationally efficient architecture, that learns long-term spatial dependencies in the frequency domain with log-linear complexity. Our architecture replaces the self-attention layer in vision transformers with three key operations: a 2D discrete Fourier transform, an element-wise multiplication between frequency-domain features and learnable global filters, and a 2D inverse Fourier transform.

Multimodal Large Language Models (MLLMs) have demonstrated an excellent understanding of images and 3D data. However, both modalities have shortcomings in holistically capturing the appearance and geometry of objects. Meanwhile, Neural Radiance Fields (NeRFs), which encode information within the weights of a simple Multi-Layer Perceptron (MLP), have emerged as an increasingly widespread modality that simultaneously encodes the geometry and photorealistic appearance of objects. This paper investigates the feasibility and effectiveness of ingesting NeRF into MLLM. We create LLaNA, the first general-purpose NeRF-languageassistant capable of performing new tasks such as NeRF captioning and Q&A. Notably, our method directly processes the weights of the NeRF's MLP to extract information about the represented objects without the need to render images or materialize 3D data structures. Moreover, we build a dataset of NeRFs with text annotations for various NeRF-language tasks with no human intervention.Based on this dataset, we develop a benchmark to evaluate the NeRF understanding capability of our method. Results show that processing NeRF weights performs favourably against extracting 2D or 3D representations from NeRFs.

For four decades statistical physics has been providing a framework to analyse neural networks. A long-standing question remained on its capacity to tackle deep learning models capturing rich feature learning effects, thus going beyond the narrow networks or kernel methods analysed until now. We positively answer through the study of the supervised learning of a multi-layer perceptron. Importantly, (i) its width scales as the input dimension, making it more prone to feature learning than ultra wide networks, and more expressive than narrow ones or ones with fixed embedding layers; and (ii) we focus on the challenging interpolation regime where the number of trainable parameters and data are comparable, which forces the model to adapt to the task. We consider the matched teacher-student setting. Therefore, we provide the fundamental limits of learning random deep neural network targets and identify the sufficient statistics describing what is learnt by an optimally trained network as the data budget increases. A rich phenomenology emerges with various learning transitions. With enough data, optimal performance is attained through the model's "specialisation" towards the target, but it can be hard to reach for training algorithms which get attracted by sub-optimal solutions predicted by the theory. Specialisation occurs inhomogeneously across layers, propagating from shallow towards deep ones, but also across neurons in each layer. Furthermore, deeper targets are harder to learn. Despite its simplicity, the Bayes-optimal setting provides insights on how the depth, non-linearity and finite (proportional) width influence neural networks in the feature learning regime that are potentially relevant in much more general settings.

We report the discovery that binary encoding allows neural networks to extrapolate periodic functions beyond their training bounds. We introduce Normalized Base-2 Encoding (NB2E) as a method for encoding continuous numerical values and demonstrate that, using this input encoding, vanilla multi-layer perceptrons (MLP) successfully extrapolate diverse periodic signals without prior knowledge of their functional form. Internal activation analysis reveals that NB2E induces bit-phase representations, enabling MLPs to learn and extrapolate signal structure independently of position.