Computationally-efficient Graph Modeling with Refined Graph Random Features

We propose refined GRFs (GRFs++), a new class of Graph Random Features (GRFs) for efficient and accurate computations involving kernels defined on the nodes of a graph. GRFs++ resolve some of the long-standing limitations of regular GRFs, including difficulty modeling relationships between more distant nodes. They reduce dependence on sampling long graph random walks via a novel walk-stitching technique, concatenating several shorter walks without breaking unbiasedness. By applying these techniques, GRFs++ inherit the approximation quality provided by longer walks but with greater efficiency, trading sequential, inefficient sampling of a long walk for parallel computation of short walks and matrix-matrix multiplication. Furthermore, GRFs++ extend the simplistic GRFs walk termination mechanism (Bernoulli schemes with fixed halting probabilities) to a broader class of strategies, applying general distributions on the walks' lengths. This improves the approximation accuracy of graph kernels, without incurring extra computational cost. We provide empirical evaluations to showcase all our claims and complement our results with theoretical analysis.

Wavelet-Induced Rotary Encodings: RoPE Meets Graphs

We introduce WIRE: Wavelet-Induced Rotary Encodings. WIRE extends Rotary Position Encodings (RoPE), a popular algorithm in LLMs and ViTs, to graph-structured data. We demonstrate that WIRE is more general than RoPE, recovering the latter in the special case of grid graphs. WIRE also enjoys a host of desirable theoretical properties, including equivariance under node ordering permutation, compatibility with linear attention, and (under select assumptions) asymptotic dependence on graph resistive distance. We test WIRE on a range of synthetic and real-world tasks, including identifying monochromatic subgraphs, semantic segmentation of point clouds, and more standard graph benchmarks. We find it to be effective in settings where the underlying graph structure is important.

Optimal Time Complexity Algorithms for Computing General Random Walk Graph Kernels on Sparse Graphs

We present the first linear time complexity randomized algorithms for unbiased approximation of the celebrated family of general random walk kernels (RWKs) for sparse graphs. This includes both labelled and unlabelled instances. The previous fastest methods for general RWKs were of cubic time complexity and not applicable to labelled graphs. Our method samples dependent random walks to compute novel graph embeddings in $\mathbb{R}^d$ whose dot product is equal to the true RWK in expectation. It does so without instantiating the direct product graph in memory, meaning we can scale to massive datasets that cannot be stored on a single machine. We derive exponential concentration bounds to prove that our estimator is sharp, and show that the ability to approximate general RWKs (rather than just special cases) unlocks efficient implicit graph kernel learning. Our method is up to $\mathbf{27\times}$ faster than its counterparts for efficient computation on large graphs and scales to graphs $\mathbf{128 \times}$ bigger than largest examples amenable to brute-force computation.

Magnituder Layers for Implicit Neural Representations in 3D

Improving the efficiency and performance of implicit neural representations in 3D, particularly Neural Radiance Fields (NeRF) and Signed Distance Fields (SDF) is crucial for enabling their use in real-time applications. These models, while capable of generating photo-realistic novel views and detailed 3D reconstructions, often suffer from high computational costs and slow inference times. To address this, we introduce a novel neural network layer called the "magnituder", designed to reduce the number of training parameters in these models without sacrificing their expressive power. By integrating magnituders into standard feed-forward layer stacks, we achieve improved inference speed and adaptability. Furthermore, our approach enables a zero-shot performance boost in trained implicit neural representation models through layer-wise knowledge transfer without backpropagation, leading to more efficient scene reconstruction in dynamic environments.

Structured Unrestricted-Rank Matrices for Parameter Efficient Fine-tuning

Recent efforts to scale Transformer models have demonstrated rapid progress across a wide range of tasks (Wei et al., 2022). However, fine-tuning these models for downstream tasks is expensive due to their large parameter counts. Parameter-efficient fine-tuning (PEFT) approaches have emerged as a viable alternative by allowing us to fine-tune models by updating only a small number of parameters. In this work, we propose a general framework for parameter efficient fine-tuning (PEFT), based on structured unrestricted-rank matrices (SURM) which can serve as a drop-in replacement for popular approaches such as Adapters and LoRA. Unlike other methods like LoRA, SURMs provides more flexibility in finding the right balance between compactness and expressiveness. This is achieved by using low displacement rank matrices (LDRMs), which hasn't been used in this context before. SURMs remain competitive with baselines, often providing significant quality improvements while using a smaller parameter budget. SURMs achieve 5-7% accuracy gains on various image classification tasks while replacing low-rank matrices in LoRA. It also results in up to 12x reduction of the number of parameters in adapters (with virtually no loss in quality) on the GLUE benchmark.

Towards Scalable Exact Machine Unlearning Using Parameter-Efficient Fine-Tuning

Machine unlearning is the process of efficiently removing the influence of a training data instance from a trained machine learning model without retraining it from scratch. A popular subclass of unlearning approaches is exact machine unlearning, which focuses on techniques that explicitly guarantee the removal of the influence of a data instance from a model. Exact unlearning approaches use a machine learning model in which individual components are trained on disjoint subsets of the data. During deletion, exact unlearning approaches only retrain the affected components rather than the entire model. While existing approaches reduce retraining costs, it can still be expensive for an organization to retrain a model component as it requires halting a system in production, which leads to service failure and adversely impacts customers. To address these challenges, we introduce an exact unlearning framework -- Sequence-aware Sharded Sliced Training (S3T), designed to enhance the deletion capabilities of an exact unlearning system while minimizing the impact on model's performance. At the core of S3T, we utilize a lightweight parameter-efficient fine-tuning approach that enables parameter isolation by sequentially training layers with disjoint data slices. This enables efficient unlearning by simply deactivating the layers affected by data deletion. Furthermore, to reduce the retraining cost and improve model performance, we train the model on multiple data sequences, which allows S3T to handle an increased number of deletion requests. Both theoretically and empirically, we demonstrate that S3T attains superior deletion capabilities and enhanced performance compared to baselines across a wide range of settings.

Fast Tree-Field Integrators: From Low Displacement Rank to Topological Transformers

We present a new class of fast polylog-linear algorithms based on the theory of structured matrices (in particular low displacement rank) for integrating tensor fields defined on weighted trees. Several applications of the resulting fast tree-field integrators (FTFIs) are presented, including (a) approximation of graph metrics with tree metrics, (b) graph classification, (c) modeling on meshes, and finally (d) Topological Transformers (TTs) (Choromanski et al., 2022) for images. For Topological Transformers, we propose new relative position encoding (RPE) masking mechanisms with as few as three extra learnable parameters per Transformer layer, leading to 1.0-1.5%+ accuracy gains. Importantly, most of FTFIs are exact methods, thus numerically equivalent to their brute-force counterparts. When applied to graphs with thousands of nodes, those exact algorithms provide 5.7-13x speedups. We also provide an extensive theoretical analysis of our methods.

Scalable Neural Network Kernels

We introduce the concept of scalable neural network kernels (SNNKs), the replacements of regular feedforward layers (FFLs), capable of approximating the latter, but with favorable computational properties. SNNKs effectively disentangle the inputs from the parameters of the neural network in the FFL, only to connect them in the final computation via the dot-product kernel. They are also strictly more expressive, as allowing to model complicated relationships beyond the functions of the dot-products of parameter-input vectors. We also introduce the neural network bundling process that applies SNNKs to compactify deep neural network architectures, resulting in additional compression gains. In its extreme version, it leads to the fully bundled network whose optimal parameters can be expressed via explicit formulae for several loss functions (e.g. mean squared error), opening a possibility to bypass backpropagation. As a by-product of our analysis, we introduce the mechanism of the universal random features (or URFs), applied to instantiate several SNNK variants, and interesting on its own in the context of scalable kernel methods. We provide rigorous theoretical analysis of all these concepts as well as an extensive empirical evaluation, ranging from point-wise kernel estimation to Transformers' fine-tuning with novel adapter layers inspired by SNNKs. Our mechanism provides up to 5x reduction in the number of trainable parameters, while maintaining competitive accuracy.

Efficient Graph Field Integrators Meet Point Clouds

We present two new classes of algorithms for efficient field integration on graphs encoding point clouds. The first class, SeparatorFactorization(SF), leverages the bounded genus of point cloud mesh graphs, while the second class, RFDiffusion(RFD), uses popular epsilon-nearest-neighbor graph representations for point clouds. Both can be viewed as providing the functionality of Fast Multipole Methods (FMMs), which have had a tremendous impact on efficient integration, but for non-Euclidean spaces. We focus on geometries induced by distributions of walk lengths between points (e.g., shortest-path distance). We provide an extensive theoretical analysis of our algorithms, obtaining new results in structural graph theory as a byproduct. We also perform exhaustive empirical evaluation, including on-surface interpolation for rigid and deformable objects (particularly for mesh-dynamics modeling), Wasserstein distance computations for point clouds, and the Gromov-Wasserstein variant.

Explaining the Effectiveness of Multi-Task Learning for Efficient Knowledge Extraction from Spine MRI Reports

Pretrained Transformer based models finetuned on domain specific corpora have changed the landscape of NLP. However, training or fine-tuning these models for individual tasks can be time consuming and resource intensive. Thus, a lot of current research is focused on using transformers for multi-task learning (Raffel et al.,2020) and how to group the tasks to help a multi-task model to learn effective representations that can be shared across tasks (Standley et al., 2020; Fifty et al., 2021). In this work, we show that a single multi-tasking model can match the performance of task specific models when the task specific models show similar representations across all of their hidden layers and their gradients are aligned, i.e. their gradients follow the same direction. We hypothesize that the above observations explain the effectiveness of multi-task learning. We validate our observations on our internal radiologist-annotated datasets on the cervical and lumbar spine. Our method is simple and intuitive, and can be used in a wide range of NLP problems.