Asymmetry in Low-Rank Adapters of Foundation Models

Parameter-efficient fine-tuning optimizes large, pre-trained foundation models by updating a subset of parameters; in this class, Low-Rank Adaptation (LoRA) is particularly effective. Inspired by an effort to investigate the different roles of LoRA matrices during fine-tuning, this paper characterizes and leverages unexpected asymmetry in the importance of low-rank adapter matrices. Specifically, when updating the parameter matrices of a neural network by adding a product $BA$, we observe that the $B$ and $A$ matrices have distinct functions: $A$ extracts features from the input, while $B$ uses these features to create the desired output. Based on this observation, we demonstrate that fine-tuning $B$ is inherently more effective than fine-tuning $A$, and that a random untrained $A$ should perform nearly as well as a fine-tuned one. Using an information-theoretic lens, we also bound the generalization of low-rank adapters, showing that the parameter savings of exclusively training $B$ improves the bound. We support our conclusions with experiments on RoBERTa, BART-Large, LLaMA-2, and ViTs.

DreamUp3D: Object-Centric Generative Models for Single-View 3D Scene Understanding and Real-to-Sim Transfer

3D scene understanding for robotic applications exhibits a unique set of requirements including real-time inference, object-centric latent representation learning, accurate 6D pose estimation and 3D reconstruction of objects. Current methods for scene understanding typically rely on a combination of trained models paired with either an explicit or learnt volumetric representation, all of which have their own drawbacks and limitations. We introduce DreamUp3D, a novel Object-Centric Generative Model (OCGM) designed explicitly to perform inference on a 3D scene informed only by a single RGB-D image. DreamUp3D is a self-supervised model, trained end-to-end, and is capable of segmenting objects, providing 3D object reconstructions, generating object-centric latent representations and accurate per-object 6D pose estimates. We compare DreamUp3D to baselines including NeRFs, pre-trained CLIP-features, ObSurf, and ObPose, in a range of tasks including 3D scene reconstruction, object matching and object pose estimation. Our experiments show that our model outperforms all baselines by a significant margin in real-world scenarios displaying its applicability for 3D scene understanding tasks while meeting the strict demands exhibited in robotics applications.

Breaking the Curse of Dimensionality with Distributed Neural Computation

We present a theoretical approach to overcome the curse of dimensionality using a neural computation algorithm which can be distributed across several machines. Our modular distributed deep learning paradigm, termed \textit{neural pathways}, can achieve arbitrary accuracy while only loading a small number of parameters into GPU VRAM. Formally, we prove that for every error level $\varepsilon>0$ and every Lipschitz function $f:[0,1]^n\to \mathbb{R}$, one can construct a neural pathways model which uniformly approximates $f$ to $\varepsilon$ accuracy over $[0,1]^n$ while only requiring networks of $\mathcal{O}(\varepsilon^{-1})$ parameters to be loaded in memory and $\mathcal{O}(\varepsilon^{-1}\log(\varepsilon^{-1}))$ to be loaded during the forward pass. This improves the optimal bounds for traditional non-distributed deep learning models, namely ReLU MLPs, which need $\mathcal{O}(\varepsilon^{-n/2})$ parameters to achieve the same accuracy. The only other available deep learning model that breaks the curse of dimensionality is MLPs with super-expressive activation functions. However, we demonstrate that these models have an infinite VC dimension, even with bounded depth and width restrictions, unlike the neural pathways model. This implies that only the latter generalizes. Our analysis is validated experimentally in both regression and classification tasks, demonstrating that our model exhibits superior performance compared to larger centralized benchmarks.

AMES: A Differentiable Embedding Space Selection Framework for Latent Graph Inference

In real-world scenarios, although data entities may possess inherent relationships, the specific graph illustrating their connections might not be directly accessible. Latent graph inference addresses this issue by enabling Graph Neural Networks (GNNs) to operate on point cloud data, dynamically learning the necessary graph structure. These graphs are often derived from a latent embedding space, which can be modeled using Euclidean, hyperbolic, spherical, or product spaces. However, currently, there is no principled differentiable method for determining the optimal embedding space. In this work, we introduce the Attentional Multi-Embedding Selection (AMES) framework, a differentiable method for selecting the best embedding space for latent graph inference through backpropagation, considering a downstream task. Our framework consistently achieves comparable or superior results compared to previous methods for latent graph inference across five benchmark datasets. Importantly, our approach eliminates the need for conducting multiple experiments to identify the optimal embedding space. Furthermore, we explore interpretability techniques that track the gradient contributions of different latent graphs, shedding light on how our attention-based, fully differentiable approach learns to choose the appropriate latent space. In line with previous works, our experiments emphasize the advantages of hyperbolic spaces in enhancing performance. More importantly, our interpretability framework provides a general approach for quantitatively comparing embedding spaces across different tasks based on their contributions, a dimension that has been overlooked in previous literature on latent graph inference.

Neural Snowflakes: Universal Latent Graph Inference via Trainable Latent Geometries

The inductive bias of a graph neural network (GNN) is largely encoded in its specified graph. Latent graph inference relies on latent geometric representations to dynamically rewire or infer a GNN's graph to maximize the GNN's predictive downstream performance, but it lacks solid theoretical foundations in terms of embedding-based representation guarantees. This paper addresses this issue by introducing a trainable deep learning architecture, coined neural snowflake, that can adaptively implement fractal-like metrics on $\mathbb{R}^d$. We prove that any given finite weights graph can be isometrically embedded by a standard MLP encoder. Furthermore, when the latent graph can be represented in the feature space of a sufficiently regular kernel, we show that the combined neural snowflake and MLP encoder do not succumb to the curse of dimensionality by using only a low-degree polynomial number of parameters in the number of nodes. This implementation enables a low-dimensional isometric embedding of the latent graph. We conduct synthetic experiments to demonstrate the superior metric learning capabilities of neural snowflakes when compared to more familiar spaces like Euclidean space. Additionally, we carry out latent graph inference experiments on graph benchmarks. Consistently, the neural snowflake model achieves predictive performance that either matches or surpasses that of the state-of-the-art latent graph inference models. Importantly, this performance improvement is achieved without requiring random search for optimal latent geometry. Instead, the neural snowflake model achieves this enhancement in a differentiable manner.

Closed-Form Diffusion Models

Score-based generative models (SGMs) sample from a target distribution by iteratively transforming noise using the score function of the perturbed target. For any finite training set, this score function can be evaluated in closed form, but the resulting SGM memorizes its training data and does not generate novel samples. In practice, one approximates the score by training a neural network via score-matching. The error in this approximation promotes generalization, but neural SGMs are costly to train and sample, and the effective regularization this error provides is not well-understood theoretically. In this work, we instead explicitly smooth the closed-form score to obtain an SGM that generates novel samples without training. We analyze our model and propose an efficient nearest-neighbor-based estimator of its score function. Using this estimator, our method achieves sampling times competitive with neural SGMs while running on consumer-grade CPUs.

Capacity Bounds for Hyperbolic Neural Network Representations of Latent Tree Structures

We study the representation capacity of deep hyperbolic neural networks (HNNs) with a ReLU activation function. We establish the first proof that HNNs can $\varepsilon$-isometrically embed any finite weighted tree into a hyperbolic space of dimension $d$ at least equal to $2$ with prescribed sectional curvature $\kappa<0$, for any $\varepsilon> 1$ (where $\varepsilon=1$ being optimal). We establish rigorous upper bounds for the network complexity on an HNN implementing the embedding. We find that the network complexity of HNN implementing the graph representation is independent of the representation fidelity/distortion. We contrast this result against our lower bounds on distortion which any ReLU multi-layer perceptron (MLP) must exert when embedding a tree with $L>2^d$ leaves into a $d$-dimensional Euclidean space, which we show at least $\Omega(L^{1/d})$; independently of the depth, width, and (possibly discontinuous) activation function defining the MLP.

Projections of Model Spaces for Latent Graph Inference

Graph Neural Networks leverage the connectivity structure of graphs as an inductive bias. Latent graph inference focuses on learning an adequate graph structure to diffuse information on and improve the downstream performance of the model. In this work we employ stereographic projections of the hyperbolic and spherical model spaces, as well as products of Riemannian manifolds, for the purpose of latent graph inference. Stereographically projected model spaces achieve comparable performance to their non-projected counterparts, while providing theoretical guarantees that avoid divergence of the spaces when the curvature tends to zero. We perform experiments on both homophilic and heterophilic graphs.

Latent Graph Inference using Product Manifolds

Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically learn the intrinsic graph structure of problems where the connectivity patterns of data may not be directly accessible. In this work, we generalize the discrete Differentiable Graph Module (dDGM) for latent graph learning. The original dDGM architecture used the Euclidean plane to encode latent features based on which the latent graphs were generated. By incorporating Riemannian geometry into the model and generating more complex embedding spaces, we can improve the performance of the latent graph inference system. In particular, we propose a computationally tractable approach to produce product manifolds of constant curvature model spaces that can encode latent features of varying structure. The latent representations mapped onto the inferred product manifold are used to compute richer similarity measures that are leveraged by the latent graph learning model to obtain optimized latent graphs. Moreover, the curvature of the product manifold is learned during training alongside the rest of the network parameters and based on the downstream task, rather than it being a static embedding space. Our novel approach is tested on a wide range of datasets, and outperforms the original dDGM model.

Graph Neural Network Expressivity and Meta-Learning for Molecular Property Regression

We demonstrate the applicability of model-agnostic algorithms for meta-learning, specifically Reptile, to GNN models in molecular regression tasks. Using meta-learning we are able to learn new chemical prediction tasks with only a few model updates, as compared to using randomly initialized GNNs which require learning each regression task from scratch. We experimentally show that GNN layer expressivity is correlated to improved meta-learning. Additionally, we also experiment with GNN emsembles which yield best performance and rapid convergence for k-shot learning.