Kedar Karhadkar

Pradeep Kr. Banerjee, Kedar Karhadkar, Yu Guang Wang et al. · cmu

The quality of signal propagation in message-passing graph neural networks (GNNs) strongly influences their expressivity as has been observed in recent works. In particular, for prediction tasks relying on long-range interactions, recursive aggregation of node features can lead to an undesired phenomenon called "oversquashing". We present a framework for analyzing oversquashing based on information contraction. Our analysis is guided by a model of reliable computation due to von Neumann that lends a new insight into oversquashing as signal quenching in noisy computation graphs. Building on this, we propose a graph rewiring algorithm aimed at alleviating oversquashing. Our algorithm employs a random local edge flip primitive motivated by an expander graph construction. We compare the spectral expansion properties of our algorithm with that of an existing curvature-based non-local rewiring strategy. Synthetic experiments show that while our algorithm in general has a slower rate of expansion, it is overall computationally cheaper, preserves the node degrees exactly and never disconnects the graph.

Kedar Karhadkar, Pradeep Kr. Banerjee, Guido Montúfar

Graph neural networks (GNNs) are able to leverage the structure of graph data by passing messages along the edges of the graph. While this allows GNNs to learn features depending on the graph structure, for certain graph topologies it leads to inefficient information propagation and a problem known as oversquashing. This has recently been linked with the curvature and spectral gap of the graph. On the other hand, adding edges to the message-passing graph can lead to increasingly similar node representations and a problem known as oversmoothing. We propose a computationally efficient algorithm that prevents oversquashing by systematically adding edges to the graph based on spectral expansion. We combine this with a relational architecture, which lets the GNN preserve the original graph structure and provably prevents oversmoothing. We find experimentally that our algorithm outperforms existing graph rewiring methods in several graph classification tasks.

Kedar Karhadkar, Michael Murray, Guido Montúfar

Bounds on the smallest eigenvalue of the neural tangent kernel (NTK) are a key ingredient in the analysis of neural network optimization and memorization. However, existing results require distributional assumptions on the data and are limited to a high-dimensional setting, where the input dimension $d_0$ scales at least logarithmically in the number of samples $n$. In this work we remove both of these requirements and instead provide bounds in terms of a measure of the collinearity of the data: notably these bounds hold with high probability even when $d_0$ is held constant versus $n$. We prove our results through a novel application of the hemisphere transform.

Kedar Karhadkar, Erin George, Michael Murray et al.

The problem of benign overfitting asks whether it is possible for a model to perfectly fit noisy training data and still generalize well. We study benign overfitting in two-layer leaky ReLU networks trained with the hinge loss on a binary classification task. We consider input data that can be decomposed into the sum of a common signal and a random noise component, that lie on subspaces orthogonal to one another. We characterize conditions on the signal to noise ratio (SNR) of the model parameters giving rise to benign versus non-benign (or harmful) overfitting: in particular, if the SNR is high then benign overfitting occurs, conversely if the SNR is low then harmful overfitting occurs. We attribute both benign and non-benign overfitting to an approximate margin maximization property and show that leaky ReLU networks trained on hinge loss with gradient descent (GD) satisfy this property. In contrast to prior work we do not require the training data to be nearly orthogonal. Notably, for input dimension $d$ and training sample size $n$, while results in prior work require $d = Ω(n^2 \log n)$, here we require only $d = Ω\left(n\right)$.

James Chapman, Kedar Karhadkar, Guido Montufar

Deep reinforcement learning (DRL) has achieved remarkable success across multiple domains, including competitive games, natural language processing, and robotics. Despite these advancements, policies trained via DRL often struggle to generalize to evaluation environments with different parameters. This challenge is typically addressed by training with multiple contexts and/or by leveraging additional structure in the problem. However, obtaining sufficient training data across diverse contexts can be impractical in real-world applications. In this work, we consider contextual Markov decision processes (CMDPs) with transition and reward functions that exhibit regularity in context parameters. We introduce the context-enhanced Bellman equation (CEBE) to improve generalization when training on a single context. We prove both analytically and empirically that the CEBE yields a first-order approximation to the Q-function trained across multiple contexts. We then derive context sample enhancement (CSE) as an efficient data augmentation method for approximating the CEBE in deterministic control environments. We numerically validate the performance of CSE in simulation environments, showcasing its potential to improve generalization in DRL.

Kedar Karhadkar, Michael Murray, Hanna Tseran et al.

We study the loss landscape of both shallow and deep, mildly overparameterized ReLU neural networks on a generic finite input dataset for the squared error loss. We show both by count and volume that most activation patterns correspond to parameter regions with no bad local minima. Furthermore, for one-dimensional input data, we show most activation regions realizable by the network contain a high dimensional set of global minima and no bad local minima. We experimentally confirm these results by finding a phase transition from most regions having full rank Jacobian to many regions having deficient rank depending on the amount of overparameterization.