Yonatan Sverdlov

Yonatan Sverdlov, Nadav Dym

Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric graphs, whose node features correspond to 3-dimensional positions. Recent work has shown that such models can separate generic pairs of non-isomorphic geometric graphs, though they may fail to separate some rare and complicated instances. However, these results assume a fully connected graph, where each node possesses complete knowledge of all other nodes. In contrast, often, in application, every node only possesses knowledge of a small number of nearest neighbors. This paper shows that generic pairs of non-isomorphic geometric graphs can be separated by message-passing networks with rotation equivariant features as long as the underlying graph is connected. When only invariant intermediate features are allowed, generic separation is guaranteed for generically globally rigid graphs. We introduce a simple architecture, EGENNET, which achieves our theoretical guarantees and compares favorably with alternative architecture on synthetic and chemical benchmarks. Our code is available at https://github.com/yonatansverdlov/E-GenNet.

Yonatan Sverdlov, Benjamin Friedman, Snir Hordan et al.

While invariant architectures are standard for processing symmetric data, there is growing interest in achieving invariance by applying group averaging or canonization to non-invariant backbones. However, the theoretical generalization properties of these alternative strategies remain poorly understood. We introduce a theoretical framework to analyze the generalization error of these methods by bounding their covering numbers. We establish a rigorous generalization hierarchy: the error bounds of canonized models are at best equal to the error bounds of structurally invariant and group-averaged models, and at worst equal to the bounds of non-invariant baselines. Furthermore, we show that there exist optimal canonizations which attain the optimal error bounds, and poor canonizations which attain the non-invariant error bounds, and that this depends on the regularity of the canonization. Finally, applying this framework to permutation groups in point cloud processing, we rigorously prove that the covering number of lexicographical sorting grows exponentially with point cloud dimension, whereas Hilbert curve canonization guarantees polynomial growth. This provides the first formal theoretical justification for the empirical success of Hilbert curve serialization in state-of-the-art point cloud architectures. We conclude with experiments that support our theoretical claims. Code is available at https://github.com/yonatansverdlov/Canonization

Yonatan Sverdlov, Shimon Ullman

Artificial neural networks encounter a notable challenge known as continual learning, which involves acquiring knowledge of multiple tasks over an extended period. This challenge arises due to the tendency of previously learned weights to be adjusted to suit the objectives of new tasks, resulting in a phenomenon called catastrophic forgetting. Most approaches to this problem seek a balance between maximizing performance on the new tasks and minimizing the forgetting of previous tasks. In contrast, our approach attempts to maximize the performance of the new task, while ensuring zero forgetting. This is accomplished by creating a task-specific modulation parameters for each task. Only these would be learnable parameters during learning of consecutive tasks. Through comprehensive experimental evaluations, our model demonstrates superior performance in acquiring and retaining novel tasks that pose difficulties for other multi-task models. This emphasizes the efficacy of our approach in preventing catastrophic forgetting while accommodating the acquisition of new tasks

Yonatan Sverdlov, Eitan Rosen, Nadav Dym

Many neural networks for point clouds are, by design, invariant to the symmetries of this datatype: permutations and rigid motions. The purpose of this paper is to examine whether such networks preserve natural symmetry aware distances on the point cloud spaces, through the notion of bi-Lipschitz equivalence. This inquiry is motivated by recent work in the Equivariant learning literature which highlights the advantages of bi-Lipschitz models in other scenarios. We consider two symmetry aware metrics on point clouds: (a) The Procrustes Matching (PM) metric and (b) Hard Gromov Wasserstien distances. We show that these two distances themselves are not bi-Lipschitz equivalent, and as a corollary deduce that popular invariant networks for point clouds are not bi-Lipschitz with respect to the PM metric. We then show how these networks can be modified so that they do obtain bi-Lipschitz guarantees. Finally, we provide initial experiments showing the advantage of the proposed bi-Lipschitz model over standard invariant models, for the tasks of finding correspondences between 3D point clouds.

Soutrik Sarangi, Yonatan Sverdlov, Nadav Dym et al.

Motivated by applications for set containment problems, we consider the following fundamental problem: can we design set-to-vector functions so that the natural partial order on sets is preserved, namely $S\subseteq T \text{ if and only if } F(S)\leq F(T) $. We call functions satisfying this property Monotone and Separating (MAS) set functions. % We establish lower and upper bounds for the vector dimension necessary to obtain MAS functions, as a function of the cardinality of the multisets and the underlying ground set. In the important case of an infinite ground set, we show that MAS functions do not exist, but provide a model called our which provably enjoys a relaxed MAS property we name "weakly MAS" and is stable in the sense of Holder continuity. We also show that MAS functions can be used to construct universal models that are monotone by construction and can approximate all monotone set functions. Experimentally, we consider a variety of set containment tasks. The experiments show the benefit of using our our model, in comparison with standard set models which do not incorporate set containment as an inductive bias. Our code is available in https://github.com/yonatansverdlov/Monotone-Embedding.

Yaaqov Mishayev, Yonatan Sverdlov, Tal Amir et al.

Message Passing Neural Networks (MPNNs) are widely used for learning on graphs, but their ability to process long-range information is limited by the phenomenon of oversquashing. This limitation has led some researchers to advocate Graph Transformers as a better alternative, whereas others suggest that it can be mitigated within the MPNN framework, using virtual nodes or other rewiring techniques. In this work, we demonstrate that oversquashing is not limited to long-range tasks, but can also arise in short-range problems. This observation allows us to disentangle two distinct mechanisms underlying oversquashing: (1) the bottleneck phenomenon, which can arise even in low-range settings, and (2) the vanishing gradient phenomenon, which is closely associated with long-range tasks. We further show that the short-range bottleneck effect is not captured by existing explanations for oversquashing, and that adding virtual nodes does not resolve it. In contrast, transformers do succeed in such tasks, positioning them as the more compelling solution to oversquashing, compared to specialized MPNNs.