Joshua Rosenthal

Tin Hadži Veljković, Joshua Rosenthal, Ivor Lončarić et al.

Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We present Crystalite, a lightweight diffusion Transformer for crystal modeling built around two simple inductive biases. The first is Subatomic Tokenization, a compact chemically structured atom representation that replaces high-dimensional one-hot encodings and is better suited to continuous diffusion. The second is the Geometry Enhancement Module (GEM), which injects periodic minimum-image pair geometry directly into attention through additive geometric biases. Together, these components preserve the simplicity and efficiency of a standard Transformer while making it better matched to the structure of crystalline materials. Crystalite achieves state-of-the-art results on crystal structure prediction benchmarks, and de novo generation performance, attaining the best S.U.N. discovery score among the evaluated baselines while sampling substantially faster than geometry-heavy alternatives.

Jorge Carrasco Pollo, Ioannis Kapetangeorgis, Joshua Rosenthal et al.

Large Language Models (LLMs) demonstrate significant potential in multi-agent negotiation tasks, yet evaluation in this domain remains challenging due to a lack of robust and generalizable benchmarks. Abdelnabi et al. (2024) introduce a negotiation benchmark based on Scoreable Games, with the aim of developing a highly complex and realistic evaluation framework for LLMs. Our work investigates the reproducibility of claims in their benchmark, and provides a deeper understanding of its usability and generalizability. We replicate the original experiments on additional models, and introduce additional metrics to verify negotiation quality and evenness of evaluation. Our findings reveal that while the benchmark is indeed complex, model comparison is ambiguous, raising questions about its objectivity. Furthermore, we identify limitations in the experimental setup, particularly in information leakage detection and thoroughness of the ablation study. By examining and analyzing the behavior of a wider range of models on an extended version of the benchmark, we reveal insights that provide additional context to potential users. Our results highlight the importance of context in model-comparative evaluations.

Odysseas Boufalis, Jorge Carrasco-Pollo, Joshua Rosenthal et al.

Neural network parameterizations exhibit inherent symmetries that yield multiple equivalent minima within the loss landscape. Scale Graph Metanetworks (ScaleGMNs) explicitly leverage these symmetries by proposing an architecture equivariant to both permutation and parameter scaling transformations. Previous work by Ainsworth et al. (2023) addressed permutation symmetries through a computationally intensive combinatorial assignment problem, demonstrating that leveraging permutation symmetries alone can map networks into a shared loss basin. In this work, we extend their approach by also incorporating scaling symmetries, presenting an autoencoder framework utilizing ScaleGMNs as invariant encoders. Experimental results demonstrate that our method aligns Implicit Neural Representations (INRs) and Convolutional Neural Networks (CNNs) under both permutation and scaling symmetries without explicitly solving the assignment problem. This approach ensures that similar networks naturally converge within the same basin, facilitating model merging, i.e., smooth linear interpolation while avoiding regions of high loss. The code is publicly available on our GitHub repository.