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Mixture of neural fields for heterogeneous reconstruction in cryo-EM

Neural Information Processing Systems

Cryo-electron microscopy (cryo-EM) is an experimental technique for protein structure determination that images an ensemble of macromolecules in near-physiological contexts. While recent advances enable the reconstruction of dynamic conformations of a single biomolecular complex, current methods do not adequately model samples with mixed conformational and compositional heterogeneity. In particular, datasets containing mixtures of multiple proteins require the joint inference of structure, pose, compositional class, and conformational states for 3D reconstruction.


Hydra: Bidirectional State Space Models Through Generalized Matrix Mixers

Neural Information Processing Systems

A wide array of sequence models are built on a framework modeled after Transformers, comprising alternating sequence mixer and channel mixer layers. This paper studies a unifying view of sequence mixers that can be conceptualized as a linear map on the input sequence. This framework encompasses a broad range of well-known sequence models, including the self-attention of Transformers as well as recent strong alternatives such as structured state space models (SSMs), and allows understanding downstream characteristics such as efficiency and expressivity through properties of their structured matrix class. We identify a key axis of matrix parameterizations termed, which increases the flexibility and performance of matrix mixers, providing insights into the strong performance of Transformers and recent SSMs such as Mamba. Furthermore, the matrix mixer framework offers a systematic approach to developing sequence mixers with desired properties, allowing us to develop several new sub-quadratic sequence models.


HYDRA: Model Factorization Framework for Black-Box LLM Personalization

Neural Information Processing Systems

Personalization has emerged as a critical research area in modern intelligent systems, focusing on mining users' behavioral history and adapting to their preferences for delivering tailored experiences. Despite the remarkable few-shot capabilities exhibited by black-box large language models (LLMs), the inherent opacity of their model parameters presents significant challenges in aligning the generated output with individual expectations. Existing solutions have primarily focused on prompt design to incorporate user-specific profiles and behaviors; however, such approaches often struggle to generalize effectively due to their inability to capture shared knowledge among all users. To address these challenges, we propose HYDRA, a model factorization framework that captures both user-specific behavior patterns from historical data and shared general knowledge among all users to deliver personalized generation. In order to capture user-specific behavior patterns, we first train a reranker to prioritize the most useful information from top-retrieved relevant historical records.By combining the prioritized history with the corresponding query, we train an adapter to align the output with individual user-specific preferences, eliminating the reliance on access to inherent model parameters of black-box LLMs. Both the reranker and the adapter can be decomposed into a base model with multiple user-specific heads, resembling a hydra. The base model maintains shared knowledge across users, while the multiple personal heads capture user-specific preferences. Experimental results demonstrate that \method outperforms existing state-of-the-art prompt-based methods by an average relative improvement of 9.01% across five diverse personalization tasks in the LaMP benchmark.


HYDRA: Pruning Adversarially Robust Neural Networks

Neural Information Processing Systems

In safety-critical but computationally resource-constrained applications, deep learning faces two key challenges: lack of robustness against adversarial attacks and large neural network size (often millions of parameters). While the research community has extensively explored the use of robust training and network pruning \emph{independently} to address one of these challenges, only a few recent works have studied them jointly. However, these works inherit a heuristic pruning strategy that was developed for benign training, which performs poorly when integrated with robust training techniques, including adversarial training and verifiable robust training. To overcome this challenge, we propose to make pruning techniques aware of the robust training objective and let the training objective guide the search for which connections to prune. We realize this insight by formulating the pruning objective as an empirical risk minimization problem which is solved efficiently using SGD. We demonstrate that our approach, titled HYDRA, achieves compressed networks with \textit{state-of-the-art} benign and robust accuracy, \textit{simultaneously}. We demonstrate the success of our approach across CIFAR-10, SVHN, and ImageNet dataset with four robust training techniques: iterative adversarial training, randomized smoothing, MixTrain, and CROWN-IBP. We also demonstrate the existence of highly robust sub-networks within non-robust networks.


State-Space Models for Tabular Prior-Data Fitted Networks

Koch, Felix, Wever, Marcel, Raisch, Fabian, Tischler, Benjamin

arXiv.org Artificial Intelligence

Recent advancements in foundation models for tabular data, such as TabPFN, demonstrated that pretrained Transformer architectures can approximate Bayesian inference with high predictive performance. However, Transformers suffer from quadratic complexity with respect to sequence length, motivating the exploration of more efficient sequence models. In this work, we investigate the potential of using Hydra, a bidirectional linear-time structured state space model (SSM), as an alternative to Transformers in TabPFN. A key challenge lies in SSM's inherent sensitivity to the order of input tokens - an undesirable property for tabular datasets where the row order is semantically meaningless. We investigate to what extent a bidirectional approach can preserve efficiency and enable symmetric context aggregation. Our experiments show that this approach reduces the order-dependence, achieving predictive performance competitive to the original TabPFN model.


Data Heterogeneity and Forgotten Labels in Split Federated Learning

Tirana, Joana, Tsigkari, Dimitra, Noguero, David Solans, Kourtellis, Nicolas

arXiv.org Artificial Intelligence

In Split Federated Learning (SFL), the clients collaboratively train a model with the help of a server by splitting the model into two parts. Part-1 is trained locally at each client and aggregated by the aggregator at the end of each round. Part-2 is trained at a server that sequentially processes the intermediate activations received from each client. We study the phenomenon of catastrophic forgetting (CF) in SFL in the presence of data heterogeneity. In detail, due to the nature of SFL, local updates of part-1 may drift away from global optima, while part-2 is sensitive to the processing sequence, similar to forgetting in continual learning (CL). Specifically, we observe that the trained model performs better in classes (labels) seen at the end of the sequence. We investigate this phenomenon with emphasis on key aspects of SFL, such as the processing order at the server and the cut layer. Based on our findings, we propose Hydra, a novel mitigation method inspired by multi-head neural networks and adapted for the SFL's setting. Extensive numerical evaluations show that Hydra outperforms baselines and methods from the literature.