Interpreting Temporal Graph Neural Networks with Koopman Theory

Spatiotemporal graph neural networks (STGNNs) have shown promising results in many domains, from forecasting to epidemiology. However, understanding the dynamics learned by these models and explaining their behaviour is significantly more complex than for models dealing with static data. Inspired by Koopman theory, which allows a simpler description of intricate, nonlinear dynamical systems, we introduce an explainability approach for temporal graphs. We present two methods to interpret the STGNN's decision process and identify the most relevant spatial and temporal patterns in the input for the task at hand. The first relies on dynamic mode decomposition (DMD), a Koopman-inspired dimensionality reduction method. The second relies on sparse identification of nonlinear dynamics (SINDy), a popular method for discovering governing equations, which we use for the first time as a general tool for explainability. We show how our methods can correctly identify interpretable features such as infection times and infected nodes in the context of dissemination processes.

How to Connect Speech Foundation Models and Large Language Models? What Matters and What Does Not

The remarkable performance achieved by Large Language Models (LLM) has driven research efforts to leverage them for a wide range of tasks and input modalities. In speech-to-text (S2T) tasks, the emerging solution consists of projecting the output of the encoder of a Speech Foundational Model (SFM) into the LLM embedding space through an adapter module. However, no work has yet investigated how much the downstream-task performance depends on each component (SFM, adapter, LLM) nor whether the best design of the adapter depends on the chosen SFM and LLM. To fill this gap, we evaluate the combination of 5 adapter modules, 2 LLMs (Mistral and Llama), and 2 SFMs (Whisper and SeamlessM4T) on two widespread S2T tasks, namely Automatic Speech Recognition and Speech Translation. Our results demonstrate that the SFM plays a pivotal role in downstream performance, while the adapter choice has moderate impact and depends on the SFM and LLM.

Topological Deep Learning with State-Space Models: A Mamba Approach for Simplicial Complexes

Graph Neural Networks based on the message-passing (MP) mechanism are a dominant approach for handling graph-structured data. However, they are inherently limited to modeling only pairwise interactions, making it difficult to explicitly capture the complexity of systems with $n$-body relations. To address this, topological deep learning has emerged as a promising field for studying and modeling higher-order interactions using various topological domains, such as simplicial and cellular complexes. While these new domains provide powerful representations, they introduce new challenges, such as effectively modeling the interactions among higher-order structures through higher-order MP. Meanwhile, structured state-space sequence models have proven to be effective for sequence modeling and have recently been adapted for graph data by encoding the neighborhood of a node as a sequence, thereby avoiding the MP mechanism. In this work, we propose a novel architecture designed to operate with simplicial complexes, utilizing the Mamba state-space model as its backbone. Our approach generates sequences for the nodes based on the neighboring cells, enabling direct communication between all higher-order structures, regardless of their rank. We extensively validate our model, demonstrating that it achieves competitive performance compared to state-of-the-art models developed for simplicial complexes.

Adaptive Layer Selection for Efficient Vision Transformer Fine-Tuning

Recently, foundation models based on Vision Transformers (ViTs) have become widely available. However, their fine-tuning process is highly resource-intensive, and it hinders their adoption in several edge or low-energy applications. To this end, in this paper we introduce an efficient fine-tuning method for ViTs called $\textbf{ALaST}$ ($\textit{Adaptive Layer Selection Fine-Tuning for Vision Transformers}$) to speed up the fine-tuning process while reducing computational cost, memory load, and training time. Our approach is based on the observation that not all layers are equally critical during fine-tuning, and their importance varies depending on the current mini-batch. Therefore, at each fine-tuning step, we adaptively estimate the importance of all layers and we assign what we call ``compute budgets'' accordingly. Layers that were allocated lower budgets are either trained with a reduced number of input tokens or kept frozen. Freezing a layer reduces the computational cost and memory usage by preventing updates to its weights, while discarding tokens removes redundant data, speeding up processing and reducing memory requirements. We show that this adaptive compute allocation enables a nearly-optimal schedule for distributing computational resources across layers, resulting in substantial reductions in training time (up to 1.5x), FLOPs (up to 2x), and memory load (up to 2x) compared to traditional full fine-tuning approaches. Additionally, it can be successfully combined with other parameter-efficient fine-tuning methods, such as LoRA.

A Simple and Effective $L_2$ Norm-Based Strategy for KV Cache Compression

The deployment of large language models (LLMs) is often hindered by the extensive memory requirements of the Key-Value (KV) cache, especially as context lengths increase. Existing approaches to reduce the KV cache size involve either fine-tuning the model to learn a compression strategy or leveraging attention scores to reduce the sequence length. We analyse the attention distributions in decoder-only Transformers-based models and observe that attention allocation patterns stay consistent across most layers. Surprisingly, we find a clear correlation between the $L_2$ and the attention scores over cached KV pairs, where a low $L_2$ of a key embedding usually leads to a high attention score during decoding. This finding indicates that the influence of a KV pair is potentially determined by the key embedding itself before being queried. Based on this observation, we compress the KV cache based on the $L_2$ of key embeddings. Our experimental results show that this simple strategy can reduce the KV cache size by 50% on language modelling and needle-in-a-haystack tasks and 90% on passkey retrieval tasks without losing accuracy.

TopoBenchmarkX: A Framework for Benchmarking Topological Deep Learning

This work introduces TopoBenchmarkX, a modular open-source library designed to standardize benchmarking and accelerate research in Topological Deep Learning (TDL). TopoBenchmarkX maps the TDL pipeline into a sequence of independent and modular components for data loading and processing, as well as model training, optimization, and evaluation. This modular organization provides flexibility for modifications and facilitates the adaptation and optimization of various TDL pipelines. A key feature of TopoBenchmarkX is that it allows for the transformation and lifting between topological domains. This enables, for example, to obtain richer data representations and more fine-grained analyses by mapping the topology and features of a graph to higher-order topological domains such as simplicial and cell complexes. The range of applicability of TopoBenchmarkX is demonstrated by benchmarking several TDL architectures for various tasks and datasets.

Alice's Adventures in a Differentiable Wonderland -- Volume I, A Tour of the Land

This book is a self-contained introduction to the design of modern (deep) neural networks. Because the term "neural" comes with a lot of historical baggage, I prefer the simpler term "differentiable models" in the text. The focus of this 250-pages volume is on building efficient blocks for processing $n$D data, including convolutions, transformers, graph layers, and modern recurrent models (including linearized transformers and structured state-space models). Because the field is evolving quickly, I have tried to strike a good balance between theory and code, historical considerations and recent trends. I assume the reader has some exposure to machine learning and linear algebra, but I try to cover the preliminaries when necessary. The volume is a refined draft from a set of lecture notes for a course called Neural Networks for Data Science Applications that I teach in Sapienza. I do not cover many advanced topics (generative modeling, explainability, prompting, agents), which will be published over time in the companion website.

Adaptive Semantic Token Selection for AI-native Goal-oriented Communications

In this paper, we propose a novel design for AI-native goal-oriented communications, exploiting transformer neural networks under dynamic inference constraints on bandwidth and computation. Transformers have become the standard architecture for pretraining large-scale vision and text models, and preliminary results have shown promising performance also in deep joint source-channel coding (JSCC). Here, we consider a dynamic model where communication happens over a channel with variable latency and bandwidth constraints. Leveraging recent works on conditional computation, we exploit the structure of the transformer blocks and the multihead attention operator to design a trainable semantic token selection mechanism that learns to select relevant tokens (e.g., image patches) from the input signal. This is done dynamically, on a per-input basis, with a rate that can be chosen as an additional input by the user. We show that our model improves over state-of-the-art token selection mechanisms, exhibiting high accuracy for a wide range of latency and bandwidth constraints, without the need for deploying multiple architectures tailored to each constraint. Last, but not least, the proposed token selection mechanism helps extract powerful semantics that are easy to understand and explain, paving the way for interpretable-by-design models for the next generation of AI-native communication systems.

Conditional computation in neural networks: principles and research trends

This article summarizes principles and ideas from the emerging area of applying \textit{conditional computation} methods to the design of neural networks. In particular, we focus on neural networks that can dynamically activate or de-activate parts of their computational graph conditionally on their input. Examples include the dynamic selection of, e.g., input tokens, layers (or sets of layers), and sub-modules inside each layer (e.g., channels in a convolutional filter). We first provide a general formalism to describe these techniques in an uniform way. Then, we introduce three notable implementations of these principles: mixture-of-experts (MoEs) networks, token selection mechanisms, and early-exit neural networks. The paper aims to provide a tutorial-like introduction to this growing field. To this end, we analyze the benefits of these modular designs in terms of efficiency, explainability, and transfer learning, with a focus on emerging applicative areas ranging from automated scientific discovery to semantic communication.

Position Paper: Challenges and Opportunities in Topological Deep Learning

Topological deep learning (TDL) is a rapidly evolving field that uses topological features to understand and design deep learning models. This paper posits that TDL may complement graph representation learning and geometric deep learning by incorporating topological concepts, and can thus provide a natural choice for various machine learning settings. To this end, this paper discusses open problems in TDL, ranging from practical benefits to theoretical foundations. For each problem, it outlines potential solutions and future research opportunities. At the same time, this paper serves as an invitation to the scientific community to actively participate in TDL research to unlock the potential of this emerging field.