Model reduction is the construction of simple yet predictive descriptions of the dynamics of many-body systems in terms of a few relevant variables. A prerequisite to model reduction is the identification of these relevant variables, a task for which no general method exists. Here, we develop a systematic approach based on the information bottleneck to identify the relevant variables, defined as those most predictive of the future. We elucidate analytically the relation between these relevant variables and the eigenfunctions of the transfer operator describing the dynamics. Further, we show that in the limit of high compression, the relevant variables are directly determined by the slowest-decaying eigenfunctions. Our information-based approach indicates when to optimally stop increasing the complexity of the reduced model. Further, it provides a firm foundation to construct interpretable deep learning tools that perform model reduction. We illustrate how these tools work on benchmark dynamical systems and deploy them on uncurated datasets, such as satellite movies of atmospheric flows downloaded directly from YouTube.

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to errors stemming from observational noise, graph-learning limitations, or adversarial attacks. If ignored, these perturbations may drastically hinder the performance of GNNs. To address this limitation, this work proposes a robust implementation of GNNs that explicitly accounts for the presence of perturbations in the observed topology. For any task involving GNNs, our core idea is to i) solve an optimization problem not only over the learnable parameters of the GNN but also over the true graph, and ii) augment the fitting cost with a term accounting for discrepancies on the graph. Specifically, we consider a convolutional GNN based on graph filters and follow an alternating optimization approach to handle the (non-differentiable and constrained) optimization problem by combining gradient descent and projected proximal updates. The resulting algorithm is not limited to a particular type of graph and is amenable to incorporating prior information about the perturbations. Finally, we assess the performance of the proposed method through several numerical experiments.

There is no denying that the use of Information Technology (IT) is undergoing exponential growth in today's world. This digital transformation has also given rise to a multitude of security challenges, notably in the realm of cybercrime. In response to these growing threats, public and private sectors have prioritized the strengthening of IT security measures. In light of the growing security concern, Artificial Intelligence (AI) has gained prominence within the cybersecurity landscape. This paper presents a comprehensive survey of recent advancements in AI-driven threat response systems. To the best of our knowledge, the most recent survey covering the AI reaction domain was conducted in 2017. Since then, considerable literature has been published and therefore it is worth reviewing it. By means of several shared features, each of the studies is compared on a common ground. Through an analysis of the research papers conducted on a standardized basis, this survey aims to unravel the complexities and opportunities of integrating AI into cyber defense. The conclusions drawn from this collective analysis provide a comprehensive snapshot of the evolving landscape at the intersection of AI and cybersecurity. This landscape underscores the growing significance of not only anticipating and detecting threats but also responding to them effectively. Additionally, from these reviews, various research challenges for the future are presented. These challenges serve as a roadmap for researchers and practitioners in the field of AI-integrated reactive strategies.

Diffusion models trained on large datasets can synthesize photo-realistic images of remarkable quality and diversity. However, attributing these images back to the training data-that is, identifying specific training examples which caused an image to be generated-remains a challenge. In this paper, we propose a framework that: (i) provides a formal notion of data attribution in the context of diffusion models, and (ii) allows us to counterfactually validate such attributions. Then, we provide a method for computing these attributions efficiently. Finally, we apply our method to find (and evaluate) such attributions for denoising diffusion probabilistic models trained on CIFAR-10 and latent diffusion models trained on MS COCO. We provide code at https://github.com/MadryLab/journey-TRAK .

We develop an automated pipeline to streamline neural architecture codesign for fast, real-time Bragg peak analysis in high-energy diffraction microscopy. Traditional approaches, notably pseudo-Voigt fitting, demand significant computational resources, prompting interest in deep learning models for more efficient solutions. Our method employs neural architecture search and AutoML to enhance these models, including hardware costs, leading to the discovery of more hardware-efficient neural architectures. Our results match the performance, while achieving a 13$\times$ reduction in bit operations compared to the previous state-of-the-art. We show further speedup through model compression techniques such as quantization-aware-training and neural network pruning. Additionally, our hierarchical search space provides greater flexibility in optimization, which can easily extend to other tasks and domains.

Potential harms of Large Language Models such as mass misinformation and plagiarism can be partially mitigated if there exists a reliable way to detect machine generated text. In this paper, we propose a new watermarking method to detect machine-generated texts. Our method embeds a unique pattern within the generated text, ensuring that while the content remains coherent and natural to human readers, it carries distinct markers that can be identified algorithmically. Specifically, we intervene with the token sampling process in a way which enables us to trace back our token choices during the detection phase. We show how watermarking affects textual quality and compare our proposed method with a state-of-the-art watermarking method in terms of robustness and detectability. Through extensive experiments, we demonstrate the effectiveness of our watermarking scheme in distinguishing between watermarked and non-watermarked text, achieving high detection rates while maintaining textual quality.

In this work, we present Transformer-based Powered Descent Guidance (T-PDG), a scalable algorithm for reducing the computational complexity of the direct optimization formulation of the spacecraft powered descent guidance problem. T-PDG uses data from prior runs of trajectory optimization algorithms to train a transformer neural network, which accurately predicts the relationship between problem parameters and the globally optimal solution for the powered descent guidance problem. The solution is encoded as the set of tight constraints corresponding to the constrained minimum-cost trajectory and the optimal final time of landing. By leveraging the attention mechanism of transformer neural networks, large sequences of time series data can be accurately predicted when given only the spacecraft state and landing site parameters. When applied to the real problem of Mars powered descent guidance, T-PDG reduces the time for computing the 3 degree of freedom fuel-optimal trajectory, when compared to lossless convexification, from an order of 1-8 seconds to less than 500 milliseconds. A safe and optimal solution is guaranteed by including a feasibility check in T-PDG before returning the final trajectory.

In clinical artificial intelligence (AI), graph representation learning, mainly through graph neural networks (GNNs), stands out for its capability to capture intricate relationships within structured clinical datasets. With diverse data -- from patient records to imaging -- GNNs process data holistically by viewing modalities as nodes interconnected by their relationships. Graph AI facilitates model transfer across clinical tasks, enabling models to generalize across patient populations without additional parameters or minimal re-training. However, the importance of human-centered design and model interpretability in clinical decision-making cannot be overstated. Since graph AI models capture information through localized neural transformations defined on graph relationships, they offer both an opportunity and a challenge in elucidating model rationale. Knowledge graphs can enhance interpretability by aligning model-driven insights with medical knowledge. Emerging graph models integrate diverse data modalities through pre-training, facilitate interactive feedback loops, and foster human-AI collaboration, paving the way to clinically meaningful predictions.

Large Language Models (LLMs) combined with instruction tuning have made significant progress when generalizing to unseen tasks. However, they have been less successful in Information Extraction (IE), lagging behind task-specific models. Typically, IE tasks are characterized by complex annotation guidelines which describe the task and give examples to humans. Previous attempts to leverage such information have failed, even with the largest models, as they are not able to follow the guidelines out-of-the-box. In this paper we propose GoLLIE (Guideline-following Large Language Model for IE), a model able to improve zero-shot results on unseen IE tasks by virtue of being fine-tuned to comply with annotation guidelines. Comprehensive evaluation empirically demonstrates that GoLLIE is able to generalize to and follow unseen guidelines, outperforming previous attempts at zero-shot information extraction. The ablation study shows that detailed guidelines is key for good results.

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an open-source autoregressive transformer large language model (LLM), BioinspiredLLM, is reported. The model was finetuned with a corpus of over a thousand peer-reviewed articles in the field of structural biological and bio-inspired materials and can be prompted to recall information, assist with research tasks, and function as an engine for creativity. The model has proven that it is able to accurately recall information about biological materials and is further enhanced with enhanced reasoning ability, as well as with retrieval-augmented generation to incorporate new data during generation that can also help to traceback sources, update the knowledge base, and connect knowledge domains. BioinspiredLLM also has been shown to develop sound hypotheses regarding biological materials design and remarkably so for materials that have never been explicitly studied before. Lastly, the model showed impressive promise in collaborating with other generative artificial intelligence models in a workflow that can reshape the traditional materials design process. This collaborative generative artificial intelligence method can stimulate and enhance bio-inspired materials design workflows. Biological materials are at a critical intersection of multiple scientific fields and models like BioinspiredLLM help to connect knowledge domains.