Recently, diffusion- and flow-based generative models of protein structures have emerged as a powerful tool for de novo protein design. Here, we develop Proteina, a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and relies on a tailored scalable transformer architecture with up to 5x as many parameters as previous models. To meaningfully quantify performance, we introduce a new set of metrics that directly measure the distributional similarity of generated proteins with reference sets, complementing existing metrics. We further explore scaling training data to millions of synthetic protein structures and explore improved training and sampling recipes adapted to protein backbone generation. This includes fine-tuning strategies like LoRA for protein backbones, new guidance methods like classifier-free guidance and autoguidance for protein backbones, and new adjusted training objectives. Proteina achieves state-of-the-art performance on de novo protein backbone design and produces diverse and designable proteins at unprecedented length, up to 800 residues. The hierarchical conditioning offers novel control, enabling high-level secondary-structure guidance as well as low-level fold-specific generation.

Understanding how urban environments are perceived in terms of safety is crucial for urban planning and policymaking. Traditional methods like surveys are limited by high cost, required time, and scalability issues. To overcome these challenges, this study introduces Large Multimodal Models (LMMs), specifically Llava 1.6 7B, as a novel approach to assess safety perceptions of urban spaces using street-view images. In addition, the research investigated how this task is affected by different socio-demographic perspectives, simulated by the model through Persona-based prompts. Without additional fine-tuning, the model achieved an average F1-score of 59.21% in classifying urban scenarios as safe or unsafe, identifying three key drivers of perceived unsafety: isolation, physical decay, and urban infrastructural challenges. Moreover, incorporating Persona-based prompts revealed significant variations in safety perceptions across the socio-demographic groups of age, gender, and nationality. Elder and female Personas consistently perceive higher levels of unsafety than younger or male Personas. Similarly, nationality-specific differences were evident in the proportion of unsafe classifications ranging from 19.71% in Singapore to 40.15% in Botswana. Notably, the model's default configuration aligned most closely with a middle-aged, male Persona. These findings highlight the potential of LMMs as a scalable and cost-effective alternative to traditional methods for urban safety perceptions. While the sensitivity of these models to socio-demographic factors underscores the need for thoughtful deployment, their ability to provide nuanced perspectives makes them a promising tool for AI-driven urban planning.

Brain foundation models (BFMs) have emerged as a transformative paradigm in computational neuroscience, offering a revolutionary framework for processing diverse neural signals across different brain-related tasks. These models leverage large-scale pre-training techniques, allowing them to generalize effectively across multiple scenarios, tasks, and modalities, thus overcoming the traditional limitations faced by conventional artificial intelligence (AI) approaches in understanding complex brain data. By tapping into the power of pretrained models, BFMs provide a means to process neural data in a more unified manner, enabling advanced analysis and discovery in the field of neuroscience. In this survey, we define BFMs for the first time, providing a clear and concise framework for constructing and utilizing these models in various applications. We also examine the key principles and methodologies for developing these models, shedding light on how they transform the landscape of neural signal processing. This survey presents a comprehensive review of the latest advancements in BFMs, covering the most recent methodological innovations, novel views of application areas, and challenges in the field. Notably, we highlight the future directions and key challenges that need to be addressed to fully realize the potential of BFMs. These challenges include improving the quality of brain data, optimizing model architecture for better generalization, increasing training efficiency, and enhancing the interpretability and robustness of BFMs in real-world applications.

One of the main barriers to adoption of Machine Learning (ML) is that ML models can fail unexpectedly. In this work, we aim to provide practitioners a guide to better understand why ML models fail and equip them with techniques they can use to reason about failure. Specifically, we discuss failure as either being caused by lack of reliability or lack of robustness. Differentiating the causes of failure in this way allows us to formally define why models fail from first principles and tie these definitions to engineering concepts and real-world deployment settings. Throughout the document we provide 1) a summary of important theoretic concepts in reliability and robustness, 2) a sampling current techniques that practitioners can utilize to reason about ML model reliability and robustness, and 3) examples that show how these concepts and techniques can apply to real-world settings.

Wake vortices - strong, coherent air turbulences created by aircraft - pose a significant risk to aviation safety and therefore require accurate and reliable detection methods. In this paper, we present an advanced, explainable machine learning method that utilizes Light Detection and Ranging (LiDAR) data for effective wake vortex detection. Our method leverages a dynamic graph CNN (DGCNN) with semantic segmentation to partition a 3D LiDAR point cloud into meaningful segments. Further refinement is achieved through clustering techniques. A novel feature of our research is the use of a perturbation-based explanation technique, which clarifies the model's decision-making processes for air traffic regulators and controllers, increasing transparency and building trust. Our experimental results, based on measured and simulated LiDAR scans compared against four baseline methods, underscore the effectiveness and reliability of our approach. This combination of semantic segmentation and clustering for real-time wake vortex tracking significantly advances aviation safety measures, ensuring that these are both effective and comprehensible.

Task-oriented grasping (TOG) is essential for robots to perform manipulation tasks, requiring grasps that are both stable and compliant with task-specific constraints. Humans naturally grasp objects in a task-oriented manner to facilitate subsequent manipulation tasks. By leveraging human grasp demonstrations, current methods can generate high-quality robotic parallel-jaw task-oriented grasps for diverse objects and tasks. However, they still encounter challenges in maintaining grasp stability and sampling efficiency. These methods typically rely on a two-stage process: first performing exhaustive task-agnostic grasp sampling in the 6-DoF space, then applying demonstration-induced constraints (e.g., contact regions and wrist orientations) to filter candidates. This leads to inefficiency and potential failure due to the vast sampling space. To address this, we propose the Human-guided Grasp Diffuser (HGDiffuser), a diffusion-based framework that integrates these constraints into a guided sampling process. Through this approach, HGDiffuser directly generates 6-DoF task-oriented grasps in a single stage, eliminating exhaustive task-agnostic sampling. Furthermore, by incorporating Diffusion Transformer (DiT) blocks as the feature backbone, HGDiffuser improves grasp generation quality compared to MLP-based methods. Experimental results demonstrate that our approach significantly improves the efficiency of task-oriented grasp generation, enabling more effective transfer of human grasping strategies to robotic systems. To access the source code and supplementary videos, visit https://sites.google.com/view/hgdiffuser.

Using Machine Learning for move sequence visualization and generation in climbing Thomas Rimbot, Martin Jaggi, Luis Barba - EPFL Abstract --In this work, we investigate the application of Machine Learning techniques to sport climbing. Expanding upon previous projects, we develop a visualization tool for move sequence evaluation on a given boulder . Then, we look into move sequence prediction from simple holds sequence information using three different Transformer models. While the results are not conclusive, they are a first step in this kind of approach and lay the ground for future work. I NTRODUCTION Applying Machine Learning techniques to competitive sport has been an increasing trend in the past few years. We can for example cite the case of car racing or hockey. In this project, we focus on bouldering, a form of rock climbing where athletes are tasked with overcoming a small natural or artificial feature (about 4m high), requiring both physical strengths and problem-solving skills.

Hohenberg and Kohn have proven that the electronic energy and the one-particle electron density can, in principle, be obtained by minimizing an energy functional with respect to the density. Given that decades of theoretical work have so far failed to produce this elusive exact energy functional promising great computational savings, it is reasonable to try and learn it empirically. Using rotationally equivariant atomistic machine learning, we obtain for the first time a density functional that, when applied to the organic molecules in QM9, yields energies with chemical accuracy while also converging to meaningful electron densities. Augmenting the training data with densities obtained from perturbed potentials proved key to these advances. Altogether, we are now closer than ever to fulfilling Hohenberg and Kohn's promise, paving the way for more efficient calculations in large molecular systems. 1 arXiv:2503.00443v1 The proof marked a radical departure from most prior work, which had ...

The proliferation of Internet of Things devices and advances in communication technology have unleashed an explosion of personal data, amplifying privacy concerns amid stringent regulations like GDPR and CCPA. Federated Learning offers a privacy preserving solution by enabling collaborative model training across decentralized devices without centralizing sensitive data. However, statistical heterogeneity from non-independent and identically distributed datasets and system heterogeneity due to client dropouts particularly those with monopolistic classes severely degrade the global model's performance. To address these challenges, we propose the Asynchronous Personalized Federated Learning framework, which empowers clients to develop personalized models using a server side semantic generator. This generator, trained via data free knowledge transfer under global model supervision, enhances client data diversity by producing both seen and unseen samples, the latter enabled by Zero-Shot Learning to mitigate dropout-induced data loss. To counter the risks of synthetic data impairing training, we introduce a decoupled model interpolation method, ensuring robust personalization. Extensive experiments demonstrate that AP FL significantly outperforms state of the art FL methods in tackling non-IID distributions and client dropouts, achieving superior accuracy and resilience across diverse real-world scenarios.

We propose BGM2Pose, a non-invasive 3D human pose estimation method using arbitrary music (e.g., background music) as active sensing signals. Unlike existing approaches that significantly limit practicality by employing intrusive chirp signals within the audible range, our method utilizes natural music that causes minimal discomfort to humans. Estimating human poses from standard music presents significant challenges. In contrast to sound sources specifically designed for measurement, regular music varies in both volume and pitch. These dynamic changes in signals caused by music are inevitably mixed with alterations in the sound field resulting from human motion, making it hard to extract reliable cues for pose estimation. To address these challenges, BGM2Pose introduces a Contrastive Pose Extraction Module that employs contrastive learning and hard negative sampling to eliminate musical components from the recorded data, isolating the pose information. Additionally, we propose a Frequency-wise Attention Module that enables the model to focus on subtle acoustic variations attributable to human movement by dynamically computing attention across frequency bands. Experiments suggest that our method outperforms the existing methods, demonstrating substantial potential for real-world applications. Our datasets and code will be made publicly available.