Deep generative models are rapidly advancing structure-based drug design, offering substantial promise for generating small molecule ligands that bind to specific protein targets. However, most current approaches assume a rigid protein binding pocket, neglecting the intrinsic flexibility of proteins and the conformational rearrangements induced by ligand binding, limiting their applicability in practical drug discovery. Here, we propose Apo2Mol, a diffusion-based generative framework for 3D molecule design that explicitly accounts for conformational flexibility in protein binding pockets. To support this, we curate a dataset of over 24,000 experimentally resolved apo-holo structure pairs from the Protein Data Bank, enabling the characterization of protein structure changes associated with ligand binding. Apo2Mol employs a full-atom hierarchical graph-based diffusion model that simultaneously generates 3D ligand molecules and their corresponding holo pocket conformations from input apo states. Empirical studies demonstrate that Apo2Mol can achieve state-of-the-art performance in generating high-affinity ligands and accurately capture realistic protein pocket conformational changes.

With Retrieval Augmented Generation (RAG) becoming more and more prominent in generative AI solutions, there is an emerging need for systematically evaluating their effectiveness. We introduce the LiveRAG benchmark, a publicly available dataset of 895 synthetic questions and answers designed to support systematic evaluation of RAG-based Q&A systems. This synthetic benchmark is derived from the one used during the SIGIR'2025 LiveRAG Challenge, where competitors were evaluated under strict time constraints. It is augmented with information that was not made available to competitors during the Challenge, such as the ground-truth answers, together with their associated supporting claims which were used for evaluating competitors' answers. In addition, each question is associated with estimated difficulty and discriminability scores, derived from applying an Item Response Theory model to competitors' responses. Our analysis highlights the benchmark's questions diversity, the wide range of their difficulty levels, and their usefulness in differentiating between system capabilities. The LiveRAG benchmark will hopefully help the community advance RAG research, conduct systematic evaluation, and develop more robust Q&A systems.

Fires in industrial facilities pose special challenges to firefighters, e.g., due to the sheer size and scale of the buildings. The resulting visual obstructions impair firefighting accuracy, further compounded by inaccurate assessments of the fire's location. Such imprecision simultaneously increases the overall damage and prolongs the fire-brigades operation unnecessarily. We propose an automated assistance system for firefighting using a motorized fire monitor on a turntable ladder with aerial support from an unmanned aerial vehicle (UAV). The UAV flies autonomously within an obstacle-free flight funnel derived from geodata, detecting and localizing heat sources. An operator supervises the operation on a handheld controller and selects a fire target in reach. After the selection, the UAV automatically plans and traverses between two triangulation poses for continued fire localization. Simultaneously, our system steers the fire monitor to ensure the water jet reaches the detected heat source. In preliminary tests, our assistance system successfully localized multiple heat sources and directed a water jet towards the fires.

Communication compression is essential for scalable distributed training of modern machine learning models, but it often degrades convergence due to the noise it introduces. Error Feedback (EF) mechanisms are widely adopted to mitigate this issue of distributed compression algorithms. Despite their popularity and training efficiency, existing distributed EF algorithms often require prior knowledge of problem parameters (e.g., smoothness constants) to fine-tune stepsizes. This limits their practical applicability especially in large-scale neural network training. In this paper, we study normalized error feedback algorithms that combine EF with normalized updates, various momentum variants, and parameter-agnostic, time-varying stepsizes, thus eliminating the need for problem-dependent tuning. We analyze the convergence of these algorithms for minimizing smooth functions, and establish parameter-agnostic complexity bounds that are close to the best-known bounds with carefully-tuned problem-dependent stepsizes. Specifically, we show that normalized EF21 achieve the convergence rate of near ${O}(1/T^{1/4})$ for Polyak's heavy-ball momentum, ${O}(1/T^{2/7})$ for Iterative Gradient Transport (IGT), and ${O}(1/T^{1/3})$ for STORM and Hessian-corrected momentum. Our results hold with decreasing stepsizes and small mini-batches. Finally, our empirical experiments confirm our theoretical insights.

The autonomous driving (AD) system has exhibited remarkable performance in complex driving scenarios. However, generalization is still a key limitation for the current system, which refers to the ability to handle unseen scenarios or unfamiliar sensor configurations.Related works have explored the use of Vision-Language Models (VLMs) to address few-shot or zero-shot tasks. While promising, these methods introduce a new challenge: the emergence of a hybrid AD system, where two distinct systems are used to plan a trajectory, leading to potential inconsistencies. Alternative research directions have explored Vision-Language-Action (VLA) frameworks that generate control actions from VLM directly. However, these end-to-end solutions demonstrate prohibitive computational demands. To overcome these challenges, we introduce Risk Semantic Distillation (RSD), a novel framework that leverages VLMs to enhance the training of End-to-End (E2E) AD backbones. By providing risk attention for key objects, RSD addresses the issue of generalization. Specifically, we introduce RiskHead, a plug-in module that distills causal risk estimates from Vision-Language Models into Bird's-Eye-View (BEV) features, yielding interpretable risk-attention maps.This approach allows BEV features to learn richer and more nuanced risk attention representations, which directly enhance the model's ability to handle spatial boundaries and risky objects.By focusing on risk attention, RSD aligns better with human-like driving behavior, which is essential to navigate in complex and dynamic environments. Our experiments on the Bench2Drive benchmark demonstrate the effectiveness of RSD in managing complex and unpredictable driving conditions. Due to the enhanced BEV representations enabled by RSD, we observed a significant improvement in both perception and planning capabilities.

Using multiple carousels, lists that wrap around and can be scrolled, is the basis for offering content in most contemporary movie streaming platforms. Carousels allow for highlighting different aspects of users' taste, that fall in categories such as genres and authors. However, while carousels offer structure and greater ease of navigation, they alone do not increase diversity in recommendations, while this is essential to keep users engaged. In this work we propose several approaches to effectively increase item diversity within the domain of book recommendations, on top of a collaborative filtering algorithm. These approaches are intended to improve book recommendations in the web catalogs of public libraries. Furthermore, we introduce metrics to evaluate the resulting strategies, and show that the proposed system finds a suitable balance between accuracy and beyond-accuracy aspects.

Flexible robots hold great promise for enhancing minimally invasive surgery (MIS) by providing superior dexterity, precise control, and safe tissue interaction. Yet, translating these advantages into endoscopic interventions within open cavities remains challenging. The lack of anatomical constraints and the inherent flexibility of such devices complicate their control, while the limited field of view of endoscopes restricts situational awareness. We present a robotic platform designed to overcome these challenges and demonstrate its potential in fetoscopic laser coagulation, a complex MIS procedure typically performed only by highly experienced surgeons. Our system combines a magnetically actuated flexible endoscope with teleoperated and semi-autonomous navigation capabilities for performing targeted laser ablations. To enhance surgical awareness, the platform reconstructs real-time mosaics of the endoscopic scene, providing an extended and continuous visual context. The ability of this system to address the key limitations of MIS in open spaces is validated in vivo in an ovine model.

Continuous cardiovascular monitoring can play a key role in precision health. However, some fundamental cardiac biomarkers of interest, including stroke volume and cardiac output, require invasive measurements, e.g., arterial pressure waveforms (APW). As a non-invasive alternative, photoplethysmography (PPG) measurements are routinely collected in hospital settings. Unfortunately, the prediction of key cardiac biomarkers from PPG instead of APW remains an open challenge, further complicated by the scarcity of annotated PPG measurements. As a solution, we propose a hybrid approach that uses hemodynamic simulations and unlabeled clinical data to estimate cardiovascular biomarkers directly from PPG signals. Our hybrid model combines a conditional variational autoencoder trained on paired PPG-APW data with a conditional density estimator of cardiac biomarkers trained on labeled simulated APW segments. As a key result, our experiments demonstrate that the proposed approach can detect fluctuations of cardiac output and stroke volume and outperform a supervised baseline in monitoring temporal changes in these biomarkers.

We present Tell Me, a mental well-being system that leverages advances in large language models to provide accessible, context-aware support for users and researchers. The system integrates three components: (i) a retrieval-augmented generation (RAG) assistant for personalized, knowledge-grounded dialogue; (ii) a synthetic client-therapist dialogue generator conditioned on client profiles to facilitate research on therapeutic language and data augmentation; and (iii) a Well-being AI crew, implemented with CrewAI, that produces weekly self-care plans and guided meditation audio. The system is designed as a reflective space for emotional processing rather than a substitute for professional therapy. It illustrates how conversational assistants can lower barriers to support, complement existing care, and broaden access to mental health resources. To address the shortage of confidential therapeutic data, we introduce synthetic client-therapist dialogue generation conditioned on client profiles. Finally, the planner demonstrates an innovative agentic workflow for dynamically adaptive, personalized self-care, bridging the limitations of static well-being tools. We describe the architecture, demonstrate its functionalities, and report evaluation of the RAG assistant in curated well-being scenarios using both automatic LLM-based judgments and a human-user study. This work highlights opportunities for interdisciplinary collaboration between NLP researchers and mental health professionals to advance responsible innovation in human-AI interaction for well-being.

In the development of safety and mission-critical systems, including autonomous space robotic missions, complex behaviour is captured during the requirements elicitation phase. Requirements are typically expressed using natural language which is ambiguous and not amenable to formal verification methods that can provide robust guarantees of system behaviour. To support the definition of formal requirements, specification patterns provide reusable, logic-based templates. A suite of robotic specification patterns, along with their formalisation in NASA's Formal Requirements Elicitation Tool (FRET) already exists. These pre-existing requirement patterns are domain agnostic and, in this paper we explore their applicability for space missions. To achieve this we carried out a literature review of existing space missions and formalised their requirements using FRET, contributing a corpus of space mission requirements. We categorised these requirements using pre-existing specification patterns which demonstrated their applicability in space missions. However, not all of the requirements that we formalised corresponded to an existing pattern so we have contributed 5 new requirement specification patterns as well as several variants of the existing and new patterns. We also conducted an expert evaluation of the new patterns, highlighting their benefits and limitations.