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Robust low-rank training via approximate orthonormal constraints

Neural Information Processing Systems

By modeling robustness in terms of the condition number of the neural network, we argue that this loss of robustness is due to the exploding singular values of the low-rank weight matrices.


Toward an AI Reasoning-Enabled System for Patient-Clinical Trial Matching

Leach, Caroline N., Klusty, Mitchell A., Armstrong, Samuel E., Pickarski, Justine C., Hankins, Kristen L., Collier, Emily B., Shah, Maya, Mullen, Aaron D., Bumgardner, V. K. Cody

arXiv.org Artificial Intelligence

Screening patients for clinical trial eligibility remains a manual, time - consuming, and resource-intensive process. W e present a secure, scalable proof-of - concept system for Artificial Intelligence ( AI)- augmented patient - trial matching that addresses key implementation challenges: integrating heterogeneous electronic health record (EHR) data, facilitating expert review, and maintaining rigorous security standards. Leveraging open-source, reasoning-enabled large language models (LLMs), the system moves beyond binary classification to generate structured eligibility assessments with interpretable reasoning chains that support human-in - the - loop review. This decision support tool represents eligibility as a dynamic state rather than a fixed determination, identifying matches whe n available and offering actionable recommendations that could render a patient eligible in the future . The system aims to reduce coordinator burden, intelligently broaden the set of trials considered for each patient and guarantee comprehensive auditability of all AI - generated outputs. Introduction Applications of artificial intelligence (AI) in healthcare are increasingly focused on improving administrative efficiency and optimizing clinical workflows . Identifying relevant trials and screening them for a particular patient is traditionally manual, time - consuming, and heavily reliant on clinical expertise.


SustainDiffusion: Optimising the Social and Environmental Sustainability of Stable Diffusion Models

d'Aloisio, Giordano, Fadahunsi, Tosin, Choy, Jay, Moussa, Rebecca, Sarro, Federica

arXiv.org Artificial Intelligence

Background: Text-to-image generation models are widely used across numerous domains. Among these models, Stable Diffusion (SD) - an open-source text-to-image generation model - has become the most popular, producing over 12 billion images annually. However, the widespread use of these models raises concerns regarding their social and environmental sustainability. Aims: To reduce the harm that SD models may have on society and the environment, we introduce SustainDiffusion, a search-based approach designed to enhance the social and environmental sustainability of SD models. Method: SustainDiffusion searches the optimal combination of hyperparameters and prompt structures that can reduce gender and ethnic bias in generated images while also lowering the energy consumption required for image generation. Importantly, SustainDiffusion maintains image quality comparable to that of the original SD model. Results: We conduct a comprehensive empirical evaluation of SustainDiffusion, testing it against six different baselines using 56 different prompts. Our results demonstrate that SustainDiffusion can reduce gender bias in SD3 by 68%, ethnic bias by 59%, and energy consumption (calculated as the sum of CPU and GPU energy) by 48%. Additionally, the outcomes produced by SustainDiffusion are consistent across multiple runs and can be generalised to various prompts. Conclusions: With SustainDiffusion, we demonstrate how enhancing the social and environmental sustainability of text-to-image generation models is possible without fine-tuning or changing the model's architecture.




From Classical to Hybrid: A Practical Framework for Quantum-Enhanced Learning

Illésová, Silvie, Bezděk, Tomáš, Novák, Vojtěch, Zelinka, Ivan, Cacciatore, Stefano, Beseda, Martin

arXiv.org Artificial Intelligence

This work addresses the challenge of enabling practitioners without quantum expertise to transition from classical to hybrid quantum-classical machine learning workflows. We propose a three-stage framework: starting with a classical self-training model, then introducing a minimal hybrid quantum variant, and finally applying diagnostic feedback via QMetric to refine the hybrid architecture. In experiments on the Iris dataset, the refined hybrid model improved accuracy from 0.31 in the classical approach to 0.87 in the quantum approach. These results suggest that even modest quantum components, when guided by proper diagnostics, can enhance class separation and representation capacity in hybrid learning, offering a practical pathway for classical machine learning practitioners to leverage quantum-enhanced methods.


FLOWR.root: A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction

Cremer, Julian, Le, Tuan, Ghahremanpour, Mohammad M., Sługocka, Emilia, Menezes, Filipe, Clevert, Djork-Arné

arXiv.org Artificial Intelligence

We present FLOWR:root, an equivariant flow-matching model for pocket-aware 3D ligand generation with joint binding affinity prediction and confidence estimation. The model supports de novo generation, pharmacophore-conditional sampling, fragment elaboration, and multi-endpoint affinity prediction (pIC50, pKi, pKd, pEC50). Training combines large-scale ligand libraries with mixed-fidelity protein-ligand complexes, followed by refinement on curated co-crystal datasets and parameter-efficient finetuning for project-specific adaptation. FLOWR:root achieves state-of-the-art performance in unconditional 3D molecule generation and pocket-conditional ligand design, producing geometrically realistic, low-strain structures. The integrated affinity prediction module demonstrates superior accuracy on the SPINDR test set and outperforms recent models on the Schrodinger FEP+/OpenFE benchmark with substantial speed advantages. As a foundation model, FLOWR:root requires finetuning on project-specific datasets to account for unseen structure-activity landscapes, yielding strong correlation with experimental data. Joint generation and affinity prediction enable inference-time scaling through importance sampling, steering molecular design toward higher-affinity compounds. Case studies validate this: selective CK2$α$ ligand generation against CLK3 shows significant correlation between predicted and quantum-mechanical binding energies, while ER$α$, TYK2 and BACE1 scaffold elaboration demonstrates strong agreement with QM calculations. By integrating structure-aware generation, affinity estimation, and property-guided sampling, FLOWR:root provides a comprehensive foundation for structure-based drug design spanning hit identification through lead optimization.


A Simple Logic of Cohesive Group Agency

Troquard, Nicolas

arXiv.org Artificial Intelligence

We propose a structure to represent the social fabric of a group. We call it the `cohesion network' of the group. It can be seen as a graph whose vertices are strict subgroups and whose edges indicate a prescribed `pro-social behaviour' from one subgroup towards another. In social psychology, pro-social behaviours are building blocks of full-blown cooperation, which we assimilate here with `group cohesiveness'. We then define a formal framework to study cohesive group agency. To do so, we simply instantiate pro-social behaviour with the more specific relation of `successful assistance' between acting entities in a group. The relations of assistance within a group at the moment of agency constitute the social fabric of the cohesive group agency. We build our logical theory upon the logic of agency "bringing-it-about". We obtain a family of logics of cohesive group agency, one for every class of cohesion networks.


RobEthiChor: Automated Context-aware Ethics-based Negotiation for Autonomous Robots

Memon, Mashal Afzal, Filippone, Gianluca, Scoccia, Gian Luca, Autili, Marco, Inverardi, Paola

arXiv.org Artificial Intelligence

The presence of autonomous systems is growing at a fast pace and it is impacting many aspects of our lives. Designed to learn and act independently, these systems operate and perform decision-making without human intervention. However, they lack the ability to incorporate users' ethical preferences, which are unique for each individual in society and are required to personalize the decision-making processes. This reduces user trust and prevents autonomous systems from behaving according to the moral beliefs of their end-users. When multiple systems interact with differing ethical preferences, they must negotiate to reach an agreement that satisfies the ethical beliefs of all the parties involved and adjust their behavior consequently. To address this challenge, this paper proposes RobEthiChor, an approach that enables autonomous systems to incorporate user ethical preferences and contextual factors into their decision-making through ethics-based negotiation. RobEthiChor features a domain-agnostic reference architecture for designing autonomous systems capable of ethic-based negotiating. The paper also presents RobEthiChor-Ros, an implementation of RobEthiChor within the Robot Operating System (ROS), which can be deployed on robots to provide them with ethics-based negotiation capabilities. To evaluate our approach, we deployed RobEthiChor-Ros on real robots and ran scenarios where a pair of robots negotiate upon resource contention. Experimental results demonstrate the feasibility and effectiveness of the system in realizing ethics-based negotiation. RobEthiChor allowed robots to reach an agreement in more than 73% of the scenarios with an acceptable negotiation time (0.67s on average). Experiments also demonstrate that the negotiation approach implemented in RobEthiChor is scalable.