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Publications
Considerations and recommendations from the ISMRM diffusion study group for preclinical diffusion MRI: Part 1: In vivo small‐animal imaging
Small-animal diffusion MRI (dMRI) has been used for methodological development and validation, characterizing the biological basis of diffus… (voir plus)ion phenomena, and comparative anatomy. The steps from animal setup and monitoring, to acquisition, analysis, and interpretation are complex, with many decisions that may ultimately affect what questions can be answered using the resultant data. This work aims to present selected considerations and recommendations from the diffusion community on best practices for preclinical dMRI of in vivo animals. We describe the general considerations and foundational knowledge that must be considered when designing experiments. We briefly describe differences in animal species and disease models and discuss why some may be more or less appropriate for different studies. We, then, give recommendations for in vivo acquisition protocols, including decisions on hardware, animal preparation, and imaging sequences, followed by advice for data processing including preprocessing, model-fitting, and tractography. Finally, we provide an online resource that lists publicly available preclinical dMRI datasets and software packages to promote responsible and reproducible research. In each section, we attempt to provide guides and recommendations, but also highlight areas for which no guidelines exist (and why), and where future work should focus. Although we mainly cover the central nervous system (on which most preclinical dMRI studies are focused), we also provide, where possible and applicable, recommendations for other organs of interest. An overarching goal is to enhance the rigor and reproducibility of small animal dMRI acquisitions and analyses, and thereby advance biomedical knowledge.
Considerations and recommendations from the ISMRM Diffusion Study Group for preclinical diffusion MRI: Part 3 -- Ex vivo imaging: data processing, comparisons with microscopy, and tractography
Considerations and recommendations from the <scp>ISMRM</scp> diffusion study group for preclinical diffusion <scp>MRI</scp>: Part 1: In vivo small‐animal imaging
Recent innovations in architecture, pre-training, and fine-tuning have led to the remarkable in-context learning and reasoning abilities of … (voir plus)large auto-regressive language models such as LLaMA and DeepSeek. In contrast, encoders like BERT and RoBERTa have not seen the same level of progress despite being foundational for many downstream NLP applications. To bridge this gap, we introduce NeoBERT, a next-generation encoder that redefines the capabilities of bidirectional models by integrating state-of-the-art advancements in architecture, modern data, and optimized pre-training methodologies. NeoBERT is designed for seamless adoption: it serves as a plug-and-play replacement for existing base models, relies on an optimal depth-to-width ratio, and leverages an extended context length of 4,096 tokens. Despite its compact 250M parameter footprint, it achieves state-of-the-art results on the massive MTEB benchmark, outperforming BERT large, RoBERTa large, NomicBERT, and ModernBERT under identical fine-tuning conditions. In addition, we rigorously evaluate the impact of each modification on GLUE and design a uniform fine-tuning and evaluation framework for MTEB. We release all code, data, checkpoints, and training scripts to accelerate research and real-world adoption.
Robotics can help address the growing worker shortage challenge of the manufacturing industry. As such, machine tending is a task collaborat… (voir plus)ive robots can tackle that can also highly boost productivity. Nevertheless, existing robotics systems deployed in that sector rely on a fixed single-arm setup, whereas mobile robots can provide more flexibility and scalability. In this work, we introduce a multi-agent multi-machine tending learning framework by mobile robots based on Multi-agent Reinforcement Learning (MARL) techniques with the design of a suitable observation and reward. Moreover, an attention-based encoding mechanism is developed and integrated into Multi-agent Proximal Policy Optimization (MAPPO) algorithm to boost its performance for machine tending scenarios. Our model (AB-MAPPO) outperformed MAPPO in this new challenging scenario in terms of task success, safety, and resources utilization. Furthermore, we provided an extensive ablation study to support our various design decisions.
Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators… (voir plus) tackle this problem by pairing powerful normalizing flows with importance sampling to obtain statistically independent samples under the target distribution. In this paper, we extend the Boltzmann generator framework and introduce Sequential Boltzmann generators (SBG) with two key improvements. The first is a highly efficient non-equivariant Transformer-based normalizing flow operating directly on all-atom Cartesian coordinates. In contrast to equivariant continuous flows of prior methods, we leverage exactly invertible non-equivariant architectures which are highly efficient both during sample generation and likelihood computation. As a result, this unlocks more sophisticated inference strategies beyond standard importance sampling. More precisely, as a second key improvement we perform inference-time scaling of flow samples using annealed Langevin dynamics which transports samples toward the target distribution leading to lower variance (annealed) importance weights which enable higher fidelity resampling with sequential Monte Carlo. SBG achieves state-of-the-art performance w.r.t. all metrics on molecular systems, demonstrating the first equilibrium sampling in Cartesian coordinates of tri, tetra, and hexapeptides that were so far intractable for prior Boltzmann generators.
Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators… (voir plus) tackle this problem by pairing powerful normalizing flows with importance sampling to obtain statistically independent samples under the target distribution. In this paper, we extend the Boltzmann generator framework and introduce Sequential Boltzmann generators (SBG) with two key improvements. The first is a highly efficient non-equivariant Transformer-based normalizing flow operating directly on all-atom Cartesian coordinates. In contrast to equivariant continuous flows of prior methods, we leverage exactly invertible non-equivariant architectures which are highly efficient both during sample generation and likelihood computation. As a result, this unlocks more sophisticated inference strategies beyond standard importance sampling. More precisely, as a second key improvement we perform inference-time scaling of flow samples using annealed Langevin dynamics which transports samples toward the target distribution leading to lower variance (annealed) importance weights which enable higher fidelity resampling with sequential Monte Carlo. SBG achieves state-of-the-art performance w.r.t. all metrics on molecular systems, demonstrating the first equilibrium sampling in Cartesian coordinates of tri, tetra, and hexapeptides that were so far intractable for prior Boltzmann generators.
