Overview
Open and Sustainable AI: challenges, opportunities and the road ahead in the life sciences (October 2025 -- Version 2)
Farrell, Gavin, Adamidi, Eleni, Buono, Rafael Andrade, Anton, Mihail, Attafi, Omar Abdelghani, Gutierrez, Salvador Capella, Capriotti, Emidio, Castro, Leyla Jael, Cirillo, Davide, Crossman, Lisa, Dessimoz, Christophe, Dimopoulos, Alexandros, Fernandez-Diaz, Raul, Fragkouli, Styliani-Christina, Goble, Carole, Gu, Wei, Hancock, John M., Khanteymoori, Alireza, Lenaerts, Tom, Liberante, Fabio G., Maccallum, Peter, Monzon, Alexander Miguel, Palmblad, Magnus, Poveda, Lucy, Radulescu, Ovidiu, Shields, Denis C., Sufi, Shoaib, Vergoulis, Thanasis, Psomopoulos, Fotis, Tosatto, Silvio C. E.
Artificial intelligence (AI) has recently seen transformative breakthroughs in the life sciences, expanding possibilities for researchers to interpret biological information at an unprecedented capacity, with novel applications and advances being made almost daily. In order to maximise return on the growing investments in AI-based life science research and accelerate this progress, it has become urgent to address the exacerbation of long-standing research challenges arising from the rapid adoption of AI methods. We review the increased erosion of trust in AI research outputs, driven by the issues of poor reusability and reproducibility, and highlight their consequent impact on environmental sustainability. Furthermore, we discuss the fragmented components of the AI ecosystem and lack of guiding pathways to best support Open and Sustainable AI (OSAI) model development. In response, this perspective introduces a practical set of OSAI recommendations directly mapped to over 300 components of the AI ecosystem and provides guiding implementation pathways. Our work connects researchers with relevant AI resources, facilitating the implementation of sustainable, reusable and reproducible AI. Built upon life science community consensus and aligned to existing efforts, the outputs of this perspective are designed to aid the future development of policy and additional structured pathways for guiding AI implementation.
MaxPoolBERT: Enhancing BERT Classification via Layer- and Token-Wise Aggregation
Behrendt, Maike, Wagner, Stefan Sylvius, Harmeling, Stefan
The [CLS] token in BERT is commonly used as a fixed-length representation for classification tasks, yet prior work has shown that both other tokens and intermediate layers encode valuable contextual information. In this work, we study lightweight extensions to BERT that refine the [CLS] representation by aggregating information across layers and tokens. Specifically, we explore three modifications: (i) max-pooling the [CLS] token across multiple layers, (ii) enabling the [CLS] token to attend over the entire final layer using an additional multi-head attention (MHA) layer, and (iii) combining max-pooling across the full sequence with MHA. Our approach, called MaxPoolBERT, enhances BERT's classification accuracy (especially on low-resource tasks) without requiring new pre-training or significantly increasing model size. Experiments on the GLUE benchmark show that MaxPoolBERT consistently achieves a better performance than the standard BERT base model on low resource tasks of the GLUE benchmark.
Gen-C: Populating Virtual Worlds with Generative Crowds
Panayiotou, Andreas, Charalambous, Panayiotis, Karamouzas, Ioannis
Over the past two decades, researchers have made significant steps in simulating agent-based human crowds, yet most efforts remain focused on low-level tasks such as collision avoidance, path following, and flocking. Realistic simulations, however, require modeling high-level behaviors that emerge from agents interacting with each other and with their environment over time. We introduce Generative Crowds (Gen-C), a generative framework that produces crowd scenarios capturing agent-agent and agent-environment interactions, shaping coherent high-level crowd plans. To avoid the labor-intensive process of collecting and annotating real crowd video data, we leverage large language models (LLMs) to bootstrap synthetic datasets of crowd scenarios. We propose a time-expanded graph representation, encoding actions, interactions, and spatial context. Gen-C employs a dual Variational Graph Autoencoder (VGAE) architecture that jointly learns connectivity patterns and node features conditioned on textual and structural signals, overcoming the limitations of direct LLM generation to enable scalable, environment-aware multi-agent crowd simulations. We demonstrate the effectiveness of Gen-C on scenarios with diverse behaviors such as a University Campus and a Train Station, showing that it generates heterogeneous crowds, coherent interactions, and high-level decision-making patterns consistent with real-world crowd dynamics.
Reasoning Pattern Matters: Learning to Reason without Human Rationales
Pang, Chaoxu, Cao, Yixuan, Luo, Ping
Large Language Models (LLMs) have demonstrated remarkable reasoning capabilities under the widely adopted SFT+RLVR paradigm, which first performs Supervised Fine-Tuning (SFT) on human-annotated reasoning trajectories (rationales) to establish initial reasoning behaviors, then applies Reinforcement Learning with Verifiable Rewards (RLVR) to optimize the model using verifiable signals without golden rationales. However, annotating high-quality rationales for the SFT stage remains prohibitively expensive. This paper investigates when and how rationale annotation costs can be substantially reduced without compromising reasoning performance. We identify a broad class of problems, termed patterned reasoning tasks, where reasoning follows a fixed, procedural strategy consistent across instances. Although instances vary in content such as domain knowledge, factual information, or numeric values, the solution derives from applying a shared reasoning pattern. We argue that the success of SFT+RLVR on such tasks primarily stems from its ability to enable models to internalize these reasoning patterns. Using numerical semantic matching as a representative task, we provide both causal and behavioral evidence showing that reasoning patterns rather than the quantity or quality of rationales are the key determinant of performance. Building on these insights, we propose Pattern-Aware LLMs as Rationale AnnOtators (PARO), a simple yet effective framework that enables LLMs to generate rationales aligned with task-specific reasoning patterns without requiring human rationale annotations. Experiments show that PARO-generated rationales achieve comparable SFT+RLVR performance to human rationales that are 10 times larger. These results suggest that large-scale human rationale annotations can be replaced with LLM-based automatic annotations requiring only limited human supervision over reasoning patterns.
Runtime Composition in Dynamic System of Systems: A Systematic Review of Challenges, Solutions, Tools, and Evaluation Methods
Ashfaq, Muhammad, Sadik, Ahmed R., Das, Teerath, Waseem, Muhammad, Makitalo, Niko, Mikkonen, Tommi
Context: Modern Systems of Systems (SoSs) increasingly operate in dynamic environments (e.g., smart cities, autonomous vehicles) where runtime composition -- the on-the-fly discovery, integration, and coordination of constituent systems (CSs)--is crucial for adaptability. Despite growing interest, the literature lacks a cohesive synthesis of runtime composition in dynamic SoSs. Objective: This study synthesizes research on runtime composition in dynamic SoSs and identifies core challenges, solution strategies, supporting tools, and evaluation methods. Methods: We conducted a Systematic Literature Review (SLR), screening 1,774 studies published between 2019 and 2024 and selecting 80 primary studies for thematic analysis (TA). Results: Challenges fall into four categories: modeling and analysis, resilient operations, system orchestration, and heterogeneity of CSs. Solutions span seven areas: co-simulation and digital twins, semantic ontologies, integration frameworks, adaptive architectures, middleware, formal methods, and AI-driven resilience. Service-oriented frameworks for composition and integration dominate tooling, while simulation platforms support evaluation. Interoperability across tools, limited cross-toolchain workflows, and the absence of standardized benchmarks remain key gaps. Evaluation approaches include simulation-based, implementation-driven, and human-centered studies, which have been applied in domains such as smart cities, healthcare, defense, and industrial automation. Conclusions: The synthesis reveals tensions, including autonomy versus coordination, the modeling-reality gap, and socio-technical integration. It calls for standardized evaluation metrics, scalable decentralized architectures, and cross-domain frameworks. The analysis aims to guide researchers and practitioners in developing and implementing dynamically composable SoSs.
Research in Collaborative Learning Does Not Serve Cross-Silo Federated Learning in Practice
Kuo, Kevin, Yadav, Chhavi, Smith, Virginia
Cross-silo federated learning (FL) is a promising approach to enable cross-organization collaboration in machine learning model development without directly sharing private data. Despite growing organizational interest driven by data protection regulations such as GDPR and HIPAA, the adoption of cross-silo FL remains limited in practice. In this paper, we conduct an interview study to understand the practical challenges associated with cross-silo FL adoption. With interviews spanning a diverse set of stakeholders such as user organizations, software providers, and academic researchers, we uncover various barriers, from concerns about model performance to questions of incentives and trust between participating organizations. Our study shows that cross-silo FL faces a set of challenges that have yet to be well-captured by existing research in the area and are quite distinct from other forms of federated learning such as cross-device FL. We end with a discussion on future research directions that can help overcome these challenges.
On the Design and Evaluation of Human-centered Explainable AI Systems: A Systematic Review and Taxonomy
Mangold, Aline, Zietz, Juliane, Weinhold, Susanne, Pannasch, Sebastian
As AI becomes more common in everyday living, there is an increasing demand for intelligent systems that are both performant and understandable. Explainable AI (XAI) systems aim to provide comprehensible explanations of decisions and predictions. At present, however, evaluation processes are rather technical and not sufficiently focused on the needs of human users. Consequently, evaluation studies involving human users can serve as a valuable guide for conducting user studies. This paper presents a comprehensive review of 65 user studies evaluating XAI systems across different domains and application contexts. As a guideline for XAI developers, we provide a holistic overview of the properties of XAI systems and evaluation metrics focused on human users (human-centered). We propose objectives for the human-centered design (design goals) of XAI systems. To incorporate users' specific characteristics, design goals are adapted to users with different levels of AI expertise (AI novices and data experts). In this regard, we provide an extension to existing XAI evaluation and design frameworks. The first part of our results includes the analysis of XAI system characteristics. An important finding is the distinction between the core system and the XAI explanation, which together form the whole system. Further results include the distinction of evaluation metrics into affection towards the system, cognition, usability, interpretability, and explanation metrics. Furthermore, the users, along with their specific characteristics and behavior, can be assessed. For AI novices, the relevant extended design goals include responsible use, acceptance, and usability. For data experts, the focus is performance-oriented and includes human-AI collaboration and system and user task performance.
Evolution of meta's llama models and parameter-efficient fine-tuning of large language models: a survey
Abdullah, Abdulhady Abas, Zubiaga, Arkaitz, Mirjalili, Seyedali, Gandomi, Amir H., Daneshfar, Fatemeh, Amini, Mohammadsadra, Mohammed, Alan Salam, Veisi, Hadi
This review surveys the rapid evolution of Meta AI's LLaMA (Large Language Model Meta AI) series - from LLaMA 1 through LLaMA 4 and the specialized parameter-efficient fine-tuning (PEFT) methods developed for these models. We first describe the LLaMA family of foundation models (7B-65B to 288B parameters), their architectures (including native multimodal and Mixtureof-Experts variants), and key performance characteristics. We then describe and discuss the concept of PEFT, which adapts large pre-trained models by updating only a small subset of parameters, and review five PEFT methods that have been applied to LLaMA: LoRA (Low-Rank Adaptation), LLaMA-Adapter V1 and V2, LLaMA-Excitor, and QLoRA (Quantized LoRA). We discuss each method's mechanism, parameter savings, and example application to LLaMA (e.g., instruction tuning, multimodal tasks). We provide structured discussion and analysis of model and adapter architectures, parameter counts, and benchmark results (including examples where fine-tuned LLaMA models outperform larger baselines). Finally, we examine real-world use cases where LLaMA-based models and PEFT have been successfully applied (e.g., legal and medical domains), and we discuss ongoing challenges and future research directions (such as scaling to even larger contexts and improving robustness). This survey paper provides a one-stop resource for ML researchers and practitioners interested in LLaMA models and efficient fine-tuning strategies.
A Survey on Parallel Reasoning
Wang, Ziqi, Niu, Boye, Gao, Zipeng, Zheng, Zhi, Xu, Tong, Meng, Linghui, Li, Zhongli, Liu, Jing, Chen, Yilong, Zhu, Chen, Wu, Hua, Wang, Haifeng, Chen, Enhong
With the increasing capabilities of Large Language Models (LLMs), parallel reasoning has emerged as a new inference paradigm that enhances reasoning robustness by concurrently exploring multiple lines of thought before converging on a final answer. It has become a significant trend to explore parallel reasoning to overcome the fragility of standard sequential methods and improve practical performance. In this paper, we aim to survey and summarize the progress and challenges of parallel reasoning. We first present a formal definition of parallel reasoning and clarify its distinction from related concepts like Chain-of-Thought. Then, we organize and discuss advanced techniques based on a novel taxonomy, including non-interactive reasoning, interactive reasoning, and efficiency-focused decoding strategies. Additionally, we explore various application scenarios, such as solving complex problems and enhancing the reliability of LLM outputs.Finally, we highlight the core challenges of parallel reasoning and suggest potential directions for future research. We hope that our work can provide a useful roadmap for beginners and encourage more research on improving parallel reasoning methods. Related source can be avaliable in https://github.com/PPPP-kaqiu/Awesome-Parallel-Reasoning.
Budget-constrained Active Learning to Effectively De-censor Survival Data
Parsaee, Ali, Jiang, Bei, Friggstad, Zachary, Greiner, Russell
Standard supervised learners attempt to learn a model from a labeled dataset. Given a small set of labeled instances, and a pool of unlabeled instances, a budgeted learner can use its given budget to pay to acquire the labels of some unlabeled instances, which it can then use to produce a model. Here, we explore budgeted learning in the context of survival datasets, which include (right) censored instances, where we know only a lower bound on an instance's time-to-event. Here, that learner can pay to (partially) label a censored instance -- e.g., to acquire the actual time for an instance [perhaps go from (3 yr, censored) to (7.2 yr, uncensored)], or other variants [e.g., learn about one more year, so go from (3 yr, censored) to either (4 yr, censored) or perhaps (3.2 yr, uncensored)]. This serves as a model of real world data collection, where follow-up with censored patients does not always lead to uncensoring, and how much information is given to the learner model during data collection is a function of the budget and the nature of the data itself. We provide both experimental and theoretical results for how to apply state-of-the-art budgeted learning algorithms to survival data and the respective limitations that exist in doing so. Our approach provides bounds and time complexity asymptotically equivalent to the standard active learning method BatchBALD. Moreover, empirical analysis on several survival tasks show that our model performs better than other potential approaches on several benchmarks.