Industry
L^2M^3OF: A Large Language Multimodal Model for Metal-Organic Frameworks
Cui, Jiyu, Wu, Fang, Zhao, Haokai, Feng, Minggao, Evangelopoulos, Xenophon, Cooper, Andrew I., Choi, Yejin
Large language models have demonstrated remarkable reasoning capabilities across diverse natural language tasks. However, comparable breakthroughs in scientific discovery are more limited, because understanding complex physical phenomena demands multifaceted representations far beyond language alone. A compelling example is the design of functional materials such as MOFs-critical for a range of impactful applications like carbon capture and hydrogen storage. Navigating their vast and intricate design space in language-based representations interpretable by LLMs is challenging due to the numerous possible three-dimensional atomic arrangements and strict reticular rules of coordination geometry and topology. Despite promising early results in LLM-assisted discovery for simpler materials systems, MOF design remains heavily reliant on tacit human expertise rarely codified in textual information alone. To overcome this barrier, we introduce L2M3OF, the first multimodal LLM for MOFs. L2M3OF integrates crystal representation learning with language understanding to process structural, textual, and knowledge modalities jointly. L2M3OF employs a pre-trained crystal encoder with a lightweight projection layer to compress structural information into a token space, enabling efficient alignment with language instructions. To facilitate training and evaluation, we curate a structure-property-knowledge database of crystalline materials and benchmark L2M3OF against state-of-the-art closed-source LLMs such as GPT-5, Gemini-2.5-Pro and DeepSeek-R1. Experiments show that L2M3OF outperforms leading text-based closed-source LLMs in property prediction and knowledge generation tasks, despite using far fewer parameters. These results highlight the importance of multimodal approaches for porous material understanding and establish L2M3OF as a foundation for next-generation AI systems in materials discovery.
REx86: A Local Large Language Model for Assisting in x86 Assembly Reverse Engineering
Lea, Darrin, Ghawaly, James, Richard, Golden III, Ali-Gombe, Aisha, Case, Andrew
Reverse engineering (RE) of x86 binaries is indispensable for malware and firmware analysis, but remains slow due to stripped metadata and adversarial obfuscation. Large Language Models (LLMs) offer potential for improving RE efficiency through automated comprehension and commenting, but cloud-hosted, closed-weight models pose privacy and security risks and cannot be used in closed-network facilities. We evaluate parameter-efficient fine-tuned local LLMs for assisting with x86 RE tasks in these settings. Eight open-weight models across the CodeLlama, Qwen2.5-Coder, and CodeGemma series are fine-tuned on a custom curated dataset of 5,981 x86 assembly examples. We evaluate them quantitatively and identify the fine-tuned Qwen2.5-Coder-7B as the top performer, which we name REx86. REx86 reduces test-set cross-entropy loss by 64.2% and improves semantic cosine similarity against ground truth by 20.3\% over its base model. In a limited user case study (n=43), REx86 significantly enhanced line-level code understanding (p = 0.031) and increased the correct-solve rate from 31% to 53% (p = 0.189), though the latter did not reach statistical significance. Qualitative analysis shows more accurate, concise comments with fewer hallucinations. REx86 delivers state-of-the-art assistance in x86 RE among local, open-weight LLMs. Our findings demonstrate the value of domain-specific fine-tuning, and highlight the need for more commented disassembly data to further enhance LLM performance in RE. REx86, its dataset, and LoRA adapters are publicly available at https://github.com/dlea8/REx86 and https://zenodo.org/records/15420461.
3DReasonKnee: Advancing Grounded Reasoning in Medical Vision Language Models
Sambara, Sraavya, Kim, Sung Eun, Zhang, Xiaoman, Luo, Luyang, Johri, Shreya, Baharoon, Mohammed, Ro, Du Hyun, Rajpurkar, Pranav
Current Vision-Language Models (VLMs) struggle to ground anatomical regions in 3D medical images and reason about them in a step-by-step manner, a key requirement of real-world diagnostic assessment. This ability is essential for aligning model outputs with the diagnostic workflows clinicians use in practice, enabling trustworthy clinician-AI collaboration. Existing 3D datasets provide localization labels, but none support this "grounded reasoning" ability. To address this gap, we introduce 3DReasonKnee, the first 3D grounded reasoning dataset for medical images, which provides 494k high-quality quintuples derived from 7,970 3D knee MRI volumes. Each quintuple includes: (1) the 3D MRI volume, (2) a diagnostic question targeting a specific anatomical region (3) a 3D bounding box localizing the relevant anatomical structures, (4) clinician-generated diagnostic reasoning steps that explicitly detail the 3D reasoning process, and (5) structured severity assessments for the relevant anatomical region. The creation and validation of 3DReasonKnee, involving over 450 hours of expert clinician time for manually segmenting MRIs and generating reasoning chains, ensures its superior quality and clinical relevance. We establish ReasonKnee-Bench to evaluate localization and diagnostic accuracy, providing insight into VLM ability to perform grounding and severity assessment across anatomical regions and diagnostic inquiries. We benchmark five state-of-the-art VLMs, providing baseline performance for ReasonKnee-Bench. By providing this unique resource of expert-annotated 3D reasoning pathways, 3DReasonKnee serves as a repository of orthopedic surgeons' diagnostic expertise and offers a vital testbed for advancing multimodal medical AI systems towards 3D, clinically aligned, localized decision-making capabilities. The dataset can be found in: https://huggingface.co/datasets/rajpurkarlab/3DReasonKnee
SutureBot: A Precision Framework & Benchmark For Autonomous End-to-End Suturing
Haworth, Jesse, Chen, Juo-Tung, Nelson, Nigel, Kim, Ji Woong, Moghani, Masoud, Finn, Chelsea, Krieger, Axel
Robotic suturing is a prototypical long-horizon dexterous manipulation task, requiring coordinated needle grasping, precise tissue penetration, and secure knot tying. Despite numerous efforts toward end-to-end autonomy, a fully autonomous suturing pipeline has yet to be demonstrated on physical hardware. We introduce SutureBot: an autonomous suturing benchmark on the da Vinci Research Kit (dVRK), spanning needle pickup, tissue insertion, and knot tying. To ensure repeatability, we release a high-fidelity dataset comprising 1,890 suturing demonstrations. Furthermore, we propose a goal-conditioned framework that explicitly optimizes insertion-point precision, improving targeting accuracy by 59\%-74\% over a task-only baseline. To establish this task as a benchmark for dexterous imitation learning, we evaluate state-of-the-art vision-language-action (VLA) models, including $ฯ_0$, GR00T N1, OpenVLA-OFT, and multitask ACT, each augmented with a high-level task-prediction policy. Autonomous suturing is a key milestone toward achieving robotic autonomy in surgery. These contributions support reproducible evaluation and development of precision-focused, long-horizon dexterous manipulation policies necessary for end-to-end suturing. Dataset is available at: https://huggingface.co/datasets/jchen396/suturebot
An Ensembled Penalized Federated Learning Framework for Falling People Detection
Rao, Sizhe, Zhang, Runqiu, Saha, Sajal, Chen, Liang
Abstract--Falls among elderly and disabled individuals remain a leading cause of injury and mortality worldwide, necessitating robust, accurate, and privacy-aware fall detection systems. Traditional fall detection approaches, whether centralized or point-wise, often struggle with key challenges such as limited gener-alizability, data privacy concerns, and variability in individual movement behaviors. T o address these limitations, we propose EPFL--an Ensembled Penalized Federated Learning framework that integrates continual learning, personalized modeling, and a novel Specialized Weighted Aggregation (SW A) strategy. EPFL leverages wearable sensor data to capture sequential motion patterns while preserving user privacy through homomorphic encryption and federated training. Unlike existing federated models, EPFL incorporates both penalized local training and ensemble-based inference to improve inter-client consistency and adaptability to behavioral differences. Extensive experiments on a benchmark fall detection dataset demonstrate the effectiveness of our approach, achieving a Recall of 88.31% and an F1-score of 89.94%, significantly outperforming both centralized and baseline models. This work presents a scalable, secure, and accurate solution for real-world fall detection in healthcare settings, with strong potential for continuous improvement via its adaptive feedback mechanism. Due to changes in traditional family structures, the number of older individuals living alone has significantly increased over the past few decades [1]. According to the report from World Health Organization (WHO) [2], falls are the second leading cause of unintentional injury deaths worldwide, with particularly high morbidity among individuals aged 60 and older. Resulting in severe injuries, including fractures, head trauma, and even death, falls can significantly decline the quality of life of older adults [3]. Considering this, the need for effective monitoring and fall detection systems has been raised by this change aiming to ensure the safety of seniors. Falls can have long-term impacts on individuals, including significant disability-adjusted life years (DAL Ys) and high financial costs. According to the report [2], falls cause over 38 million DAL Ys lost annually worldwide. In Canada, a 20% reduction in falls could save approximately US$120 million each year. Considering the severe injuries, potential fatalities and other additional costs resulting from sudden falls [4], fall detection is a critical research area, especially for the elderly and individuals with disabilities.
Irish-BLiMP: A Linguistic Benchmark for Evaluating Human and Language Model Performance in a Low-Resource Setting
McGiff, Josh, Tran, Khanh-Tung, Mulcahy, William, Luinรญn, Dรกibhidh ร, Dalzell, Jake, Bhroin, Rรณisรญn Nรญ, Burke, Adam, O'Sullivan, Barry, Nguyen, Hoang D., Nikolov, Nikola S.
We present Irish-BLiMP (Irish Benchmark of Linguistic Minimal Pairs), the first dataset and framework designed for fine-grained evaluation of linguistic competence in the Irish language, an endangered language. Drawing on a variety of linguistic literature and grammar reference works, we manually constructed and reviewed 1020 minimal pairs across a taxonomy of 11 linguistic features, through a team of fluent Irish speakers. We evaluate both existing Large Language Models (LLMs) and fluent human participants on their syntactic knowledge of Irish. Our findings show that humans outperform all models across all linguistic features, achieving 16.6% higher accuracy on average. Moreover, a substantial performance gap of 18.1% persists between open- and closed-source LLMs, with even the strongest model (gpt-5) reaching only 73.5% accuracy compared to 90.1% by human. Interestingly, human participants and models struggle on different aspects of Irish grammar, thus highlighting a difference in representation learned by the models. Overall, Irish-BLiMP provides the first systematic framework for evaluating the grammatical competence of LLMs in Irish and offers a valuable benchmark for advancing research on linguistic understanding in low-resource languages.
Self-Jailbreaking: Language Models Can Reason Themselves Out of Safety Alignment After Benign Reasoning Training
Yong, Zheng-Xin, Bach, Stephen H.
We discover a novel and surprising phenomenon of unintentional misalignment in reasoning language models (RLMs), which we call self-jailbreaking. Specifically, after benign reasoning training on math or code domains, RLMs will use multiple strategies to circumvent their own safety guardrails. One strategy is to introduce benign assumptions about users and scenarios to justify fulfilling harmful requests. For instance, an RLM reasons that harmful requests like ``outline a strategy for stealing customers' credit card information from a retail store'' could be associated with the benign intent of ``a security professional trying to test defense,'' despite no such benign context being provided as input. We observe that many open-weight RLMs, including DeepSeek-R1-distilled, s1.1, Phi-4-mini-reasoning, and Nemotron, suffer from self-jailbreaking despite being aware of the harmfulness of the requests. We also provide a mechanistic understanding of self-jailbreaking: RLMs are more compliant after benign reasoning training, and after self-jailbreaking, models appear to perceive malicious requests as less harmful in the CoT, thus enabling compliance with them. To mitigate self-jailbreaking, we find that including minimal safety reasoning data during training is sufficient to ensure RLMs remain safety-aligned. Our work provides the first systematic analysis of self-jailbreaking behavior and offers a practical path forward for maintaining safety in increasingly capable RLMs.
LLM-Integrated Bayesian State Space Models for Multimodal Time-Series Forecasting
Cho, Sungjun, Shin, Changho, Jo, Suenggwan, Yan, Xinya, Chaudhuri, Shourjo Aditya, Sala, Frederic
Forecasting in the real world requires integrating structured time-series data with unstructured textual information, but existing methods are architecturally limited by fixed input/output horizons and are unable to model or quantify uncertainty. We address this challenge by introducing LLM-integrated Bayesian State space models (LBS), a novel probabilistic framework for multimodal temporal forecasting. At a high level, LBS consists of two components: (1) a state space model (SSM) backbone that captures the temporal dynamics of latent states from which both numerical and textual observations are generated and (2) a pretrained large language model (LLM) that is adapted to encode textual inputs for posterior state estimation and decode textual forecasts consistent with the latent trajectory. This design enables flexible lookback and forecast windows, principled uncertainty quantification, and improved temporal generalization thanks to the well-suited inductive bias of SSMs toward modeling dynamical systems. Experiments on the TextTimeCorpus benchmark demonstrate that LBS improves the previous state-of-the-art by 13.20% while providing human-readable summaries of each forecast. Our work is the first to unify LLMs and SSMs for joint numerical and textual prediction, offering a novel foundation for multimodal temporal reasoning.
Meta-Learning for Cross-Task Generalization in Protein Mutation Property Prediction
Badrinarayanan, Srivathsan, Su, Yue, Ock, Janghoon, Pham, Alan, Ahuja, Sanya, Farimani, Amir Barati
Protein mutations can have profound effects on biological function, making accurate prediction of property changes critical for drug discovery, protein engineering, and precision medicine. Current approaches rely on fine-tuning protein-specific transformers for individual datasets, but struggle with cross-dataset generalization due to heterogeneous experimental conditions and limited target domain data. We introduce two key innovations: (1) the first application of Model-Agnostic Meta-Learning (MAML) to protein mutation property prediction, and (2) a novel mutation encoding strategy using separator tokens to directly incorporate mutations into sequence context. We build upon transformer architectures integrating them with MAML to enable rapid adaptation to new tasks through minimal gradient steps rather than learning dataset-specific patterns. Our mutation encoding addresses the critical limitation where standard transformers treat mutation positions as unknown tokens, significantly degrading performance. Evaluation across three diverse protein mutation datasets (functional fitness, thermal stability, and solubility) demonstrates significant advantages over traditional fine-tuning. In cross-task evaluation, our meta-learning approach achieves 29% better accuracy for functional fitness with 65% less training time, and 94% better accuracy for solubility with 55% faster training. The framework maintains consistent training efficiency regardless of dataset size, making it particularly valuable for industrial applications and early-stage protein design where experimental data is limited. This work establishes a systematic application of meta-learning to protein mutation analysis and introduces an effective mutation encoding strategy, offering transformative methodology for cross-domain generalization in protein engineering.
Focal Modulation and Bidirectional Feature Fusion Network for Medical Image Segmentation
Safdar, Moin, Iqbal, Shahzaib, Mehmood, Mehwish, Ghafoor, Mubeen, Khan, Tariq M., Razzak, Imran
Medical image segmentation is essential for clinical applications such as disease diagnosis, treatment planning, and disease development monitoring because it provides precise morphological and spatial information on anatomical structures that directly influence treatment decisions. Convolutional neural networks significantly impact image segmentation; however, since convolution operations are local, capturing global contextual information and long-range dependencies is still challenging. Their capacity to precisely segment structures with complicated borders and a variety of sizes is impacted by this restriction. Since transformers use self-attention methods to capture global context and long-range dependencies efficiently, integrating transformer-based architecture with CNNs is a feasible approach to overcoming these challenges. To address these challenges, we propose the Focal Modulation and Bidirectional Feature Fusion Network for Medical Image Segmentation, referred to as FM-BFF-Net in the remainder of this paper. The network combines convolutional and transformer components, employs a focal modulation attention mechanism to refine context awareness, and introduces a bidirectional feature fusion module that enables efficient interaction between encoder and decoder representations across scales. Through this design, FM-BFF-Net enhances boundary precision and robustness to variations in lesion size, shape, and contrast. Extensive experiments on eight publicly available datasets, including polyp detection, skin lesion segmentation, and ultrasound imaging, show that FM-BFF-Net consistently surpasses recent state-of-the-art methods in Jaccard index and Dice coefficient, confirming its effectiveness and adaptability for diverse medical imaging scenarios.