Lehigh University
Abstract:Benchmarks establish a standardized evaluation framework to systematically assess the performance of large language models (LLMs), facilitating objective comparisons and driving advancements in the field. However, existing benchmarks fail to differentiate question difficulty, limiting their ability to effectively distinguish models' capabilities. To address this limitation, we propose RankLLM, a novel framework designed to quantify both question difficulty and model competency. RankLLM introduces difficulty as the primary criterion for differentiation, enabling a more fine-grained evaluation of LLM capabilities. RankLLM's core mechanism facilitates bidirectional score propagation between models and questions. The core intuition of RankLLM is that a model earns a competency score when it correctly answers a question, while a question's difficulty score increases when it challenges a model. Using this framework, we evaluate 30 models on 35,550 questions across multiple domains. RankLLM achieves 90% agreement with human judgments and consistently outperforms strong baselines such as IRT. It also exhibits strong stability, fast convergence, and high computational efficiency, making it a practical solution for large-scale, difficulty-aware LLM evaluation.
Abstract:The deployment of Large Language Models (LLMs) in high-stakes clinical settings demands rigorous and reliable evaluation. However, existing medical benchmarks remain static, suffering from two critical limitations: (1) data contamination, where test sets inadvertently leak into training corpora, leading to inflated performance estimates; and (2) temporal misalignment, failing to capture the rapid evolution of medical knowledge. Furthermore, current evaluation metrics for open-ended clinical reasoning often rely on either shallow lexical overlap (e.g., ROUGE) or subjective LLM-as-a-Judge scoring, both inadequate for verifying clinical correctness. To bridge these gaps, we introduce LiveMedBench, a continuously updated, contamination-free, and rubric-based benchmark that weekly harvests real-world clinical cases from online medical communities, ensuring strict temporal separation from model training data. We propose a Multi-Agent Clinical Curation Framework that filters raw data noise and validates clinical integrity against evidence-based medical principles. For evaluation, we develop an Automated Rubric-based Evaluation Framework that decomposes physician responses into granular, case-specific criteria, achieving substantially stronger alignment with expert physicians than LLM-as-a-Judge. To date, LiveMedBench comprises 2,756 real-world cases spanning 38 medical specialties and multiple languages, paired with 16,702 unique evaluation criteria. Extensive evaluation of 38 LLMs reveals that even the best-performing model achieves only 39.2%, and 84% of models exhibit performance degradation on post-cutoff cases, confirming pervasive data contamination risks. Error analysis further identifies contextual application-not factual knowledge-as the dominant bottleneck, with 35-48% of failures stemming from the inability to tailor medical knowledge to patient-specific constraints.
Abstract:The rapid growth of large language models (LLMs) has outpaced the evolution of single-GPU hardware, making model scale increasingly constrained by memory capacity rather than computation. While modern training systems extend GPU memory through distributed parallelism and offloading across CPU and storage tiers, they fundamentally retain a GPU-centric execution paradigm in which GPUs host persistent model replicas and full autograd graphs. As a result, scaling large models remains tightly coupled to multi-GPU clusters, complex distributed runtimes, and unpredictable host memory consumption, creating substantial barriers for node-scale post-training workloads such as instruction tuning, alignment, and domain adaptation. We present Horizon-LM, a memory-centric training system that redefines the roles of CPU and GPU for large-model optimization. Horizon-LM treats host memory as the authoritative parameter store and uses GPUs solely as transient compute engines through a CPU-master, GPU-template execution model. By eliminating persistent GPU-resident modules and autograd graphs, employing explicit recomputation with manual gradient propagation, and introducing a pipelined double-buffered execution engine, Horizon-LM decouples model scale from GPU count and bounds memory usage to the theoretical parameter footprint. On a single H200 GPU with 1.5\,TB host RAM, Horizon-LM reliably trains models up to 120B parameters. On a standard single A100 machine, Horizon-LM achieves up to 12.2$\times$ higher training throughput than DeepSpeed ZeRO-3 with CPU offloading while preserving numerical correctness. Across platforms and scales, Horizon-LM sustains high device utilization and predictable memory growth, demonstrating that host memory, not GPU memory, defines the true feasibility boundary for node-scale large-model training.
Abstract:Currently, the field of structure-based drug design is dominated by three main types of algorithms: search-based algorithms, deep generative models, and reinforcement learning. While existing works have typically focused on comparing models within a single algorithmic category, cross-algorithm comparisons remain scarce. In this paper, to fill the gap, we establish a benchmark to evaluate the performance of fifteen models across these different algorithmic foundations by assessing the pharmaceutical properties of the generated molecules and their docking affinities and poses with specified target proteins. We highlight the unique advantages of each algorithmic approach and offer recommendations for the design of future SBDD models. We emphasize that 1D/2D ligand-centric drug design methods can be used in SBDD by treating the docking function as a black-box oracle, which is typically neglected. Our evaluation reveals distinct patterns across model categories. 3D structure-based models excel in binding affinities but show inconsistencies in chemical validity and pose quality. 1D models demonstrate reliable performance in standard molecular metrics but rarely achieve optimal binding affinities. 2D models offer balanced performance, maintaining high chemical validity while achieving moderate binding scores. Through detailed analysis across multiple protein targets, we identify key improvement areas for each model category, providing insights for researchers to combine strengths of different approaches while addressing their limitations. All the code that are used for benchmarking is available in https://github.com/zkysfls/2025-sbdd-benchmark
Abstract:Digital twins, as precise digital representations of physical systems, have evolved from passive simulation tools into intelligent and autonomous entities through the integration of artificial intelligence technologies. This paper presents a unified four-stage framework that systematically characterizes AI integration across the digital twin lifecycle, spanning modeling, mirroring, intervention, and autonomous management. By synthesizing existing technologies and practices, we distill a unified four-stage framework that systematically characterizes how AI methodologies are embedded across the digital twin lifecycle: (1) modeling the physical twin through physics-based and physics-informed AI approaches, (2) mirroring the physical system into a digital twin with real-time synchronization, (3) intervening in the physical twin through predictive modeling, anomaly detection, and optimization strategies, and (4) achieving autonomous management through large language models, foundation models, and intelligent agents. We analyze the synergy between physics-based modeling and data-driven learning, highlighting the shift from traditional numerical solvers to physics-informed and foundation models for physical systems. Furthermore, we examine how generative AI technologies, including large language models and generative world models, transform digital twins into proactive and self-improving cognitive systems capable of reasoning, communication, and creative scenario generation. Through a cross-domain review spanning eleven application domains, including healthcare, aerospace, smart manufacturing, robotics, and smart cities, we identify common challenges related to scalability, explainability, and trustworthiness, and outline directions for responsible AI-driven digital twin systems.
Abstract:Vision-language-action (VLA) models enable impressive zero shot manipulation, but their inference stacks are often too heavy for responsive web demos or high frequency robot control on commodity GPUs. We present BLURR, a lightweight inference wrapper that can be plugged into existing VLA controllers without retraining or changing model checkpoints. Instantiated on the pi-zero VLA controller, BLURR keeps the original observation interfaces and accelerates control by combining an instruction prefix key value cache, mixed precision execution, and a single step rollout schedule that reduces per step computation. In our SimplerEnv based evaluation, BLURR maintains task success rates comparable to the original controller while significantly lowering effective FLOPs and wall clock latency. We also build an interactive web demo that allows users to switch between controllers and toggle inference options in real time while watching manipulation episodes. This highlights BLURR as a practical approach for deploying modern VLA policies under tight compute budgets.
Abstract:We introduce 3D4D, an interactive 4D visualization framework that integrates WebGL with Supersplat rendering. It transforms static images and text into coherent 4D scenes through four core modules and employs a foveated rendering strategy for efficient, real-time multi-modal interaction. This framework enables adaptive, user-driven exploration of complex 4D environments. The project page and code are available at https://yunhonghe1021.github.io/NOVA/.
Abstract:Artificial intelligence is undergoing a profound transition from a computational instrument to an autonomous originator of scientific knowledge. This emerging paradigm, the AI scientist, is architected to emulate the complete scientific workflow-from initial hypothesis generation to the final synthesis of publishable findings-thereby promising to fundamentally reshape the pace and scale of discovery. However, the rapid and unstructured proliferation of these systems has created a fragmented research landscape, obscuring overarching methodological principles and developmental trends. This survey provides a systematic and comprehensive synthesis of this domain by introducing a unified, six-stage methodological framework that deconstructs the end-to-end scientific process into: Literature Review, Idea Generation, Experimental Preparation, Experimental Execution, Scientific Writing, and Paper Generation. Through this analytical lens, we chart the field's evolution from early Foundational Modules (2022-2023) to integrated Closed-Loop Systems (2024), and finally to the current frontier of Scalability, Impact, and Human-AI Collaboration (2025-present). By rigorously synthesizing these developments, this survey not only clarifies the current state of autonomous science but also provides a critical roadmap for overcoming remaining challenges in robustness and governance, ultimately guiding the next generation of systems toward becoming trustworthy and indispensable partners in human scientific inquiry.
Abstract:Chest X ray (CXR) imaging remains a critical diagnostic tool for thoracic conditions, but current automated systems face limitations in pathology coverage, diagnostic accuracy, and integration of visual and textual reasoning. To address these gaps, we propose RadFabric, a multi agent, multimodal reasoning framework that unifies visual and textual analysis for comprehensive CXR interpretation. RadFabric is built on the Model Context Protocol (MCP), enabling modularity, interoperability, and scalability for seamless integration of new diagnostic agents. The system employs specialized CXR agents for pathology detection, an Anatomical Interpretation Agent to map visual findings to precise anatomical structures, and a Reasoning Agent powered by large multimodal reasoning models to synthesize visual, anatomical, and clinical data into transparent and evidence based diagnoses. RadFabric achieves significant performance improvements, with near-perfect detection of challenging pathologies like fractures (1.000 accuracy) and superior overall diagnostic accuracy (0.799) compared to traditional systems (0.229 to 0.527). By integrating cross modal feature alignment and preference-driven reasoning, RadFabric advances AI-driven radiology toward transparent, anatomically precise, and clinically actionable CXR analysis.
Abstract:Despite the rapid progress of multimodal large language models (MLLMs), they have largely overlooked the importance of visual processing. In a simple yet revealing experiment, we interestingly find that language-only models, when provided with image captions, can achieve comparable or even better performance than MLLMs that consume raw visual inputs. This suggests that current MLLMs may generate accurate visual descriptions but fail to effectively integrate them during reasoning. Motivated by this, we propose a simple visual perturbation framework that enhances perceptual robustness without requiring algorithmic modifications or additional training data. Our approach introduces three targeted perturbations: distractor concatenation, dominance-preserving mixup, and random rotation, that can be easily integrated into existing post-training pipelines including SFT, DPO, and GRPO. Through extensive experiments across multiple datasets, we demonstrate consistent improvements in mathematical reasoning performance, with gains comparable to those achieved through algorithmic changes. Additionally, we achieve competitive performance among open-source 7B RL-tuned models by training Qwen2.5-VL-7B with visual perturbation. Through comprehensive ablation studies, we analyze the effectiveness of different perturbation strategies, revealing that each perturbation type contributes uniquely to different aspects of visual reasoning. Our findings highlight the critical role of visual perturbation in multimodal mathematical reasoning: better reasoning begins with better seeing. Our code is available at https://github.com/YutingLi0606/Vision-Matters.