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Many biochemical applications such as molecular property prediction require models to generalize beyond their training domains (environments). Moreover, natural environments in these tasks are structured, defined by complex descriptors such…

Machine Learning · Computer Science 2020-10-08 Wengong Jin , Regina Barzilay , Tommi Jaakkola

Effectively integrating molecular graph structures with Large Language Models (LLMs) is a key challenge in drug discovery. Most existing multi-modal alignment methods typically process these structures by fine-tuning the LLM or adding a…

Machine Learning · Computer Science 2025-10-15 Tao Yin , Xiaohong Zhang , Jiacheng Zhang , Li Huang , Zhibin Zhang , Yuansong Zeng , Jin Xie , Meng Yan

Antibiotic Resistance (AR) is a critical global health challenge that necessitates the development of cost-effective, efficient, and accurate diagnostic tools. Given the genetic basis of AR, techniques such as Polymerase Chain Reaction…

Quantitative Methods · Quantitative Biology 2025-02-24 David Hagerman , Anna Johnning , Roman Naeem , Fredrik Kahl , Erik Kristiansson , Lennart Svensson

The rapid evolution of Large Language Model (LLM) agents has necessitated robust memory systems to support cohesive long-term interaction and complex reasoning. Benefiting from the strong capabilities of LLMs, recent research focus has…

Artificial Intelligence · Computer Science 2026-04-16 Weiquan Huang , Zixuan Wang , Hehai Lin , Sudong Wang , Bo Xu , Qian Li , Beier Zhu , Linyi Yang , Chengwei Qin

Perceiving and understanding non-speech sounds and non-verbal speech is essential to making decisions that help us interact with our surroundings. In this paper, we propose GAMA, a novel General-purpose Large Audio-Language Model (LALM)…

Despite the promise of Vision-Language-Action (VLA) models as generalist robotic controllers, their robustness against perceptual noise and environmental variations in out-of-distribution (OOD) tasks remains fundamentally limited by the…

Robotics · Computer Science 2026-03-30 Zhuoran Li , Zhiyang Li , Kaijun Zhou , Jinyu Gu

Large language models (LLMs) demonstrate strong performance in math reasoning benchmarks, but their performance varies inconsistently across problems with varying levels of difficulty. This paper describes Adaptive Multi-Expert Reasoning…

Computation and Language · Computer Science 2026-04-14 Mohamed Ehab , Ali Hamdi

Cellular response to a perturbation is the result of a dynamic system of biological variables linked in a complex network. A major challenge in drug and disease studies is identifying the key factors of a biological network that are…

Applications · Statistics 2014-09-02 Lisa M. Pham , Luis Carvalho , Scott Schaus , Eric D. Kolaczyk

Reinforcement learning (RL) with rule-based reward functions has recently shown great promise in enhancing the reasoning depth and generalization ability of vision-language models (VLMs), while maintaining computational efficiency. In spite…

Computer Vision and Pattern Recognition · Computer Science 2026-04-03 Yizhou Liu , Dingkang Yang , Zizhi Chen , Minghao Han , Xukun Zhang , Keliang Liu , Jingwei Wei , Lihua Zhang

Recently, knowledge representation learning (KRL) is emerging as the state-of-the-art approach to process queries over knowledge graphs (KGs), wherein KG entities and the query are embedded into a latent space such that entities that answer…

Artificial Intelligence · Computer Science 2022-09-29 Zhaohan Xi , Ren Pang , Changjiang Li , Tianyu Du , Shouling Ji , Fenglong Ma , Ting Wang

Retrieval-Augmented Generation (RAG), by integrating non-parametric knowledge from external knowledge bases into models, has emerged as a promising approach to enhancing response accuracy while mitigating factual errors and hallucinations.…

Information Retrieval · Computer Science 2025-09-12 Qitao Qin , Yucong Luo , Yihang Lu , Zhibo Chu , Xiaoman Liu , Xianwei Meng

Process Reward Models (PRMs) have shown promise in enhancing the mathematical reasoning capabilities of Large Language Models (LLMs) through Test-Time Scaling (TTS). However, their integration into multimodal reasoning remains largely…

Computation and Language · Computer Science 2025-10-07 Ruilin Luo , Zhuofan Zheng , Yifan Wang , Xinzhe Ni , Zicheng Lin , Songtao Jiang , Yiyao Yu , Chufan Shi , Lei Wang , Ruihang Chu , Jin Zeng , Yujiu Yang

End-to-end architectures trained via imitation learning have advanced autonomous driving by scaling model size and data, yet performance remains brittle in safety-critical long-tail scenarios where supervision is sparse and causal…

We propose a hybrid architecture that integrates decision tree-based symbolic reasoning with the generative capabilities of large language models (LLMs) within a coordinated multi-agent framework. Unlike prior approaches that loosely couple…

Artificial Intelligence · Computer Science 2025-08-08 Andrew Kiruluta

Agricultural disease diagnosis challenges VLMs, as conventional fine-tuning requires extensive labels, lacks interpretability, and generalizes poorly. While reasoning improves model robustness, existing methods rely on costly expert…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Wentao Zhang , Mingkun Xu , Qi Zhang , Shangyang Li , Derek F. Wong , Lifei Wang , Yanchao Yang , Lina Lu , Tao Fang

Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling more robust and reliable predictions of drug toxicity,…

Machine Learning · Computer Science 2025-10-21 Yingxu Wang , Kunyu Zhang , Jiaxin Huang , Nan Yin , Siwei Liu , Eran Segal

Retrieval-Augmented Generation (RAG) integrates non-parametric knowledge into Large Language Models (LLMs), typically from unstructured texts and structured graphs. While recent progress has advanced text-based RAG to multi-turn reasoning…

Computation and Language · Computer Science 2025-12-11 Yucan Guo , Miao Su , Saiping Guan , Zihao Sun , Xiaolong Jin , Jiafeng Guo , Xueqi Cheng

Reasoning is central to purposeful action, yet most robotic foundation models map perception and instructions directly to control, which limits adaptability, generalization, and semantic grounding. We introduce Action Reasoning Models…

Large language models applied to vast biological datasets have the potential to transform biology by uncovering disease mechanisms and accelerating drug development. However, current models are often siloed, trained separately on…

Present day LLMs face the challenge of managing affordance-based safety risks-situations where outputs inadvertently facilitate harmful actions due to overlooked logical implications. Traditional safety solutions, such as scalar…

Computation and Language · Computer Science 2025-08-11 Sayantan Adak , Pratyush Chatterjee , Somnath Banerjee , Rima Hazra , Somak Aditya , Animesh Mukherjee