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Proteins inherently possess a consistent sequence-structure duality. The abundance of protein sequence data, which can be readily represented as discrete tokens, has driven fruitful developments in protein language models (pLMs). A key…

计算工程、金融与科学 · 计算机科学 2026-05-29 Yi Zhou , Haohao Qu , Yunqing Liu , Shanru Lin , Le Song , Wenqi Fan

Text classifiers built on Pre-trained Language Models (PLMs) have achieved remarkable progress in various tasks including sentiment analysis, natural language inference, and question-answering. However, the occurrence of uncertain…

计算与语言 · 计算机科学 2023-06-07 Jiazheng Li , Zhaoyue Sun , Bin Liang , Lin Gui , Yulan He

Deep learning in \emph{de novo} protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries without explicitly reasoning about which residues or…

Proteins, as essential biomolecules, play a central role in biological processes, including metabolic reactions and DNA replication. Accurate prediction of their properties and functions is crucial in biological applications. Recent…

计算与语言 · 计算机科学 2025-05-30 Wei Wu , Chao Wang , Liyi Chen , Mingze Yin , Yiheng Zhu , Kun Fu , Jieping Ye , Hui Xiong , Zheng Wang

Wireframe parsing aims to recover line segments and their junctions to form a structured geometric representation useful for downstream tasks such as Simultaneous Localization and Mapping (SLAM). Existing methods predict lines and junctions…

计算机视觉与模式识别 · 计算机科学 2026-01-27 Chao Wang , Xuanying Li , Cheng Dai , Jinglei Feng , Yuxiang Luo , Yuqi Ouyang , Hao Qin

Language model approaches have recently been integrated into binary analysis tasks, such as function similarity detection and function signature recovery. These models typically employ a two-stage training process: pre-training via Masked…

软件工程 · 计算机科学 2024-12-24 Hanxiao Lu , Hongyu Cai , Yiming Liang , Antonio Bianchi , Z. Berkay Celik

Running LLMs with extended reasoning on every problem is expensive, but determining which inputs actually require additional compute remains challenging. We investigate whether their own likelihood of success is recoverable from their…

计算与语言 · 计算机科学 2026-04-07 William Lugoloobi , Thomas Foster , William Bankes , Chris Russell

Scaling laws have allowed Pre-trained Language Models (PLMs) into the field of causal reasoning. Causal reasoning of PLM relies solely on text-based descriptions, in contrast to causal discovery which aims to determine the causal…

XAI gained considerable importance in recent years. Methods based on prototypical case-based reasoning have shown a promising improvement in explainability. However, these methods typically rely on additional post-hoc saliency techniques to…

计算机视觉与模式识别 · 计算机科学 2025-10-02 Steffen Meinert , Philipp Schlinge , Nils Strodthoff , Martin Atzmueller

Despite significant progress in transformer interpretability, an understanding of the computational mechanisms of large language models (LLMs) remains a fundamental challenge. Many approaches interpret a network's hidden representations but…

机器学习 · 计算机科学 2025-10-14 James R. Golden

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

生物大分子 · 定量生物学 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

Process Reward Models (PRMs) provide step-level supervision that improves the reliability of reasoning in large language models. While PRMs have been extensively studied in text-based domains, their extension to Vision Language Models…

人工智能 · 计算机科学 2025-10-08 Brandon Ong , Tej Deep Pala , Vernon Toh , William Chandra Tjhi , Soujanya Poria

Speech language models refer to language models with speech processing and understanding capabilities. One key desirable capability for speech language models is the ability to capture the intricate interdependency between content and…

计算与语言 · 计算机科学 2025-08-11 Kaizhi Qian , Xulin Fan , Junrui Ni , Slava Shechtman , Mark Hasegawa-Johnson , Chuang Gan , Yang Zhang

The rapid advancements in transformer-based language models have revolutionized natural language processing, yet understanding the internal mechanisms of these models remains a significant challenge. This paper explores the application of…

机器学习 · 计算机科学 2025-02-14 Edith Natalia Villegas Garcia , Alessio Ansuini

In spite of the great potential of large language models (LLMs) across various tasks, their deployment on resource-constrained devices remains challenging due to their excessive computational and memory demands. Quantization has emerged as…

机器学习 · 计算机科学 2025-02-28 Hao Mark Chen , Fuwen Tan , Alexandros Kouris , Royson Lee , Hongxiang Fan , Stylianos I. Venieris

Transformer-based LLMs demonstrate strong performance on graph reasoning tasks, yet their internal mechanisms remain underexplored. To uncover these reasoning process mechanisms in a fundamental and unified view, we set the basic…

机器学习 · 计算机科学 2025-09-25 Xinnan Dai , Chung-Hsiang Lo , Kai Guo , Shenglai Zeng , Dongsheng Luo , Jiliang Tang

Vision-Language Models (VLMs) combine a vision encoder and a large language model (LLM) through alignment training, showing strong performance on multimodal tasks. A central component in this architecture is the projection layer, which maps…

计算机视觉与模式识别 · 计算机科学 2025-09-10 Raehyuk Jung , Seungjun Yu , Hyunjung Shim

The conditional generation of proteins with desired functions is a key goal for generative models. Existing methods based on prompting of protein language models (PLMs) can generate proteins conditioned on a target functionality, such as a…

生物大分子 · 定量生物学 2025-06-13 Jason Yang , Aadyot Bhatnagar , Jeffrey A. Ruffolo , Ali Madani

As AI systems grow more capable, it becomes increasingly important that their decisions remain understandable and aligned with human expectations. A key challenge is the limited interpretability of deep models. Post-hoc methods like GradCAM…

计算机视觉与模式识别 · 计算机科学 2025-11-21 Mahdi Alehdaghi , Rajarshi Bhattacharya , Pourya Shamsolmoali , Rafael M. O. Cruz , Maguelonne Heritier , Eric Granger

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

机器学习 · 计算机科学 2019-10-17 Tristan Bepler , Bonnie Berger