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Large Language Models (LLMs) achieve remarkable performance through pretraining on extensive data. This enables efficient adaptation to diverse downstream tasks. However, the lack of interpretability in their underlying mechanisms limits…

Computation and Language · Computer Science 2025-06-03 Xintong Wang , Jingheng Pan , Liang Ding , Longyue Wang , Longqin Jiang , Xingshan Li , Chris Biemann

Predicting protein stability changes induced by single-point mutations has been a persistent challenge over the years, attracting immense interest from numerous researchers. The ability to precisely predict protein thermostability is…

Biomolecules · Quantitative Biology 2023-12-08 Yijie Zhang , Zhangyang Gao , Cheng Tan , Stan Z. Li

Contemporary large language models (LLMs), such as GPT-4 and Llama, have harnessed extensive computational power and diverse text corpora to achieve remarkable proficiency in interpreting and generating domain-specific content, including…

Machine Learning · Computer Science 2025-10-07 Tianren Zhang , Dai-Bei Yang

Multilingual Machine Translation promises to improve translation quality between non-English languages. This is advantageous for several reasons, namely lower latency (no need to translate twice), and reduced error cascades (e.g., avoiding…

Computation and Language · Computer Science 2023-05-05 Telmo Pessoa Pires , Robin M. Schmidt , Yi-Hsiu Liao , Stephan Peitz

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…

Computation and Language · Computer Science 2025-05-30 Wei Wu , Chao Wang , Liyi Chen , Mingze Yin , Yiheng Zhu , Kun Fu , Jieping Ye , Hui Xiong , Zheng Wang

Latent representation alignment has become a foundational technique for constructing multimodal large language models (MLLM) by mapping embeddings from different modalities into a shared space, often aligned with the embedding space of…

Machine Learning · Computer Science 2025-03-06 Dong Shu , Bingbing Duan , Kai Guo , Kaixiong Zhou , Jiliang Tang , Mengnan Du

Neural language models have become powerful tools for learning complex representations of entities in natural language processing tasks. However, their interpretability remains a significant challenge, particularly in domains like…

Machine Learning · Computer Science 2023-12-19 Divya Nori , Shivali Singireddy , Marina Ten Have

Despite the significant improvements achieved by large language models (LLMs) in English reasoning tasks, these models continue to struggle with multilingual reasoning. Recent studies leverage a full-parameter and two-stage training…

Computation and Language · Computer Science 2025-01-08 Yuchun Fan , Yongyu Mu , Yilin Wang , Lei Huang , Junhao Ruan , Bei Li , Tong Xiao , Shujian Huang , Xiaocheng Feng , Jingbo Zhu

Recent work has shown that layer pruning can effectively compress large language models (LLMs) while retaining strong performance on classification benchmarks, often with little or no finetuning. In contrast, generative reasoning tasks,…

Machine Learning · Computer Science 2026-04-13 Safal Shrestha , Anubhav Shrestha , Aadim Nepal , Minwu Kim , Keith Ross

Protein Language Models (PLMs) such as ESM2 have been shown to be capable of zero-shot prediction of critical scalar properties of proteins (fitness). In this work, we show that injecting a dropout layer at inference time between a PLM's…

Machine Learning · Computer Science 2025-06-19 Aditya Ravuri , Neil D. Lawrence

This thesis provides methods and analysis of models which make progress on this goal. The techniques outlined are task agnostic, and should provide benefit when used with nearly any transformer LM. We introduce two new finetuning methods…

Computation and Language · Computer Science 2024-08-30 Davis Yoshida

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

As Large Language Models (LLMs) continue to scale, post-training pruning has emerged as a promising approach to reduce computational costs while preserving performance. Existing methods such as SparseGPT and Wanda achieve high sparsity…

Computation and Language · Computer Science 2026-01-15 Sai Varun Kodathala , Rakesh Vunnam

Understanding what defines a good representation in large language models (LLMs) is fundamental to both theoretical understanding and practical applications. In this paper, we investigate the quality of intermediate representations in…

Machine Learning · Computer Science 2024-12-13 Oscar Skean , Md Rifat Arefin , Yann LeCun , Ravid Shwartz-Ziv

As retrieval-augmented generation prevails in large language models, embedding models are becoming increasingly crucial. Despite the growing number of general embedding models, prior work often overlooks the critical role of training data…

Computation and Language · Computer Science 2025-01-16 Xinshuo Hu , Zifei Shan , Xinping Zhao , Zetian Sun , Zhenyu Liu , Dongfang Li , Shaolin Ye , Xinyuan Wei , Qian Chen , Baotian Hu , Haofen Wang , Jun Yu , Min Zhang

Recently developed deep learning techniques have significantly improved the accuracy of various speech and image recognition systems. In this paper we adapt some of these techniques for protein secondary structure prediction. We first train…

Machine Learning · Computer Science 2016-11-07 Akosua Busia , Jasmine Collins , Navdeep Jaitly

We present a systematic study of medical-domain interpretability in Large Language Models (LLMs). We study how the LLMs both represent and process medical knowledge through four different interpretability techniques: (1) UMAP projections of…

Machine Learning · Computer Science 2026-02-24 Razvan Marinescu , Victoria-Elisabeth Gruber , Diego Fajardo

Introduction: The extracellular matrix (ECM) is a networkof proteins and carbohydrates that has a structural and bio-chemical function. The ECM plays an important role in dif-ferentiation, migration and signaling. Several studies…

Quantitative Methods · Quantitative Biology 2022-02-17 Mohamed Ghafoor , Anh Nguyen

Large Language Models (LLMs) have demonstrated inherent calibration capabilities, where predicted probabilities align well with correctness, despite prior findings that deep neural networks are often overconfident. Recent studies have…

Machine Learning · Computer Science 2025-11-04 Abhinav Joshi , Areeb Ahmad , Ashutosh Modi

Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on…

Biomolecules · Quantitative Biology 2025-04-03 Yingheng Wang , Zichen Wang , Gil Sadeh , Luca Zancato , Alessandro Achille , George Karypis , Huzefa Rangwala
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