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Predictive modeling on tabular data is the cornerstone of many real-world applications. Although gradient boosting machines and some recent deep models achieve strong performance on tabular data, they often lack interpretability. On the…

Machine Learning · Computer Science 2025-07-01 Tommy Xu , Zhitian Zhang , Xiangyu Sun , Lauren Kelly Zung , Hossein Hajimirsadeghi , Greg Mori

Large language models (LLMs) exhibit remarkable problem-solving abilities, but struggle with complex tasks due to static internal knowledge. Retrieval-Augmented Generation (RAG) enhances access to external information, yet remains limited…

The ubiquity and value of tables as semi-structured data across various domains necessitate advanced methods for understanding their complexity and vast amounts of information. Despite the impressive capabilities of large language models…

Computation and Language · Computer Science 2024-11-14 Deyi Ji , Lanyun Zhu , Siqi Gao , Peng Xu , Hongtao Lu , Jieping Ye , Feng Zhao

Language Models are extremely susceptible to performance collapse with even small changes to input prompt strings. Libraries such as DSpy (from Stanford NLP) avoid this problem through demonstration-based prompt optimisation. Inspired by…

Computation and Language · Computer Science 2025-11-25 Maanas Taneja

Large language models (LLMs) excel in complex tasks through advanced prompting techniques like Chain-of-Thought (CoT) and Tree-of-Thought (ToT), but their reliance on manually crafted, task-specific prompts limits adaptability and…

Computation and Language · Computer Science 2025-07-04 Tao Xiong , Xavier Hu , Wenyan Fan , Shengyu Zhang

Modern key-value stores rely heavily on Log-Structured Merge (LSM) trees for write optimization, but this design introduces significant read amplification. Auxiliary structures like Bloom filters help, but impose memory costs that scale…

Data Structures and Algorithms · Computer Science 2025-08-05 Nicholas Fidalgo , Puyuan Ye

DeepSearch paradigms have become a core enabler for deep reasoning models, allowing them to invoke external search tools to access up-to-date, domain-specific knowledge beyond parametric boundaries, thereby enhancing the depth and factual…

Artificial Intelligence · Computer Science 2025-12-11 Hengzhi Lan , Yue Yu , Li Qian , Li Peng , Jie Wu , Wei Liu , Jian Luan , Ting Bai

Large Language Models (LLMs) excel at many tasks but often falter on complex problems that require structured, multi-step reasoning. We introduce the Diagram of Thought (DoT), a framework that enables a single LLM to build and navigate a…

Computation and Language · Computer Science 2026-05-15 Yifan Zhang , Yang Yuan , Andrew Chi-Chih Yao

Process Reward Models (PRMs) have emerged as a powerful tool for providing step-level feedback when evaluating the reasoning of Large Language Models (LLMs), which frequently produce chains of thought (CoTs) containing errors even when the…

Computation and Language · Computer Science 2026-04-21 Raffaele Pisano , Roberto Navigli

Large Language Models (LLMs) have shown promising results on various language and vision tasks. Recently, there has been growing interest in applying LLMs to graph-based tasks, particularly on Text-Attributed Graphs (TAGs). However, most…

Machine Learning · Computer Science 2024-06-10 Zhongmou He , Jing Zhu , Shengyi Qian , Joyce Chai , Danai Koutra

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

Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While large language models (LLM) have demonstrated novel…

Artificial Intelligence · Computer Science 2023-11-07 Henry W. Sprueill , Carl Edwards , Mariefel V. Olarte , Udishnu Sanyal , Heng Ji , Sutanay Choudhury

Large Language Models (LLMs) have exhibited impressive generation capabilities, but they suffer from hallucinations when solely relying on their internal knowledge, especially when answering questions that require less commonly known…

Computation and Language · Computer Science 2023-11-01 Wenting Zhao , Ye Liu , Tong Niu , Yao Wan , Philip S. Yu , Shafiq Joty , Yingbo Zhou , Semih Yavuz

Despite remarkable advances in the field, LLMs remain unreliable in distinguishing causation from correlation. Recent results from the Corr2Cause dataset benchmark reveal that state-of-the-art LLMs -- such as GPT-4 (F1 score: 29.08) -- only…

Artificial Intelligence · Computer Science 2025-05-28 Wentao Sun , João Paulo Nogueira , Alonso Silva

Although RLVR has become an essential component for developing advanced reasoning skills in language models, contemporary studies have documented training plateaus after thousands of optimization steps, i.e., notable decreases in…

Artificial Intelligence · Computer Science 2026-04-08 Fang Wu , Weihao Xuan , Heli Qi , Ximing Lu , Aaron Tu , Li Erran Li , Yejin Choi

We introduce Meta-Reasoning Prompting (MRP), a novel and efficient system prompting method for large language models (LLMs) inspired by human meta-reasoning. Traditional in-context learning-based reasoning techniques, such as…

Computation and Language · Computer Science 2024-06-18 Peizhong Gao , Ao Xie , Shaoguang Mao , Wenshan Wu , Yan Xia , Haipeng Mi , Furu Wei

The advent of highly accurate protein structure prediction methods has fueled an exponential expansion of the protein structure database. Consequently, there is a rising demand for rapid and precise structural homolog search. Traditional…

Biomolecules · Quantitative Biology 2023-12-01 Yuan Liu , Hong-Bin Shen

In medical scenarios, effectively retrieving external knowledge and leveraging it for rigorous logical reasoning is of significant importance. Despite their potential, existing work has predominantly focused on enhancing either retrieval or…

Computation and Language · Computer Science 2026-01-21 Keer Lu , Zheng Liang , Youquan Li , Jiejun Tan , Xili Wang , Da Pan , Shusen Zhang , Guosheng Dong , Bin Cui , Yunhuai Liu , Wentao Zhang

Tree search has become as a representative framework for test-time reasoning with large language models (LLMs), exemplified by methods such as Tree-of-Thought and Monte Carlo Tree Search. However, it remains difficult to provide instant and…

Artificial Intelligence · Computer Science 2026-03-02 Jiaxi Li , Yucheng Shi , Xiao Huang , Jin Lu , Ninghao Liu

Reinforcement learning has been applied in operation research and has shown promise in solving large combinatorial optimization problems. However, existing works focus on developing neural network architectures for certain problems. These…

Optimization and Control · Mathematics 2023-03-24 Ching Pui Wan , Tung Li , Jason Min Wang