Large Language Model
Mapping AI Benchmark Data to Quantitative Risk Estimates Through Expert Elicitation
Murray, Malcolm, Papadatos, Henry, Quarks, Otter, Gimenez, Pierre-François, Campos, Simeon
The literature and multiple experts point to many potential risks from large language models (LLMs), but there are still very few direct measurements of the actual harms posed. AI risk assessment has so far focused on measuring the models' capabilities, but the capabilities of models are only indicators of risk, not measures of risk. Better modeling and quantification of AI risk scenarios can help bridge this disconnect and link the capabilities of LLMs to tangible real-world harm. This paper makes an early contribution to this field by demonstrating how existing AI benchmarks can be used to facilitate the creation of risk estimates. We describe the results of a pilot study in which experts use information from Cybench, an AI benchmark, to generate probability estimates. We show that the methodology seems promising for this purpose, while noting improvements that can be made to further strengthen its application in quantitative AI risk assessment. Figure 1: The performance of LLM benchmarks directly informs the probability estimates generated through expert elicitation. For example, the expert is informed that an LLM can solve the task'Unbreakable' in Cybench and uses this information to increase the probability of success for a malware creation step by 5%.
OTTER: A Vision-Language-Action Model with Text-Aware Visual Feature Extraction
Huang, Huang, Liu, Fangchen, Fu, Letian, Wu, Tingfan, Mukadam, Mustafa, Malik, Jitendra, Goldberg, Ken, Abbeel, Pieter
Vision-Language-Action (VLA) models aim to predict robotic actions based on visual observations and language instructions. Existing approaches require fine-tuning pre-trained visionlanguage models (VLMs) as visual and language features are independently fed into downstream policies, degrading the pre-trained semantic alignments. We propose OTTER, a novel VLA architecture that leverages these existing alignments through explicit, text-aware visual feature extraction. Instead of processing all visual features, OTTER selectively extracts and passes only task-relevant visual features that are semantically aligned with the language instruction to the policy transformer. This allows OTTER to keep the pre-trained vision-language encoders frozen. Thereby, OTTER preserves and utilizes the rich semantic understanding learned from large-scale pre-training, enabling strong zero-shot generalization capabilities. In simulation and real-world experiments, OTTER significantly outperforms existing VLA models, demonstrating strong zeroshot generalization to novel objects and environments. Video, code, checkpoints, and dataset: https://ottervla.github.io/.
English K_Quantization of LLMs Does Not Disproportionately Diminish Multilingual Performance
For consumer usage of locally deployed LLMs, the GGUF format and k\_quantization are invaluable tools for maintaining the performance of the original model while reducing it to sizes deployable with consumer-grade hardware. The number of bits dedicated to each weight from the original model is reduced based on how important they are thought to be during model inference. This importance is arrived at through the application of an 'importance matrix'-a relatively small text document meant to be representative of the LLM's standard use-cases. In the vast majority of quants available online, this document is primarily written in English. It was therefore an open question whether performance on English language tasks was preserved through the sacrifice of multilingual performance and whether it can be preserved with alternate importance matrices. This article investigates these hypotheses by quantizing Llama3.3 70B on importance matrices written in three languages (English, Norwegian, and Malayalam) and evaluating them on the MixEval dataset in both English and Norwegian. All experiments related to yielded non-significant results indicating that current quantization practices do not disproportionately harm multilingual performance.
Bridging Molecular Graphs and Large Language Models
Wang, Runze, Yang, Mingqi, Shen, Yanming
While Large Language Models (LLMs) have shown exceptional generalization capabilities, their ability to process graph data, such as molecular structures, remains limited. To bridge this gap, this paper proposes Graph2Token, an efficient solution that aligns graph tokens to LLM tokens. The key idea is to represent a graph token with the LLM token vocabulary, without fine-tuning the LLM backbone. To achieve this goal, we first construct a molecule-text paired dataset from multisources, including CHEBI and HMDB, to train a graph structure encoder, which reduces the distance between graphs and texts representations in the feature space. Then, we propose a novel alignment strategy that associates a graph token with LLM tokens. To further unleash the potential of LLMs, we collect molecular IUPAC name identifiers, which are incorporated into the LLM prompts. By aligning molecular graphs as special tokens, we can activate LLM generalization ability to molecular few-shot learning. Extensive experiments on molecular classification and regression tasks demonstrate the effectiveness of our proposed Graph2Token.
IterPref: Focal Preference Learning for Code Generation via Iterative Debugging
Wu, Jie, Li, Haoling, Zhang, Xin, Luo, Jianwen, Huang, Yangyu, Chu, Ruihang, Yang, Yujiu, Li, Scarlett
Preference learning enhances Code LLMs beyond supervised fine-tuning by leveraging relative quality comparisons. Existing methods construct preference pairs from candidates based on test case success, treating the higher pass rate sample as positive and the lower as negative. However, this approach does not pinpoint specific errors in the code, which prevents the model from learning more informative error correction patterns, as aligning failing code as a whole lacks the granularity needed to capture meaningful error-resolution relationships. To address these issues, we propose IterPref, a new preference alignment framework that mimics human iterative debugging to refine Code LLMs. IterPref explicitly locates error regions and aligns the corresponding tokens via a tailored DPO algorithm. To generate informative pairs, we introduce the CodeFlow dataset, where samples are iteratively refined until passing tests, with modifications capturing error corrections. Extensive experiments show that a diverse suite of Code LLMs equipped with IterPref achieves significant performance gains in code generation and improves on challenging tasks like BigCodeBench. In-depth analysis reveals that IterPref yields fewer errors. Our code and data will be made publicaly available.
Generator-Assistant Stepwise Rollback Framework for Large Language Model Agent
Li, Xingzuo, Chen, Kehai, Long, Yunfei, Bai, Xuefeng, Xu, Yong, Zhang, Min
Large language model (LLM) agents typically adopt a step-by-step reasoning framework, in which they interleave the processes of thinking and acting to accomplish the given task. However, this paradigm faces a deep-rooted one-pass issue whereby each generated intermediate thought is plugged into the trajectory regardless of its correctness, which can cause irreversible error propagation. To address the issue, this paper proposes a novel framework called Generator-Assistant Stepwise Rollback (GA-Rollback) to induce better decision-making for LLM agents. Particularly, GA-Rollback utilizes a generator to interact with the environment and an assistant to examine each action produced by the generator, where the assistant triggers a rollback operation upon detection of incorrect actions. Moreover, we introduce two additional strategies tailored for the rollback scenario to further improve its effectiveness. Extensive experiments show that GA-Rollback achieves significant improvements over several strong baselines on three widely used benchmarks. Our analysis further reveals that GA-Rollback can function as a robust plug-and-play module, integrating seamlessly with other methods.
Enabling AI Scientists to Recognize Innovation: A Domain-Agnostic Algorithm for Assessing Novelty
Wang, Yao, Cui, Mingxuan, Jiang, Arthur
In the pursuit of Artificial General Intelligence (AGI), automating the generation and evaluation of novel research ideas is a key challenge in AI-driven scientific discovery. This paper presents Relative Neighbor Density (RND), a domain-agnostic algorithm for novelty assessment in research ideas that overcomes the limitations of existing approaches by comparing an idea's local density with its adjacent neighbors' densities. We first developed a scalable methodology to create test set without expert labeling, addressing a fundamental challenge in novelty assessment. Using these test sets, we demonstrate that our RND algorithm achieves state-of-the-art (SOTA) performance in computer science (AUROC=0.820) and biomedical research (AUROC=0.765) domains. Most significantly, while SOTA models like Sonnet-3.7 and existing metrics show domain-specific performance degradation, RND maintains consistent accuracies across domains by its domain-invariant property, outperforming all benchmarks by a substantial margin (0.795 v.s. 0.597) on cross-domain evaluation. These results validate RND as a generalizable solution for automated novelty assessment in scientific research.
Mixture of Structural-and-Textual Retrieval over Text-rich Graph Knowledge Bases
Lei, Yongjia, Han, Haoyu, Rossi, Ryan A., Dernoncourt, Franck, Lipka, Nedim, Halappanavar, Mahantesh M, Tang, Jiliang, Wang, Yu
Text-rich Graph Knowledge Bases (TG-KBs) have become increasingly crucial for answering queries by providing textual and structural knowledge. However, current retrieval methods often retrieve these two types of knowledge in isolation without considering their mutual reinforcement and some hybrid methods even bypass structural retrieval entirely after neighboring aggregation. To fill in this gap, we propose a Mixture of Structural-and-Textual Retrieval (MoR) to retrieve these two types of knowledge via a Planning-Reasoning-Organizing framework. In the Planning stage, MoR generates textual planning graphs delineating the logic for answering queries. Following planning graphs, in the Reasoning stage, MoR interweaves structural traversal and textual matching to obtain candidates from TG-KBs. In the Organizing stage, MoR further reranks fetched candidates based on their structural trajectory. Extensive experiments demonstrate the superiority of MoR in harmonizing structural and textual retrieval with insights, including uneven retrieving performance across different query logics and the benefits of integrating structural trajectories for candidate reranking. Our code is available at https://github.com/Yoega/MoR.
Knowledge Bridger: Towards Training-free Missing Multi-modality Completion
Ke, Guanzhou, He, Shengfeng, Wang, Xiao Li, Wang, Bo, Chao, Guoqing, Zhang, Yuanyang, Xie, Yi, Su, HeXing
Previous successful approaches to missing modality completion rely on carefully designed fusion techniques and extensive pre-training on complete data, which can limit their generalizability in out-of-domain (OOD) scenarios. In this study, we pose a new challenge: can we develop a missing modality completion model that is both resource-efficient and robust to OOD generalization? To address this, we present a training-free framework for missing modality completion that leverages large multimodal models (LMMs). Our approach, termed the "Knowledge Bridger", is modality-agnostic and integrates generation and ranking of missing modalities. By defining domain-specific priors, our method automatically extracts structured information from available modalities to construct knowledge graphs. These extracted graphs connect the missing modality generation and ranking modules through the LMM, resulting in high-quality imputations of missing modalities. Experimental results across both general and medical domains show that our approach consistently outperforms competing methods, including in OOD generalization. Additionally, our knowledge-driven generation and ranking techniques demonstrate superiority over variants that directly employ LMMs for generation and ranking, offering insights that may be valuable for applications in other domains.
RAG-Enhanced Collaborative LLM Agents for Drug Discovery
Lee, Namkyeong, De Brouwer, Edward, Hajiramezanali, Ehsan, Biancalani, Tommaso, Park, Chanyoung, Scalia, Gabriele
Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing critical challenges. First, it hinders the application of more flexible general-purpose LLMs in cutting-edge drug discovery tasks. More importantly, it impedes the rapid integration of the vast amounts of scientific data continuously generated through experiments and research. To investigate these challenges, we propose CLADD, a retrieval-augmented generation (RAG)-empowered agentic system tailored to drug discovery tasks. Through the collaboration of multiple LLM agents, CLADD dynamically retrieves information from biomedical knowledge bases, contextualizes query molecules, and integrates relevant evidence to generate responses -- all without the need for domain-specific fine-tuning. Crucially, we tackle key obstacles in applying RAG workflows to biochemical data, including data heterogeneity, ambiguity, and multi-source integration. We demonstrate the flexibility and effectiveness of this framework across a variety of drug discovery tasks, showing that it outperforms general-purpose and domain-specific LLMs as well as traditional deep learning approaches.