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 static adapter simultaneously. However, these approaches have two main limitations: (1) it optimizes a shared parameter space across all molecular inputs, limiting the model's ability to capture instance-specific structural features; and (2) fine-tuning the LLM for molecular tasks can lead to catastrophic forgetting, undermining its general reasoning capabilities. In this paper, instead of static task-oriented adaptation, we propose an instance-specific parameter space alignment approach for each molecule on-the-fly. To this end, we introduce Molecule-aware Low-Rank Adaptation (MoRA) that produces a unique set of low-rank adaptation weights for each input molecular graph. These weights are then dynamically injected into a frozen LLM, allowing the model to adapt its reasoning to the structure of each molecular input, while preserving the LLM's core knowledge. Extensive experiments demonstrate that on key molecular tasks, such as chemical reaction prediction and molecular captioning, MoRA's instance-specific dynamic adaptation outperforms statically adapted baselines, including a 14.1% relative improvement in reaction prediction exact match and a 22% reduction in error for quantum property prediction. The code is available at https://github.com/jk-sounds/MoRA.

Graph Neural Networks (GNNs) have become a pivotal framework for modeling graph-structured data, enabling a wide range of applications from social network analysis to molecular chemistry. By integrating large language models (LLMs), text-attributed graphs (TAGs) enhance node representations with rich textual semantics, significantly boosting the expressive power of graph-based learning. However, this sophisticated synergy introduces critical vulnerabilities, as Graph-LLMs are susceptible to adversarial attacks on both their structural topology and textual attributes. Although specialized attack methods have been designed for each of these aspects, no work has yet unified them into a comprehensive approach. In this work, we propose the Interpretable Multi-Dimensional Graph Attack (IMDGA), a novel human-centric adversarial attack framework designed to orchestrate multi-level perturbations across both graph structure and textual features. IMDGA utilizes three tightly integrated modules to craft attacks that balance interpretability and impact, enabling a deeper understanding of Graph-LLM vulnerabilities. Through rigorous theoretical analysis and comprehensive empirical evaluations on diverse datasets and architectures, IMDGA demonstrates superior interpretability, attack effectiveness, stealthiness, and robustness compared to existing methods. By exposing critical weaknesses in TAG representation learning, this work uncovers a previously underexplored semantic dimension of vulnerability in Graph-LLMs, offering valuable insights for improving their resilience. Our code and resources are publicly available at https://anonymous.4open.science/r/IMDGA-7289.

Large language models (LLMs) have recently been extended beyond traditional text generation to serve as interactive agents capable of using external tools based on user intent. However, current LLM agents still show limited ability to handle goal-oriented queries, which require decomposing a high-level objective into multiple interdependent API calls with correct planning and execution. Current approaches mainly rely on zero-shot evaluation due to the absence of training data. While proprietary closed-source models such as GPT-4 demonstrate strong reasoning abilities, smaller open-source models struggle to perform complex tool use effectively. Thus, we propose a novel training framework GOAT, which enables fine-tuning of LLM agents in a human annotation-free setting. GOAT automatically constructs synthetic datasets of goal-oriented API execution tasks directly from given API documents, equipping models with the ability to reason over interdependent calls and generate coherent responses. Through extensive experiments, we show that GOAT-trained agents achieve state-of-the-art performance across multiple existing goal-oriented benchmarks. In addition, we introduce GOATBench, a new goal-oriented API execution benchmark, and demonstrate that agents trained with GOAT also excel in this setting. These results highlight GOAT as a practical path toward building robust open-source LLM agents capable of complex reasoning and tool use.

Simultaneous speech translation requires accurate segmentation to balance translation quality and latency. Recent studies such as SHAS have introduced pretrained segmentation models, achieving stronger performance than heuristic rules. However, segmentation models such as SHAS, though pretrained and more robust than heuristic methods, are still constrained by supervised learning objectives and do not incorporate human preference alignment, which is crucial for natural real-time interpretation. In this work, we propose a segmentation framework based on large language models (LLMs) trained with Direct Preference Optimization (DPO). By leveraging preference alignment, our method enables LLMs to predict natural segmentation points that better meet the demands of real-time translation. We evaluate the system on the ACL 60/60 corpus across three language pairs (English-Japanese, Chinese, German), using SeamlessM4T v2 as the translation backbone. Experimental results show that our DPO-tuned LLM achieves higher segmentation accuracy than SHAS and yields consistent improvements in translation quality (BLEU, COMET) as well as latency (Average Lagging). Furthermore, our system benefits from IWSLT baselines for direct comparison. These findings highlight the potential of preference-tuned LLMs to surpass existing pretrained segmentation models and advance adaptive, human-aligned simultaneous interpretation.

Large Audio Language Models (LALMs) are increasingly applied to audio understanding and multimodal reasoning, yet their ability to locate when events occur remains underexplored. We present the first systematic study of temporal bias in LALMs, revealing a key limitation in their timestamp prediction. For example, when asked "At which second does the lecturer introduce the key formula?", models often predict timestamps that are consistently earlier or later than the ground truth. Through controlled experiments on timestamped datasets, we find that temporal bias (i) is prevalent across datasets and models, (ii) increases with audio length - even accumulating to tens of seconds in extended recordings, and (iii) varies across event types and positions. We quantify this effect with the Temporal Bias Index (TBI), measuring systematic misalignment in predicted event timings, and complement it with a visualization framework. Our findings highlight a fundamental limitation in current LALMs and call for the development of temporally robust architectures.

Recently, efficient Multimodal Large Language Models (MLLMs) have gained significant attention as a solution to their high computational complexity, making them more practical for real-world applications. In this regard, the knowledge distillation (KD) approach has emerged as a promising alternative, which transfers the rich visual and linguistic knowledge from a larger model (teacher) to a smaller model (student). However, we observe that existing KD methods struggle to effectively distill the teacher MLLM's rich visual perception abilities to the student, a challenge that has been largely overlooked in previous studies. Through a systematic analysis, we identify visual attention misalignment between student and teacher as the main cause of this issue. Based on this insight, we propose CompoDistill, a novel KD framework that explicitly aligns the student's visual attention with that of the teacher to enhance the student's visual perception abilities. Our extensive experiments show that CompoDistill significantly improves performance on compositional reasoning tasks that require visual perception abilities while maintaining strong performance on visual question answering tasks, as done in existing studies. Furthermore, CompoDistill demonstrates effectiveness with a more advanced backbone, highlighting its generalizability.

Drug repurposing plays a critical role in accelerating treatment discovery, especially for complex and rare diseases. Biomedical knowledge graphs (KGs), which encode rich clinical associations, have been widely adopted to support this task. However, existing methods largely overlook common-sense biomedical concept knowledge in real-world labs, such as mechanistic priors indicating that certain drugs are fundamentally incompatible with specific treatments. To address this gap, we propose LLaDR, a Large Language Model-assisted framework for Drug Repurposing, which improves the representation of biomedical concepts within KGs. Specifically, we extract semantically enriched treatment-related textual representations of biomedical entities from large language models (LLMs) and use them to fine-tune knowledge graph embedding (KGE) models. By injecting treatment-relevant knowledge into KGE, LLaDR largely improves the representation of biomedical concepts, enhancing semantic understanding of under-studied or complex indications. Experiments based on benchmarks demonstrate that LLaDR achieves state-of-the-art performance across different scenarios, with case studies on Alzheimer's disease further confirming its robustness and effectiveness. Code is available at https://github.com/xiaomingaaa/LLaDR.

This review surveys the rapid evolution of Meta AI's LLaMA (Large Language Model Meta AI) series - from LLaMA 1 through LLaMA 4 and the specialized parameter-efficient fine-tuning (PEFT) methods developed for these models. We first describe the LLaMA family of foundation models (7B-65B to 288B parameters), their architectures (including native multimodal and Mixtureof-Experts variants), and key performance characteristics. We then describe and discuss the concept of PEFT, which adapts large pre-trained models by updating only a small subset of parameters, and review five PEFT methods that have been applied to LLaMA: LoRA (Low-Rank Adaptation), LLaMA-Adapter V1 and V2, LLaMA-Excitor, and QLoRA (Quantized LoRA). We discuss each method's mechanism, parameter savings, and example application to LLaMA (e.g., instruction tuning, multimodal tasks). We provide structured discussion and analysis of model and adapter architectures, parameter counts, and benchmark results (including examples where fine-tuned LLaMA models outperform larger baselines). Finally, we examine real-world use cases where LLaMA-based models and PEFT have been successfully applied (e.g., legal and medical domains), and we discuss ongoing challenges and future research directions (such as scaling to even larger contexts and improving robustness). This survey paper provides a one-stop resource for ML researchers and practitioners interested in LLaMA models and efficient fine-tuning strategies.

With the increasing capabilities of Large Language Models (LLMs), parallel reasoning has emerged as a new inference paradigm that enhances reasoning robustness by concurrently exploring multiple lines of thought before converging on a final answer. It has become a significant trend to explore parallel reasoning to overcome the fragility of standard sequential methods and improve practical performance. In this paper, we aim to survey and summarize the progress and challenges of parallel reasoning. We first present a formal definition of parallel reasoning and clarify its distinction from related concepts like Chain-of-Thought. Then, we organize and discuss advanced techniques based on a novel taxonomy, including non-interactive reasoning, interactive reasoning, and efficiency-focused decoding strategies. Additionally, we explore various application scenarios, such as solving complex problems and enhancing the reliability of LLM outputs.Finally, we highlight the core challenges of parallel reasoning and suggest potential directions for future research. We hope that our work can provide a useful roadmap for beginners and encourage more research on improving parallel reasoning methods. Related source can be avaliable in https://github.com/PPPP-kaqiu/Awesome-Parallel-Reasoning.

Advanced large language models (LLMs) frequently reflect in reasoning chain-of-thoughts (CoTs), where they self-verify the correctness of current solutions and explore alternatives. However, given recent findings that LLMs detect limited errors in CoTs, how reflection contributes to empirical improvements remains unclear. To analyze this issue, in this paper, we present a minimalistic reasoning framework to support basic self-verifying reflection for small transformers without natural language, which ensures analytic clarity and reduces the cost of comprehensive experiments. Theoretically, we prove that self-verifying reflection guarantees improvements if verification errors are properly bounded. Experimentally, we show that tiny transformers, with only a few million parameters, benefit from self-verification in both training and reflective execution, reaching remarkable LLM-level performance in integer multiplication and Sudoku. Similar to LLM results, we find that reinforcement learning (RL) improves in-distribution performance and incentivizes frequent reflection for tiny transformers, yet RL mainly optimizes shallow statistical patterns without faithfully reducing verification errors. In conclusion, integrating generative transformers with discriminative verification inherently facilitates CoT reasoning, regardless of scaling and natural language.