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LLM$^3$-DTI: A Large Language Model and Multi-modal data co-powered framework for Drug-Target Interaction prediction

arXiv.org Artificial Intelligence

Drug-target interaction (DTI) prediction is of great significance for drug discovery and drug repurposing. With the accumulation of a large volume of valuable data, data-driven methods have been increasingly harnessed to predict DTIs, reducing costs across various dimensions. Therefore, this paper proposes a $\textbf{L}$arge $\textbf{L}$anguage $\textbf{M}$odel and $\textbf{M}$ulti-$\textbf{M}$odel data co-powered $\textbf{D}$rug $\textbf{T}$arget $\textbf{I}$nteraction prediction framework, named LLM$^3$-DTI. LLM$^3$-DTI constructs multi-modal data embedding to enhance DTI prediction performance. In this framework, the text semantic embeddings of drugs and targets are encoded by a domain-specific LLM. To effectively align and fuse multi-modal embedding. We propose the dual cross-attention mechanism and the TSFusion module. Finally, these multi-modal data are utilized for the DTI task through an output network. The experimental results indicate that LLM$^3$-DTI can proficiently identify validated DTIs, surpassing the performance of the models employed for comparison across diverse scenarios. Consequently, LLM$^3$-DTI is adept at fulfilling the task of DTI prediction with excellence. The data and code are available at https://github.com/chaser-gua/LLM3DTI.


GAIA: A General Agency Interaction Architecture for LLM-Human B2B Negotiation & Screening

arXiv.org Artificial Intelligence

Organizations are increasingly exploring delegation of screening and negotiation tasks to AI systems, yet deployment in high-stakes B2B settings is constrained by governance: preventing unauthorized commitments, ensuring sufficient information before bargaining, and maintaining effective human oversight and auditability. Prior work on large language model negotiation largely emphasizes autonomous bargaining between agents and omits practical needs such as staged information gathering, explicit authorization boundaries, and systematic feedback integration. We propose GAIA, a governance-first framework for LLM-human agency in B2B negotiation and screening. GAIA defines three essential roles - Principal (human), Delegate (LLM agent), and Counterparty - with an optional Critic to enhance performance, and organizes interactions through three mechanisms: information-gated progression that separates screening from negotiation; dual feedback integration that combines AI critique with lightweight human corrections; and authorization boundaries with explicit escalation paths. Our contributions are fourfold: (1) a formal governance framework with three coordinated mechanisms and four safety invariants for delegation with bounded authorization; (2) information-gated progression via task-completeness tracking (TCI) and explicit state transitions that separate screening from commitment; (3) dual feedback integration that blends Critic suggestions with human oversight through parallel learning channels; and (4) a hybrid validation blueprint that combines automated protocol metrics with human judgment of outcomes and safety. By bridging theory and practice, GAIA offers a reproducible specification for safe, efficient, and accountable AI delegation that can be instantiated across procurement, real estate, and staffing workflows.


WebVIA: A Web-based Vision-Language Agentic Framework for Interactive and Verifiable UI-to-Code Generation

arXiv.org Artificial Intelligence

User interface (UI) development requires translating design mockups into functional code, a process that remains repetitive and labor-intensive. While recent Vision-Language Models (VLMs) automate UI-to-Code generation, they generate only static HTML/CSS/JavaScript layouts lacking interactivity. To address this, we propose WebVIA, the first agentic framework for interactive UI-to-Code generation and validation. The framework comprises three components: 1) an exploration agent to capture multi-state UI screenshots; 2) a UI2Code model that generates executable interactive code; 3) a validation module that verifies the interactivity. Experiments demonstrate that WebVIA-Agent achieves more stable and accurate UI exploration than general-purpose agents (e.g., Gemini-2.5-Pro). In addition, our fine-tuned WebVIA-UI2Code models exhibit substantial improvements in generating executable and interactive HTML/CSS/JavaScript code, outperforming their base counterparts across both interactive and static UI2Code benchmarks. Our code and models are available at \href{https://zheny2751-dotcom.github.io/webvia.github.io/}{\texttt{https://webvia.github.io}}.


Mixtures of SubExperts for Large Language Continual Learning

arXiv.org Artificial Intelligence

Adapting Large Language Models (LLMs) to a continuous stream of tasks is a critical yet challenging endeavor. While Parameter-Efficient Fine-Tuning (PEFT) methods have become a standard for this, they face a fundamental dilemma in continual learning. Reusing a single set of PEFT parameters for new tasks often leads to catastrophic forgetting of prior knowledge. Conversely, allocating distinct parameters for each task prevents forgetting but results in a linear growth of the model's size and fails to facilitate knowledge transfer between related tasks. To overcome these limitations, we propose a novel adaptive PEFT method referred to as \textit{Mixtures of SubExperts (MoSEs)}, a novel continual learning framework designed for minimal forgetting and efficient scalability. MoSEs integrate a sparse Mixture of SubExperts into the transformer layers, governed by a task-specific routing mechanism. This architecture allows the model to isolate and protect knowledge within dedicated SubExperts, thereby minimizing parameter interference and catastrophic forgetting. Crucially, the router can adaptively select and combine previously learned sparse parameters for new tasks, enabling effective knowledge transfer while ensuring that the model's capacity grows sublinearly. We evaluate MoSEs on the comprehensive TRACE benchmark datasets. Our experiments demonstrate that MoSEs significantly outperform conventional continual learning approaches in both knowledge retention and scalability to new tasks, achieving state-of-the-art performance with substantial memory and computational savings.


Overview of CHIP 2025 Shared Task 2: Discharge Medication Recommendation for Metabolic Diseases Based on Chinese Electronic Health Records

arXiv.org Artificial Intelligence

Discharge medication recommendation plays a critical role in ensuring treatment continuity, preventing readmission, and improving long - term management for patients with chronic metabolic diseases. This paper present an overview of the CHIP 2025 Shared Task 2 competition, which aimed to develop state - of - the - art approaches for automatic ally recommend ing appropriate discharge medications using real - world Chinese EHR data . For this task, w e constructed CDrugRed, a high - quality dataset consisting of 5,894 de - identified hospitalization records from 3,190 patients in China . This task is challenging due to multi - label nature of medication recommendation, heterogeneous clinical text, and patient - specific variability in treatment plans . A total of 526 teams registered, with 167 and 95 teams submitting valid results to the Phase A and Phase B leader-boards, respect ively. The top - performing team achieved the highest overall performance on the final test set, with a Jaccard score of 0.5102, F1 score of 0.6267, demonstrating the potential of advanced large language model (LLM) - based ensemble system s .


Assertion-Aware Test Code Summarization with Large Language Models

arXiv.org Artificial Intelligence

Unit tests often lack concise summaries that convey test intent, especially in auto-generated or poorly documented codebases. Large Language Models (LLMs) offer a promising solution, but their effectiveness depends heavily on how they are prompted. Unlike generic code summarization, test-code summarization poses distinct challenges because test methods validate expected behavior through assertions rather than implementing functionality. This paper presents a new benchmark of 91 real-world Java test cases paired with developer-written summaries and conducts a controlled ablation study to investigate how test code-related components-such as the method under test (MUT), assertion messages, and assertion semantics-affect the performance of LLM-generated test summaries. We evaluate four code LLMs (Codex, Codestral, DeepSeek, and Qwen-Coder) across seven prompt configurations using n-gram metrics (BLEU, ROUGE-L, METEOR), semantic similarity (BERTScore), and LLM-based evaluation. Results show that prompting with assertion semantics improves summary quality by an average of 0.10 points (2.3%) over full MUT context (4.45 vs. 4.35) while requiring fewer input tokens. Codex and Qwen-Coder achieve the highest alignment with human-written summaries, while DeepSeek underperforms despite high lexical overlap. The replication package is publicly available at https://doi.org/10. 5281/zenodo.17067550


SPA: Achieving Consensus in LLM Alignment via Self-Priority Optimization

arXiv.org Artificial Intelligence

In high-stakes scenarios-such as self-harm, legal, or medical queries-LLMs must be both trustworthy and helpful. However, these goals often conflict. We propose priority alignment, a new alignment paradigm that enforces a strict "trustworthy-before-helpful" ordering: optimization of helpfulness is conditioned on first meeting trustworthy thresholds (e.g., harmlessness or honesty). To realize this, we introduce Self-Priority Alignment (SPA)-a fully unsupervised framework that generates diverse responses, self-evaluates them and refines them by the model itself, and applies dual-criterion denoising to remove inconsistency and control variance. From this, SPA constructs lexicographically ordered preference pairs and fine-tunes the model using an uncertainty-weighted alignment loss that emphasizes high-confidence, high-gap decisions. Experiments across multiple benchmarks show that SPA improves helpfulness without compromising safety, outperforming strong baselines while preserving general capabilities. Our results demonstrate that SPA provides a scalable and interpretable alignment strategy for critical LLM applications.


Tiny Model, Big Logic: Diversity-Driven Optimization Elicits Large-Model Reasoning Ability in VibeThinker-1.5B

arXiv.org Artificial Intelligence

Challenging the prevailing consensus that small models inherently lack robust reasoning, this report introduces VibeThinker-1.5B, a 1.5B-parameter dense model developed via our Spectrum-to-Signal Principle (SSP). This challenges the prevailing approach of scaling model parameters to enhance capabilities, as seen in models like DeepSeek R1 (671B) and Kimi k2 (>1T). The SSP framework first employs a Two-Stage Diversity-Exploring Distillation (SFT) to generate a broad spectrum of solutions, followed by MaxEnt-Guided Policy Optimization (RL) to amplify the correct signal. With a total training cost of only $7,800, VibeThinker-1.5B demonstrates superior reasoning capabilities compared to closed-source models like Magistral Medium and Claude Opus 4, and performs on par with open-source models like GPT OSS-20B Medium. Remarkably, it surpasses the 400x larger DeepSeek R1 on three math benchmarks: AIME24 (80.3 vs. 79.8), AIME25 (74.4 vs. 70.0), and HMMT25 (50.4 vs. 41.7). This is a substantial improvement over its base model (6.7, 4.3, and 0.6, respectively). On LiveCodeBench V6, it scores 51.1, outperforming Magistral Medium's 50.3 and its base model's 0.0. These findings demonstrate that small models can achieve reasoning capabilities comparable to large models, drastically reducing training and inference costs and thereby democratizing advanced AI research.


Explicit Knowledge-Guided In-Context Learning for Early Detection of Alzheimer's Disease

arXiv.org Artificial Intelligence

Detecting Alzheimer's Disease (AD) from narrative transcripts remains a challenging task for large language models (LLMs), particularly under out-of-distribution (OOD) and data-scarce conditions. While in-context learning (ICL) provides a parameter-efficient alternative to fine-tuning, existing ICL approaches often suffer from task recognition failure, suboptimal demonstration selection, and misalignment between label words and task objectives, issues that are amplified in clinical domains like AD detection. We propose Explicit Knowledge In-Context Learners (EK-ICL), a novel framework that integrates structured explicit knowledge to enhance reasoning stability and task alignment in ICL. EK-ICL incorporates three knowledge components: confidence scores derived from small language models (SLMs) to ground predictions in task-relevant patterns, parsing feature scores to capture structural differences and improve demo selection, and label word replacement to resolve semantic misalignment with LLM priors. In addition, EK-ICL employs a parsing-based retrieval strategy and ensemble prediction to mitigate the effects of semantic homogeneity in AD transcripts. Extensive experiments across three AD datasets demonstrate that EK-ICL significantly outperforms state-of-the-art fine-tuning and ICL baselines. Further analysis reveals that ICL performance in AD detection is highly sensitive to the alignment of label semantics and task-specific context, underscoring the importance of explicit knowledge in clinical reasoning under low-resource conditions.


RAG-targeted Adversarial Attack on LLM-based Threat Detection and Mitigation Framework

arXiv.org Artificial Intelligence

Abstract--The rapid expansion of the Internet of Things (IoT) is reshaping communication and operational practices across industries, but it also broadens the attack surface and increases susceptibility to security breaches. Artificial Intelligence has become a valuable solution in securing IoT networks, with Large Language Models (LLMs) enabling automated attack behavior analysis and mitigation suggestion in Network Intrusion Detection Systems (NIDS). Despite advancements, the use of LLMs in such systems further expands the attack surface, putting entire networks at risk by introducing vulnerabilities such as prompt injection and data poisoning. In this work, we attack an LLM-based IoT attack analysis and mitigation framework to test its adversarial robustness. We construct an attack description dataset and use it in a targeted data poisoning attack that applies word-level, meaning-preserving perturbations to corrupt the Retrieval-Augmented Generation (RAG) knowledge base of the framework. We then compare pre-attack and post-attack mitigation responses from the target model, ChatGPT -5 Thinking, to measure the impact of the attack on model performance, using an established evaluation rubric designed for human experts and judge LLMs. Our results show that small perturbations degrade LLM performance by weakening the linkage between observed network traffic features and attack behavior, and by reducing the specificity and practicality of recommended mitigations for resource-constrained devices. The Internet of Things (IoT) represents a rapidly expanding ecosystem of interconnected devices that communicate across networks to enable data-driven automation and control.