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.

Deep learning algorithms are becoming an essential component of many artificial intelligence (AI) driven applications, many of which run on resource-constrained and energy-constrained systems. For efficient deployment of these algorithms, although different techniques for the compression of neural network models are proposed, neural pruning is one of the fastest and effective methods, which can provide a high compression gain with minimal cost. To harness enhanced performance gain with respect to model complexity, we propose a novel neural network pruning approach utilizing Hessian-vector products that approximate crucial curvature information in the loss function, which significantly reduces the computation demands. By employing a power iteration method, our algorithm effectively identifies and preserves the essential information, ensuring a balanced trade-off between model accuracy and computational efficiency. Herein, we introduce CAMP-HiVe, a cyclic pair merging-based pruning with Hessian Vector approximation by iteratively consolidating weight pairs, combining significant and less significant weights, thus effectively streamlining the model while preserving its performance. This dynamic, adaptive framework allows for real-time adjustment of weight significance, ensuring that only the most critical parameters are retained. Our experimental results demonstrate that our proposed method achieves significant reductions in computational requirements while maintaining high performance across different neural network architectures, e.g., ResNet18, ResNet56, and MobileNetv2, on standard benchmark datasets, e.g., CIFAR10, CIFAR-100, and ImageNet, and it outperforms the existing state-of-the-art neural pruning methods.

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.

Retrieving molecular structures from tandem mass spectra is a crucial step in rapid compound identification. Existing retrieval methods, such as traditional mass spectral library matching, suffer from limited spectral library coverage, while recent cross-modal representation learning frameworks often encounter modality misalignment, resulting in suboptimal retrieval accuracy and generalization. To address these limitations, we propose GLMR, a Generative Language Model-based Retrieval framework that mitigates the cross-modal misalignment through a two-stage process. In the pre-retrieval stage, a contrastive learning-based model identifies top candidate molecules as contextual priors for the input mass spectrum. In the generative retrieval stage, these candidate molecules are integrated with the input mass spectrum to guide a generative model in producing refined molecular structures, which are then used to re-rank the candidates based on molecular similarity. Experiments on both MassSpecGym and the proposed MassRET-20k dataset demonstrate that GLMR significantly outperforms existing methods, achieving over 40% improvement in top-1 accuracy and exhibiting strong generalizability.

Abstract--This paper studies optimization proxies--machine learning (ML) models trained to efficiently predict optimal solutions for AC Optimal Power Flow (ACOPF) problems. While promising, optimization proxy performance heavily depends on training data quality. T o address this limitation, this paper introduces a novel active sampling framework for ACOPF optimization proxies designed to generate realistic and diverse training data. The framework actively explores varied, flexible problem specifications reflecting plausible operational realities. More importantly, the approach uses optimization-specific quantities (active constraint sets) that better capture the salient features of an ACOPF that lead to the optimal solution. Numerical results show superior generalization over existing sampling methods with an equivalent training budget, significantly advancing the state-of-practice for trustworthy ACOPF optimization proxies.

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.

Human emotions fundamentally shape decision-making, social interactions, and cognitive processes. Modern human-computer interaction (HCI) systems, however, remain largely oblivious to users' affective states, relying exclusively on explicit inputs such as touch, speech, or gaze. The proliferation of consumer wearables such as smartwatches, fitness trackers, and health monitors has democratized access to continuous physiological data, creating unprecedented opportunities for emotionally intelligent computing [1, 2]. Physiological signals offer several advantages over traditional modalities (facial expressions, voice) for emotion recognition: they are continuous, difficult to consciously manipulate, and unaffected by environmental factors such as lighting or occlusion [3]. Among these signals, heart rate variability (HR V), the temporal variation between consecutive heartbeats, has emerged as a robust biomarker of autonomic nervous system activity and emotional states [4, 5]. Despite significant research advances in affective computing, most emotion recognition systems exhibit two critical limitations: 1. Privacy vulnerabilities: Cloud-based inference requires transmitting sensitive bio-metric data to external servers, exposing users to data breaches, surveillance, and loss of autonomy [6].

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 .

Abstract--This paper focuses on dynamic origin-destination matrix estimation (DODE), a crucial calibration process necessary for the effective application of microscopic traffic simulations. The fundamental challenge of the DODE problem in microscopic simulations stems from the complex temporal dynamics and inherent uncertainty of individual vehicle dynamics. This makes it highly challenging to precisely determine which vehicle traverses which link at any given moment, resulting in intricate and often ambiguous relationships between origin-destination (OD) matrices and their contributions to resultant link flows. This phenomenon constitutes the credit assignment problem, a central challenge addressed in this study . We formulate the DODE problem as a Markov Decision Process (MDP) and propose a novel framework that applies model-free deep reinforcement learning (DRL). Within our proposed framework, the agent learns an optimal policy to sequentially generate OD matrices, refining its strategy through direct interaction with the simulation environment. The proposed method is validated on the Nguyen-Dupuis network using SUMO, where its performance is evaluated against ground-truth link flows aggregated at 5-minute intervals over a 30-minute horizon. Experimental results demonstrate that our approach achieves a 43.2% reduction in mean squared error (MSE) compared to the best-performing conventional baseline. By reframing DODE as a sequential decision-making problem, our approach addresses the credit assignment challenge through its learned policy, thereby overcoming the limitations of conventional methods and proposing a novel framework for calibration of microscopic traffic simulations. Modern strategies, such as speed harmonization, lane-changing control, and adaptive traffic signal control, are now predominantly designed and evaluated at the microscopic level, marking a significant shift in traffic management paradigms [2], [3], [4].

Accurate accident anticipation is essential for enhancing the safety of autonomous vehicles (A Vs). However, existing methods often assume ideal conditions, overlooking challenges such as sensor failures, environmental disturbances, and data imperfections, which can significantly degrade prediction accuracy. Additionally, previous models have not adequately addressed the considerable variability in driver behavior and accident rates across different vehicle types. To overcome these limitations, this study introduces ROAR, a novel approach for accident detection and prediction. ROAR combines Discrete Wavelet Transform (DWT), a self-adaptive object-aware module, and dynamic focal loss to tackle these challenges. The DWT effectively extracts features from noisy and incomplete data, while the object-aware module improves accident prediction by focusing on high-risk vehicles and modeling the spatial-temporal relationships among traffic agents. Evaluated on three widely used datasets--Dashcam Accident Dataset (DAD), Car Crash Dataset (CCD), and AnAn Accident Detection (A3D)--our model consistently outperforms existing baselines in key metrics such as Average Precision (AP) and mean Time-to-Accident (mTT A). These results demonstrate the model's robustness in real-world conditions, particularly in handling sensor degradation, environmental noise, and imbalanced data distributions. This work offers a promising solution for reliable and accurate accident anticipation in complex traffic environments. INTRODUCTION Traffic accidents are a persistent global issue, causing significant harm to both individuals and society. With the rise of autonomous driving, the need to proactively address this challenge has never been more pressing [1].