LINKER: Learning Interactions Between Functional Groups and Residues With Chemical Knowledge-Enhanced Reasoning and Explainability

Accurate identification of interactions between protein residues and ligand functional groups is essential to understand molecular recognition and guide rational drug design. Existing deep learning approaches for protein-ligand interpretability often rely on 3D structural input or use distance-based contact labels, limiting both their applicability and biological relevance. We introduce LINKER, the first sequence-based model to predict residue-functional group interactions in terms of biologically defined interaction types, using only protein sequences and the ligand SMILES as input. LINKER is trained with structure-supervised attention, where interaction labels are derived from 3D protein-ligand complexes via functional group-based motif extraction. By abstracting ligand structures into functional groups, the model focuses on chemically meaningful substructures while predicting interaction types rather than mere spatial proximity. Crucially, LINKER requires only sequence-level input at inference time, enabling large-scale application in settings where structural data is unavailable. Experiments on the LP-PDBBind benchmark demonstrate that structure-informed supervision over functional group abstractions yields interaction predictions closely aligned with ground-truth biochemical annotations.

Parking Availability Prediction via Fusing Multi-Source Data with A Self-Supervised Learning Enhanced Spatio-Temporal Inverted Transformer

The rapid growth of private car ownership has worsened the urban parking predicament, underscoring the need for accurate and effective parking availability prediction to support urban planning and management. To address key limitations in modeling spatio-temporal dependencies and exploiting multi-source data for parking availability prediction, this study proposes a novel approach with SST-iTransformer. The methodology leverages K-means clustering to establish parking cluster zones (PCZs), extracting and integrating traffic demand characteristics from various transportation modes (i.e., metro, bus, online ride-hailing, and taxi) associated with the targeted parking lots. Upgraded on vanilla iTransformer, SST-iTransformer integrates masking-reconstruction-based pretext tasks for self-supervised spatio-temporal representation learning, and features an innovative dual-branch attention mechanism: Series Attention captures long-term temporal dependencies via patching operations, while Channel Attention models cross-variate interactions through inverted dimensions. Extensive experiments using real-world data from Chengdu, China, demonstrate that SST-iTransformer outperforms baseline deep learning models (including Informer, Autoformer, Crossformer, and iTransformer), achieving state-of-the-art performance with the lowest mean squared error (MSE) and competitive mean absolute error (MAE). Comprehensive ablation studies quantitatively reveal the relative importance of different data sources: incorporating ride-hailing data provides the largest performance gains, followed by taxi, whereas fixed-route transit features (bus/metro) contribute marginally. Spatial correlation analysis further confirms that excluding historical data from correlated parking lots within PCZs leads to substantial performance degradation, underscoring the importance of modeling spatial dependencies.

A Multidimensional AI-powered Framework for Analyzing Tourist Perception in Historic Urban Quarters: A Case Study in Shanghai

Historic urban quarters play a vital role in preserving cultural heritage while serving as vibrant spaces for tourism and everyday life. Understanding how tourists perceive these environments is essential for sustainable, human-centered urban planning. This study proposes a multidimensional AI-powered framework for analyzing tourist perception in historic urban quarters using multimodal data from social media. Applied to twelve historic quarters in central Shanghai, the framework integrates focal point extraction, color theme analysis, and sentiment mining. Visual focus areas are identified from tourist-shared photos using a fine-tuned semantic segmentation model. To assess aesthetic preferences, dominant colors are extracted using a clustering method, and their spatial distribution across quarters is analyzed. Color themes are further compared between social media photos and real-world street views, revealing notable shifts. This divergence highlights potential gaps between visual expectations and the built environment, reflecting both stylistic preferences and perceptual bias. Tourist reviews are evaluated through a hybrid sentiment analysis approach combining a rule-based method and a multi-task BERT model. Satisfaction is assessed across four dimensions: tourist activities, built environment, service facilities, and business formats. The results reveal spatial variations in aesthetic appeal and emotional response. Rather than focusing on a single technical innovation, this framework offers an integrated, data-driven approach to decoding tourist perception and contributes to informed decision-making in tourism, heritage conservation, and the design of aesthetically engaging public spaces.

Extracting Information from Scientific Literature via Visual Table Question Answering Models

This study explores three approaches to processing table data in scientific papers to enhance extractive question answering and develop a software tool for the systematic review process. The methods evaluated include: (1) Optical Character Recognition (OCR) for extracting information from documents, (2) Pre-trained models for document visual question answering, and (3) Table detection and structure recognition to extract and merge key information from tables with textual content to answer extractive questions. In exploratory experiments, we augmented ten sample test documents containing tables and relevant content against RF- EMF-related scientific papers with seven predefined extractive question-answer pairs. The results indicate that approaches preserving table structure outperform the others, particularly in representing and organizing table content. Accurately recognizing specific notations and symbols within the documents emerged as a critical factor for improved results. Our study concludes that preserving the structural integrity of tables is essential for enhancing the accuracy and reliability of extractive question answering in scientific documents.

SKGE-SWIN: End-To-End Autonomous Vehicle Waypoint Prediction and Navigation Using Skip Stage Swin Transformer

Focusing on the development of an end-to-end autonomous vehicle model with pixel-to-pixel context awareness, this research proposes the SKGE-Swin architecture. This architecture utilizes the Swin Transformer with a skip-stage mechanism to broaden feature representation globally and at various network levels. This approach enables the model to extract information from distant pixels by leveraging the Swin Transformer's Shifted Window-based Multi-head Self-Attention (SW-MSA) mechanism and to retain critical information from the initial to the final stages of feature extraction, thereby enhancing its capability to comprehend complex patterns in the vehicle's surroundings. The model is evaluated on the CARLA platform using adversarial scenarios to simulate real-world conditions. Experimental results demonstrate that the SKGE-Swin architecture achieves a superior Driving Score compared to previous methods. Furthermore, an ablation study will be conducted to evaluate the contribution of each architectural component, including the influence of skip connections and the use of the Swin Transformer, in improving model performance.

Mapping like a Skeptic: Probabilistic BEV Projection for Online HD Mapping

Constructing high-definition (HD) maps from sensory input requires accurately mapping the road elements in image space to the Bird's Eye View (BEV) space. The precision of this mapping directly impacts the quality of the final vectorized HD map. Existing HD mapping approaches outsource the projection to standard mapping techniques, such as attention-based ones. However, these methods struggle with accuracy due to generalization problems, often hallucinating non-existent road elements. Our key idea is to start with a geometric mapping based on camera parameters and adapt it to the scene to extract relevant map information from camera images. To implement this, we propose a novel probabilistic projection mechanism with confidence scores to (i) refine the mapping to better align with the scene and (ii) filter out irrelevant elements that should not influence HD map generation. In addition, we improve temporal processing by using confidence scores to selectively accumulate reliable information over time. Experiments on new splits of the nuScenes and Argoverse2 datasets demonstrate improved performance over state-of-the-art approaches, indicating better generalization. The improvements are particularly pronounced on nuScenes and in the challenging long perception range. Our code and model checkpoints are available at https://github.com/Fatih-Erdogan/mapping-like-skeptic .

Transparent Semantic Spaces: A Categorical Approach to Explainable Word Embeddings

The paper introduces a novel framework based on category theory to enhance the explainability of artificial intelligence systems, particularly focusing on word embeddings. Key topics include the construction of categories $\mathcal{L}_T$ and $\mathcal{P}_T$, providing schematic representations of the semantics of a text $ T $, and reframing the selection of the element with maximum probability as a categorical notion. Additionally, the monoidal category $\mathcal{P}_T$ is constructed to visualize various methods of extracting semantic information from $T$, offering a dimension-agnostic definition of semantic spaces reliant solely on information within the text. Furthermore, the paper defines the categories of configurations Conf and word embeddings $\mathcal{Emb}$, accompanied by the concept of divergence as a decoration on $\mathcal{Emb}$. It establishes a mathematically precise method for comparing word embeddings, demonstrating the equivalence between the GloVe and Word2Vec algorithms and the metric MDS algorithm, transitioning from neural network algorithms (black box) to a transparent framework. Finally, the paper presents a mathematical approach to computing biases before embedding and offers insights on mitigating biases at the semantic space level, advancing the field of explainable artificial intelligence.

How Can Input Reformulation Improve Tool Usage Accuracy in a Complex Dynamic Environment? A Study on $τ$-bench

Recent advances in reasoning and planning capabilities of large language models (LLMs) have enabled their potential as autonomous agents capable of tool use in dynamic environments. However, in multi-turn conversational environments like $\tau$-bench, these agents often struggle with consistent reasoning, adherence to domain-specific policies, and extracting correct information over a long horizon of tool-calls and conversation. To capture and mitigate these failures, we conduct a comprehensive manual analysis of the common errors occurring in the conversation trajectories. We then experiment with reformulations of inputs to the tool-calling agent for improvement in agent decision making. Finally, we propose the Input-Reformulation Multi-Agent (IRMA) framework, which automatically reformulates user queries augmented with relevant domain rules and tool suggestions for the tool-calling agent to focus on. The results show that IRMA significantly outperforms ReAct, Function Calling, and Self-Reflection by 16.1%, 12.7%, and 19.1%, respectively, in overall pass^5 scores. These findings highlight the superior reliability and consistency of IRMA compared to other methods in dynamic environments.

CASE: An Agentic AI Framework for Enhancing Scam Intelligence in Digital Payments

The proliferation of digital payment platforms has transformed commerce, offering unmatched convenience and accessibility globally. However, this growth has also attracted malicious actors, leading to a corresponding increase in sophisticated social engineering scams. These scams are often initiated and orchestrated on multiple surfaces outside the payment platform, making user and transaction-based signals insufficient for a complete understanding of the scam's methodology and underlying patterns, without which it is very difficult to prevent it in a timely manner. This paper presents CASE (Conversational Agent for Scam Elucidation), a novel Agentic AI framework that addresses this problem by collecting and managing user scam feedback in a safe and scalable manner. A conversational agent is uniquely designed to proactively interview potential victims to elicit intelligence in the form of a detailed conversation. The conversation transcripts are then consumed by another AI system that extracts information and converts it into structured data for downstream usage in automated and manual enforcement mechanisms. Using Google's Gemini family of LLMs, we implemented this framework on Google Pay (GPay) India. By augmenting our existing features with this new intelligence, we have observed a 21% uplift in the volume of scam enforcements. The architecture and its robust evaluation framework are highly generalizable, offering a blueprint for building similar AI-driven systems to collect and manage scam intelligence in other sensitive domains.

Trustworthy Agents for Electronic Health Records through Confidence Estimation

Large language models (LLMs) show promise for extracting information from Electronic Health Records (EHR) and supporting clinical decisions. However, deployment in clinical settings faces challenges due to hallucination risks. We propose Hallucination Controlled Accuracy at k% (HCAcc@k%), a novel metric quantifying the accuracy-reliability trade-off at varying confidence thresholds. We introduce TrustEHRAgent, a confidence-aware agent incorporating stepwise confidence estimation for clinical question answering. Experiments on MIMIC-III and eICU datasets show TrustEHRAgent outperforms baselines under strict reliability constraints, achieving improvements of 44.23%p and 25.34%p at HCAcc@70% while baseline methods fail at these thresholds. These results highlight limitations of traditional accuracy metrics in evaluating healthcare AI agents. Our work contributes to developing trustworthy clinical agents that deliver accurate information or transparently express uncertainty when confidence is low.