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Yasmeena Akhter, Rishabh Ranjan, Richa Singh, Mayank Vatsa

Silicosis is an irreversible lung disease caused by silica dust exposure in industrial settings. Early detection is crucial, but automatic diagnostic methods are hindered by limited data availability. We propose SHIELD - a self-supervised, Silicosis-focused Hierarchical Imaging framework for early occupational Lung disease Diagnosis. Our method leverages a multi-resolution jigsaw puzzle pretext task on CXR images to extract and preserve features for lung region analysis. By employing a pyramidal strategy to generate pretrained models at various resolutions, followed by fine-tuning and a two-level ensembling across diverse deep learning architectures, SHIELD achieves enhanced diagnostic accuracy. We validate our approach on a publicly collected CXR dataset of 3044 samples from public health centers in India. SHIELD achieves 72% accuracy, demonstrating up to 20% improvement over baseline approaches. This work advances medical image analysis and supports UN Sustainable Development Goal 3 by providing cost-effective early screening in resource-limited settings.

Aisha Aijaz, Arnav Batra, Aryaan Bazaz, Srinath Srinivasa, Raghava Mutharaju, Manohar Kumar

We propose the Moral Compass benchmark, a point of reference for incorporating ethical cognition in AI. It has four key contributions. A Moral Decision Dataset (MDD) that captures cases with ethical ambiguity, along with parameters that aid moral decision-making. It is created using a methodology that leverages the use of Large Language Models (LLMs) and seed data from real-world sources which are processed, summarized, and augmented. We also introduce a Moral Decision Knowledge Graph (MDKG) that is created using feature mappings of the relational dataset MDD to facilitate efficient querying. To demonstrate the validity and robustness of this dataset, we introduce an Ethics Scoring Algorithm (ESA) that makes use of the parameters defined in the dataset to calculate ethical scores for isolated actions. Furthermore, ESA is extended by the novel concept of context-sensitive thresholding (CST) to discretize grey areas to resolve ethical dilemmas with explainable results. This work aims to facilitate ethical cognition in AI systems that are deployed in various important sections of society through a clear methodology, modular development, and broad applicability.

Alba Aguilera, Nardine Osman, Georgina Curto

The global rise in homelessness calls for urgent and alternative policy solutions. Non-profits and governmental organizations alert about the many challenges faced by people experiencing homelessness (PEH), which include not only the lack of shelter but also the lack of opportunities for personal development. In this context, the capability approach (CA), which underpins the United Nations Sustainable Development Goals (SDGs), provides a comprehensive framework to assess inequity in terms of real opportunities. This paper explores how the CA can be combined with agent-based modelling and reinforcement learning. The goals are: (1) implementing the CA as a Markov Decision Process (MDP), (2) building on such MDP to develop a rich decision-making model that accounts for more complex motivators of behaviour, such as values and needs, and (3) developing an agent-based simulation framework that allows to assess alternative policies aiming to expand or restore people's capabilities. The framework is developed in a real case study of health inequity and homelessness, working in collaboration with stakeholders, non-profits and domain experts. The ultimate goal of the project is to develop a novel agent-based simulation framework, rooted in the CA, which can be replicated in a diversity of social challenges to assess policies in a non-invasive way.

Saugat Adhikari, Da Yan, Tianyang Wang, Landon Dyken, Sidharth Kumar, Lyuheng Yuan, Akhlaque Ahmad, Jiao Han, Yang Zhou, Steve Petruzza

Flood extent mapping is crucial for disaster response and damage assessment. While Earth imagery and terrain data (in the form of DEM) are now readily available, there are few flood annotation data for training machine learning models, which hinders the automated mapping of flooded areas. We propose ALFA, an interactive active-learning-based approach to minimize the annotators' efforts when preparing the ground-truth flood map in a satellite image. ALFA calibrates the prediction consistency of a segmentation model (1) across training cycles and (2) for various data augmentations. The two consistencies are integrated into the design of both the acquisition function and the loss function to enhance the robustness of active learning with limited annotation inputs. ALFA recommends those superpixels that the underlying model is most uncertain about, and users can annotate their pixels with minimal clicks with the help of elevation guidance. Extensive experiments on various regions hit by flooding show that we can improve the annotation time from hours to around 20 minutes. ALFA is open sourced at https://github.com/saugatadhikari/alfa.

Bingke Zhu, Xiaoxiao Wang, Minghui Jia, Yihan Tao, Xiao Kong, Ali Luo, Yingying Chen, Ming Tang, Jinqiao Wang

Stellar flare events are critical observational samples for astronomical research; however, recorded flare events remain limited. Stellar flare forecasting can provide additional flare event samples to support research efforts. Despite this potential, no specialized models for stellar flare forecasting have been proposed to date. In this paper, we present extensive experimental evidence demonstrating that both stellar physical properties and historical flare records are valuable inputs for flare forecasting tasks. We then introduce FLARE (Forecasting Light-curve-based Astronomical Records via features Ensemble), the first-of-its-kind large model specifically designed for stellar flare forecasting. FLARE integrates stellar physical properties and historical flare records through a novel Soft Prompt Module and Residual Record Fusion Module. Experiments on the Kepler light curve dataset demonstrate that FLARE achieves superior performance compared to other methods across all evaluation metrics. Finally, we validate the forecast capability of our model through a comprehensive case study.

Zhanwen Zhou, Hankz Hankui Zhuo, Jinghua Zhou, Wushao Wen

With feature size shrinking and design complexity increasing, detailed routing has become a crucial challenge in VLSI design. Although detailed routers have been proposed to judiciously handle hard-to-access pins and various design rules, their performances are sensitive to the order of nets to be routed, especially for those sequential routers with ripup-and-reroute scheme. In the published literature, net ordering strategies mainly rely on experts' knowledge to design heuristics to guarantee their performances. In this paper, we propose a novel transformer-based reinforcement learning framework for net ordering in detailed routing, aiming at automatically gaining failure/success routing experiences and building net order policies to guide detailed routing. Our experimental results show that our framework can effectively reduce the number of design rule violations and routing cost with comparable wirelength and via count, with comparison to state-of-the-art approaches.

Wenyi Zhang, Renjun Jia, Yanhao Wang, Dawei Cheng, Minghao Zhao, Cen Chen

Portfolio optimization encounters persistent challenges in adapting to dynamic markets due to static assumptions and high-dimensional decision spaces. Although reinforcement learning (RL) has emerged as a potential solution, conventional reward engineering often fails to capture complex market dynamics. Recent advances in deep RL and graph neural networks have attempted to enhance market microstructure modeling. However, these methods still struggle with the systematic integration of financial knowledge. To address the above issues, we propose a novel heuristic-guided inverse reinforcement learning framework for portfolio optimization. Specifically, our framework provides an interpretable expert strategy generation mechanism that takes into account sector diversification and correlation constraints. Then, a multi-objective reward optimization method is adopted to adaptively strike a balance between returns and risks. Furthermore, it also utilizes heterogeneous graph policy learning with hierarchical attention mechanisms to explicitly model inter-stock relationships. Finally, we conduct extensive experiments on real-world financial market data to demonstrate that our framework outperforms several state-of-the-art deep learning and RL baselines in terms of risk-adjusted returns. We provide case studies to showcase the ability of our framework to balance return maximization and risk containment. Our code is publicly available at https://github.com/ChloeWenyiZhang/SmartFolio/.

Pengcheng Zhang, Xiaohan Yu, Meiying Gu, Yuchen Wu, Yongsheng Gao, Xiao Bai

Continual ultra-fine-grained visual recognition (C-UFG) aims to continuously learn to categorize the increasing number of cultivates (VC-UFG) and consistently recognize crops across reproductive stages (HC-UFG), which is a fundamental goal of intelligent agriculture. Despite the progress made in general continual learning, C-UFG remains an underexplored issue. This work establishes the first comprehensive C-UFG benchmark using massive soy leaf data. By analyzing recent pre-trained model (PTM) based continual learning methods on the proposed benchmark, we propose two simple yet effective PTM-based methods to boost the performance of VC-UFG and HC-UFG, respectively. On top of those, we integrate the two methods into one unified framework and propose the first unified model, Unic, that is capable of tackling the C-UFG problem where VC-UFG and HC-UFG co-exist in a single continual learning sequence. To understand the effectiveness of the proposed methods, we first evaluate the models on VC-UFG and HC-UFG challenges and then test the proposed Unic on a unified C-UFG challenge. Experimental results demonstrate the proposed methods achieve superior performance for C-UFG. The code is available at https://github.com/PatrickZad/unicufg.

Haodi Zhang, Jiawei Wen, Jiahong Li, Yuanfeng Song, Liang-Jie Zhang, Lin Ma

Automated medication recommendation is a crucial task within the domain of artificial intelligence in healthcare, where recommender systems are supposed to deliver precise, personalized drug combinations tailored to the evolving health states of patients. Existing approaches often treat clinical records (e.g., diagnoses, procedures) as isolated or unified entities, neglecting the inherent set-structured nature of medical data and the need to model interdependencies among clinical elements. To address the gap, we propose SSPNet, a novel end-to-end framework designed to process complete clinical record sets and directly generate optimal medication sets. SSPNet employs a set-based encoder to effectively capture and represent a patient's health condition from the electronic health records (EHRs), while a permutation-consistent decoder predicts the entire medication combination as a set. In addition, we introduce a novel personalized representation mechanism to capture the drugs previously used by individual patients. Extensive experiments on MIMIC-Ⅲ and MIMIC-Ⅳ data sets reveal that SSPNet surpasses existing state-of-the-art methods in the accuracy of medication recommendations.

Han Zhang, Yan Wang, Guanfeng Liu, Pengfei Ding, Huaxiong Wang, Kwok-Yan Lam

To enhance the reliability and credibility of graph neural networks (GNNs) and improve the transparency of their decision logic, a new field of explainability of GNNs (XGNN) has emerged. However, two major limitations severely degrade the performance and hinder the generalizability of existing XGNN methods: they (a) fail to capture the complete decision logic of GNNs across diverse distributions in the entire dataset's sample space, and (b) impose strict prerequisites on edge properties and GNN internal accessibility. To address these limitations, we propose OPEN, a novel cOmprehensive and Prerequisite-free Explainer for GNNs. OPEN, as the first work in the literature, can infer and partition the entire dataset's sample space into multiple environments, each containing graphs that follow a distinct distribution. OPEN further learns the decision logic of GNNs across different distributions by sampling subgraphs from each environment and analyzing their predictions, thus eliminating the need for strict prerequisites. Experimental results demonstrate that OPEN captures nearly complete decision logic of GNNs, outperforms state-of-the-art methods in fidelity while maintaining similar efficiency, and enhances robustness in real-world scenarios.

Yinghua Yao, Yuangang Pan, Xixian Chen

Advancements in deep generative models have enabled the joint modeling of antibody sequence and structure, given the antigen-antibody complex as context. However, existing approaches for optimizing complementarity-determining regions (CDRs) to improve developability properties operate in the raw data space, leading to excessively costly evaluations due to the inefficient search process. To address this, we propose LatEnt blAck-box Design (LEAD), a sequence-structure co-design framework that optimizes both sequence and structure within their shared latent space. Optimizing shared latent codes can not only break through the limitations of existing methods, but also ensure synchronization of different modality designs. Particularly, we design a black-box guidance strategy to accommodate real-world scenarios where many property evaluators are non-differentiable. Experimental results demonstrate that our LEAD achieves superior optimization performance for both single and multi-property objectives. Notably, LEAD reduces query consumption by a half while surpassing baseline methods in property optimization. The code is available at https://github.com/EvaFlower/LatEnt-blAck-box-Design.

Yifan Yang, Jingyuan Wang, Xie Yu, Yibang Tang

Maps are crucial for various smart city applications as a core component of city geographic information systems (GIS). Developing effective Map Entity Representation Learning methods can extract semantic information for downstream tasks like crime rate prediction and land use classification, with significant application potential. A map comprises three entity types: land parcels, road segments, and points of interest. Most existing methods focus on a single entity type, losing inter-entity relationships and weakening representation effectiveness for real-world applications. Thus, jointly modelling and representing multiple map entity types is essential. However, designing a unified framework is challenging due to map data's unstructured, complex, and heterogeneous nature. We propose a novel method, HygMap, to represent all map entity types. We model the map as a heterogeneous hypergraph, design an encoder for map entities, and introduce a hybrid self-supervised training scheme. This architecture comprehensively captures the heterogeneous relationships among map entities at different levels. Experiments on nine downstream tasks with two real-world datasets show that our framework outperforms all baselines, with good computational efficiency and scalability.

Fengqin Yang, Dekui Zhao, Haoxuan Qiu, Yifei Li, Zhiguo Fu

Retrosynthesis, which predicts the reactants of a given target molecule, is an essential task for drug discovery. Retrosynthesis prediction based on molecular graph editing has garnered widespread attention due to excellent interpretability. Existing methods fail to effectively incorporate the chemical knowledge when learning molecular representations. To address this issue, we propose a Knowledge-enhanced Graph Contrastive Learning model (KGCL), which retrieve functional group embeddings from a chemical knowledge graph and integrate them into the atomic embeddings of the product molecule using an attention mechanism. Furthermore, we introduce a graph contrastive learning strategy that generates augmented samples using graph edits to improve the molecular graph encoder. Our proposed method outperforms the strong baseline method Graph2Edits by 1.6% and 3.2% in terms of the top-1 accuracy and top-1 round-trip accuracy on the USPTO-50K dataset, respectively, and also achieves a new state-of-the-art performance among semi-template-based methods on the USPTO-FULL dataset.

Xiaofei Xu, Xiuzhen Zhang, Ke Deng

Fake news and misinformation poses a significant threat to society, making efficient mitigation essential. However, manual fact-checking is costly and lacks scalability. Large Language Models (LLMs) offer promise in automating counter-response generation to mitigate misinformation, but a critical challenge lies in their tendency to hallucinate non-factual information. Existing models mainly rely on LLM self-feedback to reduce hallucination, but this approach is computationally expensive. In this paper, we propose MisMitiFact, Misinformation Mitigation grounded in Facts, an efficient framework for generating fact-grounded counter-responses at scale. MisMitiFact generates simple critique feedback to refine LLM outputs, ensuring responses are grounded in evidence. We develop lightweight, fine-grained critique models trained on data sourced from readily available fact-checking sites to identify and correct errors in key elements such as numerals, entities, and topics in LLM generations. Experiments show that MisMitiFact generates counter-responses of comparable quality to LLMs' self-feedback while using significantly smaller critique models. Importantly, it achieves ~5x increase in feedback generation throughput, making it highly suitable for cost-effective, large-scale misinformation mitigation. Code and additional results are available at https://github.com/xxfwin/MisMitiFact.

Hongxin Xie, Jiande Sun, Fanfu Xue, Zifei Han, Shanshan Feng, Qi Chen

Molecular odor prediction involves using a molecule's structure to estimate its odor. While accurate prediction remains challenging, AI models can suggest potential odors. Existing methods, however, often rely on basic descriptors or handcrafted fingerprints, which lack expressive power and hinder effective learning. Furthermore, these methods suffer from severe class imbalance, limiting the training effectiveness of AI models. To address these challenges, we propose a Feature Contribution-driven Hierarchical Multi-Feature Mapping Network (HMFNet). Specifically, we introduce a fine-grained, Local Multi-Hierarchy Feature Extraction module (LMFE) that performs deep feature extraction at the atomic level, capturing detailed features crucial for odor prediction. To enhance the extraction of discriminative atomic features, we integrate a Harmonic Modulated Feature Mapping (HMFM). This module dynamically learns feature importance and frequency modulation, improving the model's capability to capture relevant patterns. Additionally, a Global Multi-Hierarchy Feature Extraction module (GMFE) is designed to learn global features from the molecular graph topology, enabling the model to fully leverage global information and enhance its discriminative power for odor prediction. To further mitigate the issue of class imbalance, we propose a Chemically-Informed Loss (CIL). Experimental results demonstrate that our approach significantly improves performance across various deep learning models, highlighting its potential to advance molecular structure representation and accelerate the development of AI-driven technologies.

Jiaping Xiao, Rangya Zhang, Yuhang Zhang, Lu Bai, Qianlei Jia, Mir Feroskhan

Space situational awareness (SSA) plays an imperative role in maintaining safe space operations, especially given the increasingly congested space traffic around the Earth. Space-based SSA offers a flexible and lightweight solution compared to traditional ground-based SSA. With advanced machine learning approaches, space-based SSA can extract features from high-resolution images in space to detect and track resident space objects (RSOs). However, existing spacecraft image datasets, such as SPARK, fall short of providing realistic camera observations, rendering the derived algorithms unsuitable for real SSA systems. In this work, we introduce SpaceDet, a large-scale realistic space-based image dataset for SSA. We consider accurate space orbit dynamics and a physical camera model with various noise distributions, generating images at the photon level. To extend the available observation window, four overlapping cameras are simulated with a fixed rotation angle. SpaceDet includes images of RSOs observed from 19 km to 63,000 km, captured by a tracker operating in LEO, MEO, and GEO orbits over a period of 5,000 seconds. Each image has a resolution of 4418 x 4418 pixels, providing detailed features for developing advanced SSA approaches. We split the dataset into three subsets: SpaceDet-100, SpaceDet-5000, and SpaceDet-full, catering to various image processing applications. The SpaceDet-full corpus includes a comprehensive dataloader with 781.5 GB of images and 25.9 MB of ground truth labels. Furthermore, we adapted detection and tracking algorithms on the collected dataset using a specified splitting method to accelerate the training process. The trained model can detect RSOs from real-world space observations with zero-shot capability.

Yichi Wang, Tian Huang, Dandan Huang, Zhaohai Bai, Xuan Wang, Lin Ma, Haodi Zhang

The deep operator networks (DON), a class of neural operators that learn mappings between function spaces, have recently emerged as surrogate models for parametric partial differential equations (PDEs). However, their full potential for accurately approximating general black-box PDEs remains underexplored due to challenges in training stability and performance, primarily arising from difficulties in learning mappings between low-dimensional inputs and high-dimensional outputs. Furthermore, inadequate encoding of input functions and query positions limits the generalization ability of DONs. To address these challenges, we propose the Dynamical Coupled Operator (DCO), which incorporates temporal dynamics to learn coupled functions, reducing information loss and improving training robustness. Additionally, we introduce an adaptive spectral input function encoder based on empirical mode decomposition to enhance input function representation, as well as a hybrid location encoder to improve query location encoding. We provide theoretical guarantees on the universal expressiveness of DCO, ensuring its applicability to a wide range of PDE problems. Extensive experiments on real-world, high-dimensional PDE datasets demonstrate that DCO significantly outperforms DONs.

Satyavrat Wagle, Akshay Malhotra, Shahab Hamidi-Rad, Aditya Sant, David J. Love, Christopher G. Brinton

In recent years, machine learning (ML) methods have become increasingly popular in wireless communication systems for several applications. A critical bottleneck for designing ML systems for wireless communications is the availability of realistic wireless channel datasets, which are extremely resource-intensive to produce. To this end, the generation of realistic wireless channels plays a key role in the subsequent design of effective ML algorithms for wireless communication systems. Generative models have been proposed to synthesize channel matrices, but outputs produced by such methods may not correspond to geometrically viable channels and do not provide any insight into the scenario being generated. In this work, we aim to address both these issues by integrating established parametric, physics-based geometric channel (PPGC) modeling frameworks with generative methods to produce realistic channel matrices with interpretable representations in the parameter domain. We show that the generative model converges to prohibitively suboptimal stationary points when learning the underlying prior directly over the parameters due to the non-convex PPGC model. To address this limitation, we propose a linearized reformulation of the problem to ensure smooth gradient flow during generative model training, while also providing insights into the underlying physical environment. We evaluate our model against prior baselines by comparing the generated, scenario-specific samples in terms of the 2-Wasserstein distance and through its utility when used for downstream compression tasks.

Lo Pang-Yun Ting, Yu-Hao Chiang, Yi-Tung Tsai, Hsu-Chao Lai, Kun-Ta Chuang

In the semiconductor industry, integrated circuit (IC) processes play a vital role, as the rising complexity and market expectations necessitate improvements in yield. Identifying IC defects and assigning IC testing tasks to the right engineers improves efficiency and reduces losses. While current studies emphasize fault localization or defect classification, they overlook the integration of defect characteristics, historical failures, and the insights from engineer expertise, which restrains their effectiveness in improving IC handling. To leverage AI for these challenges, we propose DeCo, an innovative approach for optimizing task assignment in IC testing. DeCo constructs a novel defect-aware graph from IC testing reports, capturing co-failure relationships to enhance defect differentiation, even with scarce defect data. Additionally, it formulates defect-aware representations for engineers and tasks, reinforced by local and global structure modeling on the defect-aware graph. Finally, a contrasting-based assignment mechanism pairs testing tasks with QA engineers by considering their skill level and current workload, thus promoting an equitable and efficient job dispatch. Experiments on a real-world dataset demonstrate that DeCo achieves the highest task-handling success rates in different scenarios, exceeding 80%, while also maintaining balanced workloads on both scarce or expanded defect data. Moreover, case studies reveal that DeCo can assign tasks to potentially capable engineers, even for their unfamiliar defects, highlighting its potential as an AI-driven solution for the real-world IC failure analysis and task handling.

Zhenyu Tao, Wei Xu, Xiaohu You

In modern wireless networks, user mobility modeling plays a pivotal role in learning-based network optimization, particularly in tasks such as user association and resource allocation. Traditional random mobility models, e.g., random waypoint and Gauss Markov model, often fail to accurately capture the distribution patterns of users within real-world areas. While trace-based mobility models and advanced learning-based trajectory generation methods offer improvements, they are frequently limited by the scarcity of real-world trajectory data in target areas, primarily due to privacy concerns. This paper introduces Map2Traj, a novel zero-shot trajectory generation method that leverages the diffusion model to capture the intrinsic relationship between street maps and user mobility. With solely the street map of an unobserved area, Map2Traj generates synthetic user trajectories that closely resemble the real-world ones in trajectory pattern and spatial distribution. This enables the creation of high-fidelity individual user channel states and an accurate representation of the overall network user distribution, facilitating effective wireless network optimization. Extensive experiments across multiple regions in Xi'an and Chengdu, China demonstrate the effectiveness of our proposed method for zero-shot trajectory generation. A case study applying Map2Traj to user association and load balancing in wireless networks is also presented to validate its efficacy in network optimization.