Accuracy
Hybrid Quantum-Classical Neural Networks for Few-Shot Credit Risk Assessment
Wang, Zheng-an, Wang, Yanbo J., Zhang, Jiachi, Xu, Qi, Zhao, Yilun, Li, Jintao, Zhang, Yipeng, Yang, Bo, Gao, Xinkai, Cao, Xiaofeng, Xu, Kai, Hao, Pengpeng, Yang, Xuan, Fan, Heng
Quantum Machine Learning (QML) offers a new paradigm for addressing complex financial problems intractable for classical methods. This work specifically tackles the challenge of few-shot credit risk assessment, a critical issue in inclusive finance where data scarcity and imbalance limit the effectiveness of conventional models. To address this, we design and implement a novel hybrid quantum-classical workflow. The methodology first employs an ensemble of classical machine learning models (Logistic Regression, Random Forest, XGBoost) for intelligent feature engineering and dimensionality reduction. Subsequently, a Quantum Neural Network (QNN), trained via the parameter-shift rule, serves as the core classifier. This framework was evaluated through numerical simulations and deployed on the Quafu Quantum Cloud Platform's ScQ-P21 superconducting processor. On a real-world credit dataset of 279 samples, our QNN achieved a robust average AUC of 0.852 +/- 0.027 in simulations and yielded an impressive AUC of 0.88 in the hardware experiment. This performance surpasses a suite of classical benchmarks, with a particularly strong result on the recall metric. This study provides a pragmatic blueprint for applying quantum computing to data-constrained financial scenarios in the NISQ era and offers valuable empirical evidence supporting its potential in high-stakes applications like inclusive finance.
Automated Triaging and Transfer Learning of Incident Learning Safety Reports Using Large Language Representational Models
Beidler, Peter, Nguyen, Mark, Lybarger, Kevin, Holmberg, Ola, Ford, Eric, Kang, John
PURPOSE: Incident reports are an important tool for safety and quality improvement in healthcare, but manual review is time-consuming and requires subject matter expertise. Here we present a natural language processing (NLP) screening tool to detect high-severity incident reports in radiation oncology across two institutions. METHODS AND MATERIALS: We used two text datasets to train and evaluate our NLP models: 7,094 reports from our institution (Inst.), and 571 from IAEA SAFRON (SF), all of which had severity scores labeled by clinical content experts. We trained and evaluated two types of models: baseline support vector machines (SVM) and BlueBERT which is a large language model pretrained on PubMed abstracts and hospitalized patient data. We assessed for generalizability of our model in two ways. First, we evaluated models trained using Inst.-train on SF-test. Second, we trained a BlueBERT_TRANSFER model that was first fine-tuned on Inst.-train then on SF-train before testing on SF-test set. To further analyze model performance, we also examined a subset of 59 reports from our Inst. dataset, which were manually edited for clarity. RESULTS Classification performance on the Inst. test achieved AUROC 0.82 using SVM and 0.81 using BlueBERT. Without cross-institution transfer learning, performance on the SF test was limited to an AUROC of 0.42 using SVM and 0.56 using BlueBERT. BlueBERT_TRANSFER, which was fine-tuned on both datasets, improved the performance on SF test to AUROC 0.78. Performance of SVM, and BlueBERT_TRANSFER models on the manually curated Inst. reports (AUROC 0.85 and 0.74) was similar to human performance (AUROC 0.81). CONCLUSION: In summary, we successfully developed cross-institution NLP models on incident report text from radiation oncology centers. These models were able to detect high-severity reports similarly to humans on a curated dataset.
Sparse Neurons Carry Strong Signals of Question Ambiguity in LLMs
Zhang, Zhuoxuan, Duan, Jinhao, Kim, Edward, Xu, Kaidi
Ambiguity is pervasive in real-world questions, yet large language models (LLMs) often respond with confident answers rather than seeking clarification. In this work, we show that question ambiguity is linearly encoded in the internal representations of LLMs and can be both detected and controlled at the neuron level. During the model's pre-filling stage, we identify that a small number of neurons, as few as one, encode question ambiguity information. Probes trained on these Ambiguity-Encoding Neurons (AENs) achieve strong performance on ambiguity detection and generalize across datasets, outperforming prompting-based and representation-based baselines. Layerwise analysis reveals that AENs emerge from shallow layers, suggesting early encoding of ambiguity signals in the model's processing pipeline. Finally, we show that through manipulating AENs, we can control LLM's behavior from direct answering to abstention. Our findings reveal that LLMs form compact internal representations of question ambiguity, enabling interpretable and controllable behavior.
Controllable Pareto Trade-off between Fairness and Accuracy
Du, Yongkang, Zhao, Jieyu, Yang, Yijun, Zhou, Tianyi
The fairness-accuracy trade-off is a key challenge in NLP tasks. Current work focuses on finding a single "optimal" solution to balance the two objectives, which is limited considering the diverse solutions on the Pareto front. This work intends to provide controllable trade-offs according to the user's preference of the two objectives, which is defined as a reference vector. To achieve this goal, we apply multi-objective optimization (MOO), which can find solutions from various regions of the Pareto front. However, it is challenging to precisely control the trade-off due to the stochasticity of the training process and the high dimentional gradient vectors. Thus, we propose Controllable Pareto Trade-off (CPT) that can effectively train models to perform different trade-offs according to users' preferences. CPT 1) stabilizes the fairness update with a moving average of stochastic gradients to determine the update direction, and 2) prunes the gradients by only keeping the gradients of the critical parameters. We evaluate CPT on hate speech detection and occupation classification tasks. Experiments show that CPT can achieve a higher-quality set of solutions on the Pareto front than the baseline methods. It also exhibits better controllability and can precisely follow the human-defined reference vectors.
Meta-Learning Linear Models for Molecular Property Prediction
Pimonova, Yulia, Taylor, Michael G., Allen, Alice, Yang, Ping, Lubbers, Nicholas
Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern data-driven approaches have increased the demand for data. In response to the growing demand for explainable AI (XAI) and to bridge the gap between predictive accuracy and human comprehensibility, we introduce LAMeL - a Linear Algorithm for Meta-Learning that preserves interpretability while improving the prediction accuracy across multiple properties. While most approaches treat each chemical prediction task in isolation, LAMeL leverages a meta-learning framework to identify shared model parameters across related tasks, even if those tasks do not share data, allowing it to learn a common functional manifold that serves as a more informed starting point for new unseen tasks. Our method delivers performance improvements ranging from 1.1- to 25-fold over standard ridge regression, depending on the domain of the dataset. While the degree of performance enhancement varies across tasks, LAMeL consistently outperforms or matches traditional linear methods, making it a reliable tool for chemical property prediction where both accuracy and interpretability are critical.
An Empirical Analysis of VLM-based OOD Detection: Mechanisms, Advantages, and Sensitivity
Lee, Yuxiao, Cao, Xiaofeng, Ye, Wei, Yao, Jiangchao, Song, Jingkuan, Shen, Heng Tao
Vision-Language Models (VLMs), such as CLIP, have demonstrated remarkable zero-shot out-of-distribution (OOD) detection capabilities, vital for reliable AI systems. Despite this promising capability, a comprehensive understanding of (1) why they work so effectively, (2) what advantages do they have over single-modal methods, and (3) how is their behavioral robustness -- remains notably incomplete within the research community. This paper presents a systematic empirical analysis of VLM-based OOD detection using in-distribution (ID) and OOD prompts. (1) Mechanisms: We systematically characterize and formalize key operational properties within the VLM embedding space that facilitate zero-shot OOD detection. (2) Advantages: We empirically quantify the superiority of these models over established single-modal approaches, attributing this distinct advantage to the VLM's capacity to leverage rich semantic novelty. (3) Sensitivity: We uncovers a significant and previously under-explored asymmetry in their robustness profile: while exhibiting resilience to common image noise, these VLM-based methods are highly sensitive to prompt phrasing. Our findings contribute a more structured understanding of the strengths and critical vulnerabilities inherent in VLM-based OOD detection, offering crucial, empirically-grounded guidance for developing more robust and reliable future designs.
Humor in Pixels: Benchmarking Large Multimodal Models Understanding of Online Comics
Ryan, Yuriel, Tan, Rui Yang, Choo, Kenny Tsu Wei, Lee, Roy Ka-Wei
Understanding humor is a core aspect of social intelligence, yet it remains a significant challenge for Large Multimodal Models (LMMs). We introduce PixelHumor, a benchmark dataset of 2,800 annotated multi-panel comics designed to evaluate LMMs' ability to interpret multimodal humor and recognize narrative sequences. Experiments with state-of-the-art LMMs reveal substantial gaps: for instance, top models achieve only 61% accuracy in panel sequencing, far below human performance. This underscores critical limitations in current models' integration of visual and textual cues for coherent narrative and humor understanding. By providing a rigorous framework for evaluating multimodal contextual and narrative reasoning, PixelHumor aims to drive the development of LMMs that better engage in natural, socially aware interactions.
On the Out-of-Distribution Backdoor Attack for Federated Learning
Xu, Jiahao, Zhang, Zikai, Hu, Rui
Traditional backdoor attacks in federated learning (FL) operate within constrained attack scenarios, as they depend on visible triggers and require physical modifications to the target object, which limits their practicality. To address this limitation, we introduce a novel backdoor attack prototype for FL called the out-of-distribution (OOD) backdoor attack ($\mathtt{OBA}$), which uses OOD data as both poisoned samples and triggers simultaneously. Our approach significantly broadens the scope of backdoor attack scenarios in FL. To improve the stealthiness of $\mathtt{OBA}$, we propose $\mathtt{SoDa}$, which regularizes both the magnitude and direction of malicious local models during local training, aligning them closely with their benign versions to evade detection. Empirical results demonstrate that $\mathtt{OBA}$ effectively circumvents state-of-the-art defenses while maintaining high accuracy on the main task. To address this security vulnerability in the FL system, we introduce $\mathtt{BNGuard}$, a new server-side defense method tailored against $\mathtt{SoDa}$. $\mathtt{BNGuard}$ leverages the observation that OOD data causes significant deviations in the running statistics of batch normalization layers. This allows $\mathtt{BNGuard}$ to identify malicious model updates and exclude them from aggregation, thereby enhancing the backdoor robustness of FL. Extensive experiments across various settings show the effectiveness of $\mathtt{BNGuard}$ on defending against $\mathtt{SoDa}$. The code is available at https://github.com/JiiahaoXU/SoDa-BNGuard.
Flow-Based Fragment Identification via Binding Site-Specific Latent Representations
Neeser, Rebecca Manuela, Igashov, Ilia, Schneuing, Arne, Bronstein, Michael, Schwaller, Philippe, Correia, Bruno
Fragment-based drug design is a promising strategy leveraging the binding of small chemical moieties that can efficiently guide drug discovery. The initial step of fragment identification remains challenging, as fragments often bind weakly and non-specifically. We developed a protein-fragment encoder that relies on a contrastive learning approach to map both molecular fragments and protein surfaces in a shared latent space. The encoder captures interaction-relevant features and allows to perform virtual screening as well as generative design with our new method LatentFrag. In LatentFrag, fragment embeddings and positions are generated conditioned on the protein surface while being chemically realistic by construction. Our expressive fragment and protein representations allow location of protein-fragment interaction sites with high sensitivity and we observe state-of-the-art fragment recovery rates when sampling from the learned distribution of latent fragment embeddings. Our generative method outperforms common methods such as virtual screening at a fraction of its computational cost providing a valuable starting point for fragment hit discovery. We further show the practical utility of LatentFrag and extend the workflow to full ligand design tasks. Together, these approaches contribute to advancing fragment identification and provide valuable tools for fragment-based drug discovery.
On the Correlation between Individual Fairness and Predictive Accuracy in Probabilistic Models
Antonucci, Alessandro, Rossetto, Eric, Duvnjak, Ivan
We investigate individual fairness in generative probabilistic classifiers by analysing the robustness of posterior inferences to perturbations in private features. Building on established results in robustness analysis, we hypothesise a correlation between robustness and predictive accuracy, specifically, instances exhibiting greater robustness are more likely to be classified accurately. We empirically assess this hypothesis using a benchmark of fourteen datasets with fairness concerns, employing Bayesian networks as the underlying generative models. To address the computational complexity associated with robustness analysis over multiple private features with Bayesian networks, we reformulate the problem as a most probable explanation task in an auxiliary Markov random field. Our experiments confirm the hypothesis about the correlation, suggesting novel directions to mitigate the traditional trade-off between fairness and accuracy.