Performance Analysis
Data Curation Matters: Model Collapse and Spurious Shift Performance Prediction from Training on Uncurated Text Embeddings
Mattioli, Lucas, Hadichou, Youness Ait, Chaouche, Sabrina, Gonzalez, Martin
Training models on uncurated Text Embeddings (TEs) derived from raw tabular data can lead to a severe failure mode known as model collapse, where predictions converge to a single class regardless of input. By comparing models trained with identical hyper-parameter configurations on both raw tabular data and their TE-derived counterparts, we find that collapse is a consistent failure mode in the latter setting. We introduce a set of metrics that capture the extent of model collapse, offering a new perspective on TE quality as a proxy for data curation. Our results reveal that TE alone does not effectively function as a curation layer - and that their quality significantly influences downstream learning. More insidiously, we observe that the presence of model collapse can yield artificially inflated and spurious Accuracy-on-the-Line correlation. These findings highlight the need for more nuanced curation and evaluation of embedding-based representations, particularly in out-of-distribution settings.
OmniESI: A unified framework for enzyme-substrate interaction prediction with progressive conditional deep learning
Nie, Zhiwei, Zhang, Hongyu, Jiang, Hao, Liu, Yutian, Huang, Xiansong, Xu, Fan, Fu, Jie, Ren, Zhixiang, Tian, Yonghong, Zhang, Wen-Bin, Chen, Jie
Understanding and modeling enzyme-substrate interactions is crucial for catalytic mechanism research, enzyme engineering, and metabolic engineering. Although a large number of predictive methods have emerged, they do not incorporate prior knowledge of enzyme catalysis to rationally modulate general protein-molecule features that are misaligned with catalytic patterns. To address this issue, we introduce a two-stage progressive framework, OmniESI, for enzyme-substrate interaction prediction through conditional deep learning. By decomposing the modeling of enzyme-substrate interactions into a two-stage progressive process, OmniESI incorporates two conditional networks that respectively emphasize enzymatic reaction specificity and crucial catalysis-related interactions, facilitating a gradual feature modulation in the latent space from general protein-molecule domain to catalysis-aware domain. On top of this unified architecture, OmniESI can adapt to a variety of downstream tasks, including enzyme kinetic parameter prediction, enzyme-substrate pairing prediction, enzyme mutational effect prediction, and enzymatic active site annotation. Under the multi-perspective performance evaluation of in-distribution and out-of-distribution settings, OmniESI consistently delivered superior performance than state-of-the-art specialized methods across seven benchmarks. More importantly, the proposed conditional networks were shown to internalize the fundamental patterns of catalytic efficiency while significantly improving prediction performance, with only negligible parameter increases (0.16%), as demonstrated by ablation studies on key components. Overall, OmniESI represents a unified predictive approach for enzyme-substrate interactions, providing an effective tool for catalytic mechanism cracking and enzyme engineering with strong generalization and broad applicability.
TROJAN-GUARD: Hardware Trojans Detection Using GNN in RTL Designs
Thorat, Kiran, Hasan, Amit, Ding, Caiwen, Shi, Zhijie
Chip manufacturing is a complex process, and to achieve a faster time to market, an increasing number of untrusted third-party tools and designs from around the world are being utilized. The use of these untrusted third party intellectual properties (IPs) and tools increases the risk of adversaries inserting hardware trojans (HTs). The covert nature of HTs poses significant threats to cyberspace, potentially leading to severe consequences for national security, the economy, and personal privacy. Many graph neural network (GNN)-based HT detection methods have been proposed. However, they perform poorly on larger designs because they rely on training with smaller designs. Additionally, these methods do not explore different GNN models that are well-suited for HT detection or provide efficient training and inference processes. We propose a novel framework that generates graph embeddings for large designs (e.g., RISC-V) and incorporates various GNN models tailored for HT detection. Furthermore, our framework introduces domain-specific techniques for efficient training and inference by implementing model quantization. Model quantization reduces the precision of the weights, lowering the computational requirements, enhancing processing speed without significantly affecting detection accuracy. We evaluate our framework using a custom dataset, and our results demonstrate a precision of 98.66% and a recall (true positive rate) of 92.30%, highlighting the effectiveness and efficiency of our approach in detecting hardware trojans in large-scale chip designs
LLMs for Customized Marketing Content Generation and Evaluation at Scale
Liu, Haoran, Tahmasbi, Amir, Haque, Ehtesham Sam, Jain, Purak
Offsite marketing is essential in e-commerce, enabling businesses to reach customers through external platforms and drive traffic to retail websites. However, most current offsite marketing content is overly generic, template-based, and poorly aligned with landing pages, limiting its effectiveness. To address these limitations, we propose MarketingFM, a retrieval-augmented system that integrates multiple data sources to generate keyword-specific ad copy with minimal human intervention. We validate MarketingFM via offline human and automated evaluations and large-scale online A/B tests. In one experiment, keyword-focused ad copy outperformed templates, achieving up to 9% higher CTR, 12% more impressions, and 0.38% lower CPC, demonstrating gains in ad ranking and cost efficiency. Despite these gains, human review of generated ads remains costly. To address this, we propose AutoEval-Main, an automated evaluation system that combines rule-based metrics with LLM-as-a-Judge techniques to ensure alignment with marketing principles. In experiments with large-scale human annotations, AutoEval-Main achieved 89.57% agreement with human reviewers. Building on this, we propose AutoEval-Update, a cost-efficient LLM-human collaborative framework to dynamically refine evaluation prompts and adapt to shifting criteria with minimal human input. By selectively sampling representative ads for human review and using a critic LLM to generate alignment reports, AutoEval-Update improves evaluation consistency while reducing manual effort. Experiments show the critic LLM suggests meaningful refinements, improving LLM-human agreement. Nonetheless, human oversight remains essential for setting thresholds and validating refinements before deployment.
Advanced Modeling for Exoplanet Detection and Characterization
Research into light curves from stars (temporal variation of brightness) has completely changed how exoplanets are discovered or characterised. This study including star light curves from the Kepler dataset as a way to discover exoplanets (planetary transits) and derive some estimate of their physical characteristics by the light curve and machine learning methods. The dataset consists of measured flux (recordings) for many individual stars and we will examine the light curve of each star and look for periodic dips in brightness due to an astronomical body making a transit. We will apply variables derived from an established method for deriving measurements from light curve data to derive key parameters related to the planet we observed during the transit, such as distance to the host star, orbital period, radius. The orbital period will typically be measured based on the time between transit of the subsequent timelines and the radius will be measured based on the depth of transit. The density of the star and planet can also be estimated from the transit event, as well as very limited information on the albedo (reflectivity) and atmosphere of the planet based on transmission spectroscopy and/or the analysis of phase curve for levels of flux. In addition to these methods, we will employ some machine learning classification of the stars (i.e. likely have an exoplanet or likely do not have an exoplanet) based on flux change. This could help fulfil both the process of looking for exoplanets more efficient as well as providing important parameters for the planet. This will provide a much quicker means of searching the vast astronomical datasets for the likelihood of exoplanets.
Adaptive Multi-prompt Contrastive Network for Few-shot Out-of-distribution Detection
Fang, Xiang, Easwaran, Arvind, Genest, Blaise
Out-of-distribution (OOD) detection attempts to distinguish outlier samples to prevent models trained on the in-distribution (ID) dataset from producing unavailable outputs. Most OOD detection methods require many IID samples for training, which seriously limits their real-world applications. To this end, we target a challenging setting: few-shot OOD detection, where {Only a few {\em labeled ID} samples are available.} Therefore, few-shot OOD detection is much more challenging than the traditional OOD detection setting. Previous few-shot OOD detection works ignore the distinct diversity between different classes. In this paper, we propose a novel network: Adaptive Multi-prompt Contrastive Network (AMCN), which adapts the ID-OOD separation boundary by learning inter- and intra-class distribution. To compensate for the absence of OOD and scarcity of ID {\em image samples}, we leverage CLIP, connecting text with images, engineering learnable ID and OOD {\em textual prompts}. Specifically, we first generate adaptive prompts (learnable ID prompts, label-fixed OOD prompts and label-adaptive OOD prompts). Then, we generate an adaptive class boundary for each class by introducing a class-wise threshold. Finally, we propose a prompt-guided ID-OOD separation module to control the margin between ID and OOD prompts. Experimental results show that AMCN outperforms other state-of-the-art works.
Exploring Strategies for Personalized Radiation Therapy Part I Unlocking Response-Related Tumor Subregions with Class Activation Mapping
Peng, Hao, Jiang, Steve, Timmerman, Robert
Personalized precision radiation therapy requires more than simple classification, it demands the identification of prognostic, spatially informative features and the ability to adapt treatment based on individual response. This study compares three approaches for predicting treatment response: standard radiomics, gradient based features, and convolutional neural networks enhanced with Class Activation Mapping. We analyzed 69 brain metastases from 39 patients treated with Gamma Knife radiosurgery. An integrated autoencoder classifier model was used to predict whether tumor volume would shrink by more than 20 percent at a three months follow up, framed as a binary classification task. The results highlight their strength in hierarchical feature extraction and the classifiers discriminative capacity. Among the models, pixel wise CAM provides the most detailed spatial insight, identifying lesion specific regions rather than relying on fixed patterns, demonstrating strong generalization. In non responding lesions, the activated regions may indicate areas of radio resistance. Pixel wise CAM outperformed both radiomics and gradient based methods in classification accuracy. Moreover, its fine grained spatial features allow for alignment with cellular level data, supporting biological validation and deeper understanding of heterogeneous treatment responses. Although further validation is necessary, these findings underscore the promise in guiding personalized and adaptive radiotherapy strategies for both photon and particle therapies.
Graph Neural Networks in Multi-Omics Cancer Research: A Structured Survey
Zohari, Payam, Chehreghani, Mostafa Haghir
The task of data integration for multi-omics data has emerged as a powerful strategy to unravel the complex biological underpinnings of cancer. Recent advancements in graph neural networks (GNNs) offer an effective framework to model heterogeneous and structured omics data, enabling precise representation of molecular interactions and regulatory networks. This systematic review explores several recent studies that leverage GNN-based architectures in multi-omics cancer research. We classify the approaches based on their targeted omics layers, graph neural network structures, and biological tasks such as subtype classification, prognosis prediction, and biomarker discovery. The analysis reveals a growing trend toward hybrid and interpretable models, alongside increasing adoption of attention mechanisms and contrastive learning. Furthermore, we highlight the use of patient-specific graphs and knowledge-driven priors as emerging directions. This survey serves as a comprehensive resource for researchers aiming to design effective GNN-based pipelines for integrative cancer analysis, offering insights into current practices, limitations, and potential future directions.
Predicting Mild Cognitive Impairment Using Naturalistic Driving and Trip Destination Modeling
Chattopadhyay, Souradeep, Basulto-Elias, Guillermo, Chang, Jun Ha, Rizzo, Matthew, Hallmark, Shauna, Sharma, Anuj, Sarkar, Soumik
Understanding the relationship between mild cognitive impairment (MCI) and driving behavior is essential for enhancing road safety, particularly among older adults. This study introduces a novel approach by incorporating specific trip destinations-such as home, work, medical appointments, social activities, and errands-using geohashing to analyze the driving habits of older drivers in Nebraska. We employed a two-fold methodology that combines data visualization with advanced machine learning models, including C5.0, Random Forest, and Support Vector Machines, to assess the effectiveness of these location-based variables in predicting cognitive impairment. Notably, the C5.0 model showed a robust and stable performance, achieving a median recall of 0.68, which indicates that our methodology accurately identifies cognitive impairment in drivers 68\% of the time. This emphasizes our model's capacity to reduce false negatives, a crucial factor given the profound implications of failing to identify impaired drivers. Our findings underscore the innovative use of life-space variables in understanding and predicting cognitive decline, offering avenues for early intervention and tailored support for affected individuals.
Advancing Digital Precision Medicine for Chronic Fatigue Syndrome through Longitudinal Large-Scale Multi-Modal Biological Omics Modeling with Machine Learning and Artificial Intelligence
We studied a generalized question: chronic diseases like ME/CFS and long COVID exhibit high heterogeneity with multifactorial etiology and progression, complicating diagnosis and treatment. To address this, we developed BioMapAI, an explainable Deep Learning framework using the richest longitudinal multi-omics dataset for ME/CFS to date. This dataset includes gut metagenomics, plasma metabolome, immune profiling, blood labs, and clinical symptoms. By connecting multi-omics to a symptom matrix, BioMapAI identified both disease- and symptom-specific biomarkers, reconstructed symptoms, and achieved state-of-the-art precision in disease classification. We also created the first connectivity map of these omics in both healthy and disease states and revealed how microbiome-immune-metabolome crosstalk shifted from healthy to ME/CFS.