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Inferring the finest pattern of mutual independence from data

arXiv.org Artificial Intelligence

For a random variable $X$, we are interested in the blind extraction of its finest mutual independence pattern $\mu ( X )$. We introduce a specific kind of independence that we call dichotomic. If $\Delta ( X )$ stands for the set of all patterns of dichotomic independence that hold for $X$, we show that $\mu ( X )$ can be obtained as the intersection of all elements of $\Delta ( X )$. We then propose a method to estimate $\Delta ( X )$ when the data are independent and identically (i.i.d.) realizations of a multivariate normal distribution. If $\hat{\Delta} ( X )$ is the estimated set of valid patterns of dichotomic independence, we estimate $\mu ( X )$ as the intersection of all patterns of $\hat{\Delta} ( X )$. The method is tested on simulated data, showing its advantages and limits. We also consider an application to a toy example as well as to experimental data.


Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction

arXiv.org Artificial Intelligence

We present a novel multimodal language model approach for predicting molecular properties by combining chemical language representation with physicochemical features. Our approach, MULTIMODAL-MOLFORMER, utilizes a causal multistage feature selection method that identifies physicochemical features based on their direct causal effect on a specific target property. These causal features are then integrated with the vector space generated by molecular embeddings from MOLFORMER. In particular, we employ Mordred descriptors as physicochemical features and identify the Markov blanket of the target property, which theoretically contains the most relevant features for accurate prediction. Our results demonstrate a superior performance of our proposed approach compared to existing state-of-the-art algorithms, including the chemical language-based MOLFORMER and graph neural networks, in predicting complex tasks such as biodegradability and PFAS toxicity estimation. Moreover, we demonstrate the effectiveness of our feature selection method in reducing the dimensionality of the Mordred feature space while maintaining or improving the model's performance. Our approach opens up promising avenues for future research in molecular property prediction by harnessing the synergistic potential of both chemical language and physicochemical features, leading to enhanced performance and advancements in the field.


On Sensitivity and Robustness of Normalization Schemes to Input Distribution Shifts in Automatic MR Image Diagnosis

arXiv.org Artificial Intelligence

Magnetic Resonance Imaging (MRI) is considered the gold standard of medical imaging because of the excellent soft-tissue contrast exhibited in the images reconstructed by the MRI pipeline, which in-turn enables the human radiologist to discern many pathologies easily. More recently, Deep Learning (DL) models have also achieved state-of-the-art performance in diagnosing multiple diseases using these reconstructed images as input. However, the image reconstruction process within the MRI pipeline, which requires the use of complex hardware and adjustment of a large number of scanner parameters, is highly susceptible to noise of various forms, resulting in arbitrary artifacts within the images. Furthermore, the noise distribution is not stationary and varies within a machine, across machines, and patients, leading to varying artifacts within the images. Unfortunately, DL models are quite sensitive to these varying artifacts as it leads to changes in the input data distribution between the training and testing phases. The lack of robustness of these models against varying artifacts impedes their use in medical applications where safety is critical. In this work, we focus on improving the generalization performance of these models in the presence of multiple varying artifacts that manifest due to the complexity of the MR data acquisition. In our experiments, we observe that Batch Normalization, a widely used technique during the training of DL models for medical image analysis, is a significant cause of performance degradation in these changing environments. As a solution, we propose to use other normalization techniques, such as Group Normalization and Layer Normalization (LN), to inject robustness into model performance against varying image artifacts. Through a systematic set of experiments, we show that GN and LN provide better accuracy for various MR artifacts and distribution shifts.


An Agnostic View on the Cost of Overfitting in (Kernel) Ridge Regression

arXiv.org Artificial Intelligence

We study the cost of overfitting in noisy kernel ridge regression (KRR), which we define as the ratio between the test error of the interpolating ridgeless model and the test error of the optimally-tuned model. We take an "agnostic" view in the following sense: we consider the cost as a function of sample size for any target function, even if the sample size is not large enough for consistency or the target is outside the RKHS. We analyze the cost of overfitting under a Gaussian universality ansatz using recently derived (non-rigorous) risk estimates in terms of the task eigenstructure. Our analysis provides a more refined characterization of benign, tempered and catastrophic overfitting (qv Mallinar et al. 2022).


An overview on the evaluated video retrieval tasks at TRECVID 2022

arXiv.org Artificial Intelligence

The TREC Video Retrieval Evaluation (TRECVID) is a TREC-style video analysis and retrieval evaluation with the goal of promoting progress in research and development of content-based exploitation and retrieval of information from digital video via open, tasks-based evaluation supported by metrology. Over the last twenty-one years this effort has yielded a better understanding of how systems can effectively accomplish such processing and how one can reliably benchmark their performance. TRECVID has been funded by NIST (National Institute of Standards and Technology) and other US government agencies. In addition, many organizations and individuals worldwide contribute significant time and effort. TRECVID 2022 planned for the following six tasks: Ad-hoc video search, Video to text captioning, Disaster scene description and indexing, Activity in extended videos, deep video understanding, and movie summarization. In total, 35 teams from various research organizations worldwide signed up to join the evaluation campaign this year. This paper introduces the tasks, datasets used, evaluation frameworks and metrics, as well as a high-level results overview.


Auditing Predictive Models for Intersectional Biases

arXiv.org Artificial Intelligence

Predictive models that satisfy group fairness criteria in aggregate for members of a protected class, but do not guarantee subgroup fairness, could produce biased predictions for individuals at the intersection of two or more protected classes. To address this risk, we propose Conditional Bias Scan (CBS), a flexible auditing framework for detecting intersectional biases in classification models. CBS identifies the subgroup for which there is the most significant bias against the protected class, as compared to the equivalent subgroup in the non-protected class, and can incorporate multiple commonly used fairness definitions for both probabilistic and binarized predictions. We show that this methodology can detect previously unidentified intersectional and contextual biases in the COMPAS pre-trial risk assessment tool and has higher bias detection power compared to similar methods that audit for subgroup fairness.


Online Self-Supervised Learning in Machine Learning Intrusion Detection for the Internet of Things

arXiv.org Artificial Intelligence

This paper proposes a novel Self-Supervised Intrusion Detection (SSID) framework, which enables a fully online Machine Learning (ML) based Intrusion Detection System (IDS) that requires no human intervention or prior off-line learning. The proposed framework analyzes and labels incoming traffic packets based only on the decisions of the IDS itself using an Auto-Associative Deep Random Neural Network, and on an online estimate of its statistically measured trustworthiness. The SSID framework enables IDS to adapt rapidly to time-varying characteristics of the network traffic, and eliminates the need for offline data collection. This approach avoids human errors in data labeling, and human labor and computational costs of model training and data collection. The approach is experimentally evaluated on public datasets and compared with well-known ML models, showing that this SSID framework is very useful and advantageous as an accurate and online learning ML-based IDS for IoT systems.


Toward Automated Detection of Microbleeds with Anatomical Scale Localization: A Complete Clinical Diagnosis Support Using Deep Learning

arXiv.org Artificial Intelligence

Cerebral Microbleeds (CMBs) are chronic deposits of small blood products in the brain tissues, which have explicit relation to various cerebrovascular diseases depending on their anatomical location, including cognitive decline, intracerebral hemorrhage, and cerebral infarction. However, manual detection of CMBs is a time-consuming and error-prone process because of their sparse and tiny structural properties. The detection of CMBs is commonly affected by the presence of many CMB mimics that cause a high false-positive rate (FPR), such as calcification and pial vessels. This paper proposes a novel 3D deep learning framework that does not only detect CMBs but also inform their anatomical location in the brain (i.e., lobar, deep, and infratentorial regions). For the CMB detection task, we propose a single end-to-end model by leveraging the U-Net as a backbone with Region Proposal Network (RPN). To significantly reduce the FPs within the same single model, we develop a new scheme, containing Feature Fusion Module (FFM) that detects small candidates utilizing contextual information and Hard Sample Prototype Learning (HSPL) that mines CMB mimics and generates additional loss term called concentration loss using Convolutional Prototype Learning (CPL). The anatomical localization task does not only tell to which region the CMBs belong but also eliminate some FPs from the detection task by utilizing anatomical information. The results show that the proposed RPN that utilizes the FFM and HSPL outperforms the vanilla RPN and achieves a sensitivity of 94.66% vs. 93.33% and an average number of false positives per subject (FPavg) of 0.86 vs. 14.73. Also, the anatomical localization task further improves the detection performance by reducing the FPavg to 0.56 while maintaining the sensitivity of 94.66%.


Can a single image processing algorithm work equally well across all phases of DCE-MRI?

arXiv.org Artificial Intelligence

Image segmentation and registration are said to be challenging when applied to dynamic contrast enhanced MRI sequences (DCE-MRI). The contrast agent causes rapid changes in intensity in the region of interest and elsewhere, which can lead to false positive predictions for segmentation tasks and confound the image registration similarity metric. While it is widely assumed that contrast changes increase the difficulty of these tasks, to our knowledge no work has quantified these effects. In this paper we examine the effect of training with different ratios of contrast enhanced (CE) data on two popular tasks: segmentation with nnU-Net and Mask R-CNN and registration using VoxelMorph and VTN. We experimented further by strategically using the available datasets through pretraining and fine tuning with different splits of data. We found that to create a generalisable model, pretraining with CE data and fine tuning with non-CE data gave the best result. This interesting find could be expanded to other deep learning based image processing tasks with DCE-MRI and provide significant improvements to the models performance.


Triggering Dark Showers with Conditional Dual Auto-Encoders

arXiv.org Artificial Intelligence

Auto-encoders (AEs) have the potential to be effective and generic tools for new physics searches at colliders, requiring little to no model-dependent assumptions. New hypothetical physics signals can be considered anomalies that deviate from the well-known background processes generally expected to describe the whole dataset. We present a search formulated as an anomaly detection (AD) problem, using an AE to define a criterion to decide about the physics nature of an event. In this work, we perform an AD search for manifestations of a dark version of strong force using raw detector images, which are large and very sparse, without leveraging any physics-based pre-processing or assumption on the signals. We propose a dual-encoder design which can learn a compact latent space through conditioning. In the context of multiple AD metrics, we present a clear improvement over competitive baselines and prior approaches. It is the first time that an AE is shown to exhibit excellent discrimination against multiple dark shower models, illustrating the suitability of this method as a performant, model-independent algorithm to deploy, e.g., in the trigger stage of LHC experiments such as ATLAS and CMS.