Conversation disentanglement aims to group utterances into detached sessions, which is a fundamental task in processing multi-party conversations. Existing methods have two main drawbacks. First, they overemphasize pairwise utterance relations but pay inadequate attention to the utterance-to-context relation modeling. Second, huge amount of human annotated data is required for training, which is expensive to obtain in practice. To address these issues, we propose a general disentangle model based on bi-level contrastive learning. It brings closer utterances in the same session while encourages each utterance to be near its clustered session prototypes in the representation space. Unlike existing approaches, our disentangle model works in both supervised setting with labeled data and unsupervised setting when no such data is available. The proposed method achieves new state-of-the-art performance on both settings across several public datasets.

To be resubmitted to the Journal of Alzheimer's Disease Please address correspondence to: Dr. Yalin Wang School of Computing and Augmented Intelligence Arizona State University P.O. As such, the investigators within the ADNI contributed to the design and implementation of ADNI and/or provided data but did not participate in the analysis or writing of this report. ABSTRACT (235 WORDS) Background: Beta-amyloid (Aβ) plaques and tau protein tangles in the brain are the defining'A' and'T' hallmarks of Alzheimer's disease (AD), and together with structural atrophy detectable on brain magnetic resonance imaging (MRI) scans as one of the neurodegenerative ('N') biomarkers comprise the "ATN framework" of AD. Current methods to detect Aβ/tau pathology include cerebrospinal fluid (CSF; invasive), positron emission tomography (PET; costly and not widely available), and blood-based biomarkers (BBBM; promising but mainly still in development). Objective: To develop a non-invasive and widely available structural MRI-based framework to quantitatively predict the amyloid and tau measurements. Methods: With MRI-based hippocampal multivariate morphometry statistics (MMS) features, we apply our Patch Analysis-based Surface Correntropy-induced Sparse coding and max-pooling (PASCS-MP) method combined with the ridge regression model to individual amyloid/tau measure prediction. Results: We evaluate our framework on amyloid PET/MRI and tau PET/MRI datasets from the Alzheimer's Disease Neuroimaging Initiative (ADNI). Each subject has one pair consisting of a PET image and MRI scan, collected at about the same time. Experimental results suggest that amyloid/tau measurements predicted with our PASCP-MP representations are closer to the real values than the measures derived from other approaches, such as hippocampal surface area, volume, and shape morphometry features based on spherical harmonics (SPHARM). Conclusion: The MMS-based PASCP-MP is an efficient tool that can bridge hippocampal atrophy with amyloid and tau pathology and thus help assess disease burden, progression, and treatment effects. INTRODUCTION Alzheimer's disease (AD) has a progressive preclinical phase that begins many years before the onset of clinical symptoms.

While generative models have recently become ubiquitous in many scientific areas, less attention has been paid to their evaluation. For molecular generative models, the state-of-the-art examines their output in isolation or in relation to its input. However, their biological and functional properties, such as ligand-target interaction is not being addressed. In this study, a novel biologically-inspired benchmark for the evaluation of molecular generative models is proposed. Specifically, three diverse reference datasets are designed and a set of metrics are introduced which are directly relevant to the drug discovery process. In particular we propose a recreation metric, apply drug-target affinity prediction and molecular docking as complementary techniques for the evaluation of generative outputs. While all three metrics show consistent results across the tested generative models, a more detailed comparison of drug-target affinity binding and molecular docking scores revealed that unimodal predictiors can lead to erroneous conclusions about target binding on a molecular level and a multi-modal approach is thus preferrable. The key advantage of this framework is that it incorporates prior physico-chemical domain knowledge into the benchmarking process by focusing explicitly on ligand-target interactions and thus creating a highly efficient tool not only for evaluating molecular generative outputs in particular, but also for enriching the drug discovery process in general.

The problem of inferring object shape from a single 2D image is underconstrained. Prior knowledge about what objects are plausible can help, but even given such prior knowledge there may still be uncertainty about the shapes of occluded parts of objects. Recently, conditional neural radiance field (NeRF) models have been developed that can learn to infer good point estimates of 3D models from single 2D images. The problem of inferring uncertainty estimates for these models has received less attention. In this work, we propose probabilistic NeRF (ProbNeRF), a model and inference strategy for learning probabilistic generative models of 3D objects' shapes and appearances, and for doing posterior inference to recover those properties from 2D images. ProbNeRF is trained as a variational autoencoder, but at test time we use Hamiltonian Monte Carlo (HMC) for inference. Given one or a few 2D images of an object (which may be partially occluded), ProbNeRF is able not only to accurately model the parts it sees, but also to propose realistic and diverse hypotheses about the parts it does not see. We show that key to the success of ProbNeRF are (i) a deterministic rendering scheme, (ii) an annealed-HMC strategy, (iii) a hypernetwork-based decoder architecture, and (iv) doing inference over a full set of NeRF weights, rather than just a low-dimensional code.

Multimodal electronic health record (EHR) data are widely used in clinical applications. Conventional methods usually assume that each sample (patient) is associated with the unified observed modalities, and all modalities are available for each sample. However, missing modality caused by various clinical and social reasons is a common issue in real-world clinical scenarios. Existing methods mostly rely on solving a generative model that learns a mapping from the latent space to the original input space, which is an unstable ill-posed inverse problem. To relieve the underdetermined system, we propose a model solving a direct problem, dubbed learning with Missing Modalities in Multimodal healthcare data (M3Care). M3Care is an end-to-end model compensating the missing information of the patients with missing modalities to perform clinical analysis. Instead of generating raw missing data, M3Care imputes the task-related information of the missing modalities in the latent space by the auxiliary information from each patient's similar neighbors, measured by a task-guided modality-adaptive similarity metric, and thence conducts the clinical tasks. The task-guided modality-adaptive similarity metric utilizes the uncensored modalities of the patient and the other patients who also have the same uncensored modalities to find similar patients. Experiments on real-world datasets show that M3Care outperforms the state-of-the-art baselines. Moreover, the findings discovered by M3Care are consistent with experts and medical knowledge, demonstrating the capability and the potential of providing useful insights and explanations.

Testing Machine Learning (ML) models and AI-Infused Applications (AIIAs), or systems that contain ML models, is highly challenging. In addition to the challenges of testing classical software, it is acceptable and expected that statistical ML models sometimes output incorrect results. A major challenge is to determine when the level of incorrectness, e.g., model accuracy or F1 score for classifiers, is acceptable and when it is not. In addition to business requirements that should provide a threshold, it is a best practice to require any proposed ML solution to out-perform simple baseline models, such as a decision tree. We have developed complexity measures, which quantify how difficult given observations are to assign to their true class label; these measures can then be used to automatically determine a baseline performance threshold. These measures are superior to the best practice baseline in that, for a linear computation cost, they also quantify each observation' classification complexity in an explainable form, regardless of the classifier model used. Our experiments with both numeric synthetic data and real natural language chatbot data demonstrate that the complexity measures effectively highlight data regions and observations that are likely to be misclassified.

The ability to identify influential training examples enables us to debug training data and explain model behavior. Existing techniques to do so are based on the flow of training data influence through the model parameters. For large models in NLP applications, it is often computationally infeasible to study this flow through all model parameters, therefore techniques usually pick the last layer of weights. However, we observe that since the activation connected to the last layer of weights contains "shared logic", the data influenced calculated via the last layer weights prone to a ``cancellation effect'', where the data influence of different examples have large magnitude that contradicts each other. The cancellation effect lowers the discriminative power of the influence score, and deleting influential examples according to this measure often does not change the model's behavior by much. To mitigate this, we propose a technique called TracIn-WE that modifies a method called TracIn to operate on the word embedding layer instead of the last layer, where the cancellation effect is less severe. One potential concern is that influence based on the word embedding layer may not encode sufficient high level information. However, we find that gradients (unlike embeddings) do not suffer from this, possibly because they chain through higher layers. We show that TracIn-WE significantly outperforms other data influence methods applied on the last layer significantly on the case deletion evaluation on three language classification tasks for different models. In addition, TracIn-WE can produce scores not just at the level of the overall training input, but also at the level of words within the training input, a further aid in debugging.

We develop a novel data-driven nonlinear mixup mechanism for graph data augmentation and present different mixup functions for sample pairs and their labels. Mixup is a data augmentation method to create new training data by linearly interpolating between pairs of data samples and their labels. Mixup of graph data is challenging since the interpolation between graphs of potentially different sizes is an ill-posed operation. Hence, a promising approach for graph mixup is to first project the graphs onto a common latent feature space and then explore linear and nonlinear mixup strategies in this latent space. In this context, we propose to (i) project graphs onto the latent space of continuous random graph models known as graphons, (ii) leverage convex clustering in this latent space to generate nonlinear data-driven mixup functions, and (iii) investigate the use of different mixup functions for labels and data samples. We evaluate our graph data augmentation performance on benchmark datasets and demonstrate that nonlinear data-driven mixup functions can significantly improve graph classification.

The stochastic mirror descent (SMD) algorithm is a general class of training algorithms, which includes the celebrated stochastic gradient descent (SGD), as a special case. It utilizes a mirror potential to influence the implicit bias of the training algorithm. In this paper we explore the performance of the SMD iterates on mean-field ensemble models. Our results generalize earlier ones obtained for SGD on such models. The evolution of the distribution of parameters is mapped to a continuous time process in the space of probability distributions. Our main result gives a nonlinear partial differential equation to which the continuous time process converges in the asymptotic regime of large networks. The impact of the mirror potential appears through a multiplicative term that is equal to the inverse of its Hessian and which can be interpreted as defining a gradient flow over an appropriately defined Riemannian manifold. We provide numerical simulations which allow us to study and characterize the effect of the mirror potential on the performance of networks trained with SMD for some binary classification problems.

Neurons can code for multiple variables simultaneously and neuroscientists are often interested in classifying neurons based on their receptive field properties. Statistical models provide powerful tools for determining the factors influencing neural spiking activity and classifying individual neurons. However, as neural recording technologies have advanced to produce simultaneous spiking data from massive populations, classical statistical methods often lack the computational efficiency required to handle such data. Machine learning (ML) approaches are known for enabling efficient large scale data analyses; however, they typically require massive training sets with balanced data, along with accurate labels to fit well. Additionally, model assessment and interpretation are often more challenging for ML than for classical statistical methods. To address these challenges, we develop an integrated framework, combining statistical modeling and machine learning approaches to identify the coding properties of neurons from large populations. In order to demonstrate this framework, we apply these methods to data from a population of neurons recorded from rat hippocampus to characterize the distribution of spatial receptive fields in this region.