While time series classification and forecasting problems have been extensively studied, the cases of noisy time series data with arbitrary time sequence lengths have remained challenging. Each time series instance can be thought of as a sample realization of a noisy dynamical model, which is characterized by a continuous stochastic process. For many applications, the data are mixed and consist of several types of noisy time series sequences modeled by multiple stochastic processes, making the forecasting and classification tasks even more challenging. Instead of regressing data naively and individually to each time series type, we take a latent variable model approach using a mixtured Gaussian processes with learned spectral kernels. More specifically, we auto-assign each type of noisy time series data a signature vector called its motion code. Then, conditioned on each assigned motion code, we infer a sparse approximation of the corresponding time series using the concept of the most informative timestamps. Our unmixing classification approach involves maximizing the likelihood across all the mixed noisy time series sequences of varying lengths. This stochastic approach allows us to learn not only within a single type of noisy time series data but also across many underlying stochastic processes, giving us a way to learn multiple dynamical models in an integrated and robust manner. The different learned latent stochastic models allow us to generate specific sub-type forecasting. We provide several quantitative comparisons demonstrating the performance of our approach.
Healthcare data often come from multiple sites in which the correlations between confounding variables can vary widely. If deep learning models exploit these unstable correlations, they might fail catastrophically in unseen sites. Although many methods have been proposed to tackle unstable correlations, each has its limitations. For example, adversarial training forces models to completely ignore unstable correlations, but doing so may lead to poor predictive performance. Other methods (e.g. Invariant risk minimization [4]) try to learn domain-invariant representations that rely only on stable associations by assuming a causal data-generating process (input X causes class label Y ). Thus, they may be ineffective for anti-causal tasks (Y causes X), which are common in computer vision. We propose a method called CoPA (Conditional Prevalence-Adjustment) for anti-causal tasks. CoPA assumes that (1) generation mechanism is stable, i.e. label Y and confounding variable(s) Z generate X, and (2) the unstable conditional prevalence in each site E fully accounts for the unstable correlations between X and Y . Our crucial observation is that confounding variables are routinely recorded in healthcare settings and the prevalence can be readily estimated, for example, from a set of (Y, Z) samples (no need for corresponding samples of X). CoPA can work even if there is a single training site, a scenario which is often overlooked by existing methods. Our experiments on synthetic and real data show CoPA beating competitive baselines.
NLP models excel on tasks with clean inputs, but are less accurate with noisy inputs. In particular, character-level noise such as human-written typos and adversarially-engineered realistic-looking misspellings often appears in text and can easily trip up NLP models. Prior solutions to address character-level noise often alter the content of the inputs (low fidelity), thus inadvertently lowering model accuracy on clean inputs. We proposed FiRo, an approach to boost NLP model performance on noisy inputs without sacrificing performance on clean inputs. FiRo sanitizes the input text while preserving its fidelity by inferring the noise-free form for each token in the input. FiRo uses finite-context aggregation to obtain contextual embeddings which is then used to find the noise-free form within a restricted output space. The output space is restricted to a small cluster of probable candidates in order to predict the noise-free tokens more accurately. Although the clusters are small, FiRo's effective vocabulary (union of all clusters) can be scaled up to better preserve the input content. Experimental results show NLP models that use FiRo outperforming baselines on six classification tasks and one sequence labeling task at various degrees of noise.
Given sufficient pairs of resting-state and task-evoked fMRI scans from subjects, it is possible to train ML models to predict subject-specific task-evoked activity using resting-state functional MRI (rsfMRI) scans. However, while rsfMRI scans are relatively easy to collect, obtaining sufficient task fMRI scans is much harder as it involves more complex experimental designs and procedures. Thus, the reliance on scarce paired data limits the application of current techniques to only tasks seen during training. We show that this reliance can be reduced by leveraging group-average contrasts, enabling zero-shot predictions for novel tasks. Our approach, named OPIC (short for Omni-Task Prediction of Individual Contrasts), takes as input a subject's rsfMRI-derived connectome and a group-average contrast, to produce a prediction of the subject-specific contrast. Similar to zero-shot learning in large language models using special inputs to obtain answers for novel natural language processing tasks, inputting group-average contrasts guides the OPIC model to generalize to novel tasks unseen in training. Experimental results show that OPIC's predictions for novel tasks are not only better than simple group-averages, but are also competitive with a state-of-the-art model's in-domain predictions that was trained using in-domain tasks' data.
Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.
Protein structure prediction is a fundamental problem in computational molecular biology. Classical algorithms such as ab-initio or threading as well as many learning methods have been proposed to solve this challenging problem. However, most reinforcement learning methods tend to model the state-action pairs as discrete objects. In this paper, we develop a reinforcement learning (RL) framework in a continuous setting and based on a stochastic parametrized Hamiltonian version of the Pontryagin maximum principle (PMP) to solve the side-chain packing and protein-folding problem. For special cases our formulation can be reduced to previous work where the optimal folding trajectories are trained using an explicit use of Langevin dynamics. Optimal continuous stochastic Hamiltonian dynamics folding pathways can be derived with use of different models of molecular energetics and force fields. In our RL implementation we adopt a soft actor-critic methodology however we can replace this other RL training based on A2C, A3C or PPO.
Computed tomography has propelled scientific advances in fields from biology to materials science. This technology allows for the elucidation of 3-dimensional internal structure by the attenuation of x-rays through an object at different rotations relative to the beam. By imaging 2-dimensional projections, a 3-dimensional object can be reconstructed through a computational algorithm. Imaging at a greater number of rotation angles allows for improved reconstruction. However, taking more measurements increases the x-ray dose and may cause sample damage. Deep neural networks have been used to transform sparse 2-D projection measurements to a 3-D reconstruction by training on a dataset of known similar objects. However, obtaining high-quality object reconstructions for the training dataset requires high x-ray dose measurements that can destroy or alter the specimen before imaging is complete. This becomes a chicken-and-egg problem: high-quality reconstructions cannot be generated without deep learning, and the deep neural network cannot be learned without the reconstructions. This work develops and validates a self-supervised probabilistic deep learning technique, the physics-informed variational autoencoder, to solve this problem. A dataset consisting solely of sparse projection measurements from each object is used to jointly reconstruct all objects of the set. This approach has the potential to allow visualization of fragile samples with x-ray computed tomography. We release our code for reproducing our results at: https://github.com/vganapati/CT_PVAE .
We introduce MTet, the largest publicly available parallel corpus for English-Vietnamese translation. MTet consists of 4.2M high-quality training sentence pairs and a multi-domain test set refined by the Vietnamese research community. Combining with previous works on English-Vietnamese translation, we grow the existing parallel dataset to 6.2M sentence pairs. We also release the first pretrained model EnViT5 for English and Vietnamese languages. Combining both resources, our model significantly outperforms previous state-of-the-art results by up to 2 points in translation BLEU score, while being 1.6 times smaller.
The Granger framework is widely used for discovering causal relationships based on time-varying signals. Implementations of Granger causality (GC) are mostly developed for densely sampled timeseries data. A substantially different setting, particularly common in population health applications, is the longitudinal study design, where multiple individuals are followed and sparsely observed for a limited number of times. Longitudinal studies commonly track many variables, which are likely governed by nonlinear dynamics that might have individual-specific idiosyncrasies and exhibit both direct and indirect causes. Furthermore, real-world longitudinal data often suffer from widespread missingness. GC methods are not well-suited to handle these issues. In this paper, we intend to fill this methodological gap. We propose to marry the GC framework with a machine learning based prediction model. We call our approach GLACIAL, which stands for "Granger and LeArning-based CausalIty Analysis for Longitudinal studies." GLACIAL treats individuals as independent samples and uses average prediction accuracy on hold-out individuals to test for effects of causal relationships. GLACIAL employs a multi-task neural network trained with input feature dropout to efficiently learn nonlinear dynamic relationships between a large number of variables, handle missing values, and probe causal links. Extensive experiments on synthetic and real data demonstrate the utility of GLACIAL and how it can outperform competitive baselines.