Daily Papers

Protein folding is the intricate process by which a linear sequence of amino acids self-assembles into a unique three-dimensional structure. Protein folding kinetics is the study of pathways and time-dependent mechanisms a protein undergoes when it folds. Understanding protein kinetics is essential as a protein needs to fold correctly for it to perform its biological functions optimally, and a misfolded protein can sometimes be contorted into shapes that are not ideal for a cellular environment giving rise to many degenerative, neuro-degenerative disorders and amyloid diseases. Monitoring at-risk individuals and detecting protein discrepancies in a protein's folding kinetics at the early stages could majorly result in public health benefits, as preventive measures can be taken. This research proposes an efficient pipeline for predicting protein folding kinetics with high accuracy and low memory footprint. The deployed machine learning (ML) model outperformed the state-of-the-art ML models by 4.8% in terms of accuracy while consuming 327x lesser memory and being 7.3% faster.

We describe the 2020 edition of the DeepMind Kinetics human action dataset, which replenishes and extends the Kinetics-700 dataset. In this new version, there are at least 700 video clips from different YouTube videos for each of the 700 classes. This paper details the changes introduced for this new release of the dataset and includes a comprehensive set of statistics as well as baseline results using the I3D network.

This paper introduces a method for realistic kinetic typography that generates user-preferred animatable 'text content'. We draw on recent advances in guided video diffusion models to achieve visually-pleasing text appearances. To do this, we first construct a kinetic typography dataset, comprising about 600K videos. Our dataset is made from a variety of combinations in 584 templates designed by professional motion graphics designers and involves changing each letter's position, glyph, and size (i.e., flying, glitches, chromatic aberration, reflecting effects, etc.). Next, we propose a video diffusion model for kinetic typography. For this, there are three requirements: aesthetic appearances, motion effects, and readable letters. This paper identifies the requirements. For this, we present static and dynamic captions used as spatial and temporal guidance of a video diffusion model, respectively. The static caption describes the overall appearance of the video, such as colors, texture and glyph which represent a shape of each letter. The dynamic caption accounts for the movements of letters and backgrounds. We add one more guidance with zero convolution to determine which text content should be visible in the video. We apply the zero convolution to the text content, and impose it on the diffusion model. Lastly, our glyph loss, only minimizing a difference between the predicted word and its ground-truth, is proposed to make the prediction letters readable. Experiments show that our model generates kinetic typography videos with legible and artistic letter motions based on text prompts.

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

We report observations of solar wind turbulence derived from measurements by the Parker Solar Probe. Our findings reveal the emergence of finite magnetic helicity within the transition range of the turbulence, aligning with signatures of kinetic Alfv\'en waves (KAWs). Notably, as the wave scale transitions from super-ion to sub-ion scales, the ratio of KAWs with opposing signs of magnetic helicity initially increases from approximately 1 to 6 before returning to 1. This observation provides, for the first time, compelling evidence for the transition from imbalanced kinetic Alfv\'enic turbulence to balanced kinetic Alfv\'enic turbulence.

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

We address effects of spin-orbit coupling (SOC), phenomenologically added to a two-component Bose-Einstein condensate composed of particles moving by Levy flights, in one- and two-dimensional (1D and 2D) settings. The corresponding system of coupled Gross-Pitaevskii equations includes fractional kinetic-energy operators, characterized by the Levy index, \alpha < 2 (the normal kinetic energy corresponds to \alpha = 2). The SOC terms, with strength \lambda, produce strong effects in the 2D case: they create families of stable solitons of the semi-vortex (SV) and mixed-mode (MM) types in the interval of 1 < \alpha < 2, where the supercritical collapse does not admit the existence of stable solitons in the absence of the SOC. At \lambda --> 0, amplitudes of these solitons vanish as (\lambda)^{1/(\alpha - 1)}.

Acid mine drainage (AMD) is one of the common environmental problems in the coal mining industry that was formed by the oxidation of sulfide minerals in the overburden or waste rock. The prediction of acid generation through AMD is important to do in overburden management and planning the post-mining land use. One of the methods used to predict AMD is a lab-scale kinetic test to determine the rate of acid formation over time using representative samples in the field. However, this test requires a long-time procedure and large amount of chemical reagents lead to inefficient cost. On the other hand, there is potential for machine learning to learn the pattern behind the lab-scale kinetic test data. This study describes an approach to use artificial neural network (ANN) modeling to predict the result from lab-scale kinetic tests. Various ANN model is used based on 83 weeks experiments of lab-scale kinetic tests with 100\% potential acid-forming rock. The model approaches the monitoring of pH, ORP, conductivity, TDS, sulfate, and heavy metals (Fe and Mn). The overall Nash-Sutcliffe Efficiency (NSE) obtained in this study was 0.99 on training and validation data, indicating a strong correlation and accurate prediction compared to the actual lab-scale kinetic tests data. This show the ANN ability to learn patterns, trends, and seasonality from past data for accurate forecasting, thereby highlighting its significant contribution to solving AMD problems. This research is also expected to establish the foundation for a new approach to predict AMD, with time efficient, accurate, and cost-effectiveness in future applications.

We present a self-supervised Contrastive Video Representation Learning (CVRL) method to learn spatiotemporal visual representations from unlabeled videos. Our representations are learned using a contrastive loss, where two augmented clips from the same short video are pulled together in the embedding space, while clips from different videos are pushed away. We study what makes for good data augmentations for video self-supervised learning and find that both spatial and temporal information are crucial. We carefully design data augmentations involving spatial and temporal cues. Concretely, we propose a temporally consistent spatial augmentation method to impose strong spatial augmentations on each frame of the video while maintaining the temporal consistency across frames. We also propose a sampling-based temporal augmentation method to avoid overly enforcing invariance on clips that are distant in time. On Kinetics-600, a linear classifier trained on the representations learned by CVRL achieves 70.4% top-1 accuracy with a 3D-ResNet-50 (R3D-50) backbone, outperforming ImageNet supervised pre-training by 15.7% and SimCLR unsupervised pre-training by 18.8% using the same inflated R3D-50. The performance of CVRL can be further improved to 72.9% with a larger R3D-152 (2x filters) backbone, significantly closing the gap between unsupervised and supervised video representation learning. Our code and models will be available at https://github.com/tensorflow/models/tree/master/official/.