The results of the Anomalous Diffusion Challenge (AnDi Challenge) have shown that machine learning methods can outperform classical statistical methodology at the characterization of anomalous diffusion in both the inference of the anomalous diffusion exponent alpha associated with each trajectory (Task 1), and the determination of the underlying diffusive regime which produced such trajectories (Task 2). Furthermore, of the five teams that finished in the top three across both tasks of the AnDi challenge, three of those teams used recurrent neural networks (RNNs). While RNNs, like the long short-term memory (LSTM) network, are effective at learning long-term dependencies in sequential data, their key disadvantage is that they must be trained sequentially. In order to facilitate training with larger data sets, by training in parallel, we propose a new transformer based neural network architecture for the characterization of anomalous diffusion. Our new architecture, the Convolutional Transformer (ConvTransformer) uses a bi-layered convolutional neural network to extract features from our diffusive trajectories that can be thought of as being words in a sentence. These features are then fed to two transformer encoding blocks that perform either regression or classification. To our knowledge, this is the first time transformers have been used for characterizing anomalous diffusion. Moreover, this may be the first time that a transformer encoding block has been used with a convolutional neural network and without the need for a transformer decoding block or positional encoding. Apart from being able to train in parallel, we show that the ConvTransformer is able to outperform the previous state of the art at determining the underlying diffusive regime in short trajectories (length 10-50 steps), which are the most important for experimental researchers.

The study of the dynamics of natural and artificial systems has provided several examples of deviations from Brownian behavior, generally defined as anomalous diffusion. The investigation of these dynamics can provide a better understanding of diffusing objects and their surrounding media, but a quantitative characterization from individual trajectories is often challenging. Efforts devoted to improving anomalous diffusion detection using classical statistics and machine learning have produced several new methods. Recently, the anomalous diffusion challenge (AnDi, https://www.andi-challenge.org) was launched to objectively assess these approaches on a common dataset, focusing on three aspects of anomalous diffusion: the inference of the anomalous diffusion exponent; the classification of the diffusion model; and the segmentation of trajectories. In this article, I describe a simple approach to tackle the tasks of the AnDi challenge by combining extreme learning machine and feature engineering (AnDi-ELM). The method reaches satisfactory performance while offering a straightforward implementation and fast training time with limited computing resources, making a suitable tool for fast preliminary screening.