The symbolic discovery of Ordinary Differential Equations (ODEs) from trajectory data plays a pivotal role in AI-driven scientific discovery. Existing symbolic methods predominantly rely on fixed, pre-collected training datasets, which often result in suboptimal performance, as demonstrated in our case study in Figure 1. Drawing inspiration from active learning, we investigate strategies to query informative trajectory data that can enhance the evaluation of predicted ODEs. However, the butterfly effect in dynamical systems reveals that small variations in initial conditions can lead to drastically different trajectories, necessitating the storage of vast quantities of trajectory data using conventional active learning. To address this, we introduce Active Symbolic Discovery of Ordinary Differential Equations via Phase Portrait Sketching (APPS). Instead of directly selecting individual initial conditions, our APPS first identifies an informative region within the phase space and then samples a batch of initial conditions from this region. Compared to traditional active learning methods, APPS mitigates the gap of maintaining a large amount of data. Extensive experiments demonstrate that APPS consistently discovers more accurate ODE expressions than baseline methods using passively collected datasets.

Accelerating the learning of Partial Differential Equations (PDEs) from experimental data will speed up the pace of scientific discovery. Previous randomized algorithms exploit sparsity in PDE updates for acceleration. However such methods are applicable to a limited class of decomposable PDEs, which have sparse features in the value domain. We propose Reel, which accelerates the learning of PDEs via random projection and has much broader applicability. Reel exploits the sparsity by decomposing dense updates into sparse ones in both the value and frequency domains. This decomposition enables efficient learning when the source of the updates consists of gradually changing terms across large areas (sparse in the frequency domain) in addition to a few rapid updates concentrated in a small set of “interfacial” regions (sparse in the value domain). Random projection is then applied to compress the sparse signals for learning. To expand the model applicability, Taylor series expansion is used in Reel to approximate the nonlinear PDE updates with polynomials in the decomposable form. Theoretically, we derive a constant factor approximation between the projected loss function and the original one with poly-logarithmic number of projected dimensions. Experimentally, we provide empirical evidence that our proposed Reel can lead to faster learning of PDE models (70-98% reduction in training time when the data is compressed to 1% of its original size) with comparable quality as the non-compressed models.

The availability of tera-byte scale experiment data calls for AI driven approaches which automatically discover scientific models from data. Nonetheless, significant challenges present in AI-driven scientific discovery: (i) The annotation of large scale datasets requires fundamental re-thinking in developing scalable crowdsourcing tools. (ii) The learning of scientific models from data calls for innovations beyond black-box neural nets. (iii) Novel visualization & diagnosis tools are needed for the collaboration of experimental and theoretical physicists, and computer scientists. We present Phase-Field-Lab platform for end-to-end phase field model discovery, which automatically discovers phase field physics models from experiment data, integrating experimentation, crowdsourcing, simulation and learning. Phase-Field-Lab combines (i) a streamlined annotation tool which reduces the annotation time (by ~50-75%), while increasing annotation accuracy compared to baseline; (ii) an end-to-end neural model which automatically learns phase field models from data by embedding phase field simulation and existing domain knowledge into learning; and (iii) novel interfaces and visualizations to integrate our platform into the scientific discovery cycle of domain scientists. Our platform is deployed in the analysis of nano-structure evolution in materials under extreme conditions (high temperature and irradiation). Our approach reveals new properties of nano-void defects, which otherwise cannot be detected via manual analysis.

Learning physics models in the form of Partial Differential Equations (PDEs) is carried out through back-propagation to match the simulations of the physics model with experimental observations. Nevertheless, such matching involves computation over billions of elements, presenting a significant computational overhead. We notice many PDEs in real world problems are sparse and decomposable, where the temporal updates and the spatial features are sparsely concentrated on small interface regions. We propose RAPID-PDE, an algorithm to expedite the learning of sparse and decomposable PDEs. Our RAPID-PDE first uses random projection to compress the high dimensional sparse updates and features into low dimensional representations and then use these compressed signals during learning. Crucially, such a conversion is only carried out once prior to learning and the entire learning process is conducted in the compressed space. Theoretically, we derive a constant factor approximation between the projected loss function and the original one with logarithmic number of projected dimensions. Empirically, we demonstrate RAPID-PDE with data compressed to 0.05% of its original size learns similar models compared with uncompressed algorithms in learning a set of phase-field models which govern the spatial-temporal dynamics of nano-scale structures in metallic materials.

In the context of developed countries, a considerable amount of research studies have been done to make Human-Computer Interaction (HCI) as natural and intuitive as possible for the public computing devices. Given the proliferation of public computing devices in the developing regions, a context-aware HCI design, focusing the low-literate and novice users from these regions, has the utmost importance. Taking the hygiene issue with the usage of touch-based public computing devices into account, in-air hand gestures are considered as one of the most natural forms of non-verbal interaction in this regard. In this paper, we present Duity -- a low-cost finger-count based hand gesture recognition system -- which reliably tackles the hurdle faced by novice and low-literacy populations. Exploiting the reflective property of visible light spectrum, we develop a mechanism that can reliably count fingers and thus identify different gestures. The system is fine-tuned to such an extent that varying lighting conditions and environmental setups can not perturb the accurate identification of the gestures. Our claims are supported by a user evaluation, which takes multiple scenarios into accounts, confirming the robustness, usability, and acceptability of Duity.