Victor Lee

Adam Rupe, Nalini Kumar, Vladislav Epifanov et al.

Extracting actionable insight from complex unlabeled scientific data is an open challenge and key to unlocking data-driven discovery in science. Complementary and alternative to supervised machine learning approaches, unsupervised physics-based methods based on behavior-driven theories hold great promise. Due to computational limitations, practical application on real-world domain science problems has lagged far behind theoretical development. We present our first step towards bridging this divide - DisCo - a high-performance distributed workflow for the behavior-driven local causal state theory. DisCo provides a scalable unsupervised physics-based representation learning method that decomposes spatiotemporal systems into their structurally relevant components, which are captured by the latent local causal state variables. Complex spatiotemporal systems are generally highly structured and organize around a lower-dimensional skeleton of coherent structures, and in several firsts we demonstrate the efficacy of DisCo in capturing such structures from observational and simulated scientific data. To the best of our knowledge, DisCo is also the first application software developed entirely in Python to scale to over 1000 machine nodes, providing good performance along with ensuring domain scientists' productivity. We developed scalable, performant methods optimized for Intel many-core processors that will be upstreamed to open-source Python library packages. Our capstone experiment, using newly developed DisCo workflow and libraries, performs unsupervised spacetime segmentation analysis of CAM5.1 climate simulation data, processing an unprecedented 89.5 TB in 6.6 minutes end-to-end using 1024 Intel Haswell nodes on the Cori supercomputer obtaining 91% weak-scaling and 64% strong-scaling efficiency.

Kecheng Chen, Xinyu Luo, Tiexin Qin et al.

Foundation medical segmentation models, with MedSAM being the most popular, have achieved promising performance across organs and lesions. However, MedSAM still suffers from compromised performance on specific lesions with intricate structures and appearance, as well as bounding box prompt-induced perturbations. Although current test-time adaptation (TTA) methods for medical image segmentation may tackle this issue, partial (e.g., batch normalization) or whole parametric updates restrict their effectiveness due to limited update signals or catastrophic forgetting in large models. Meanwhile, these approaches ignore the computational complexity during adaptation, which is particularly significant for modern foundation models. To this end, our theoretical analyses reveal that directly refining image embeddings is feasible to approach the same goal as parametric updates under the MedSAM architecture, which enables us to realize high computational efficiency and segmentation performance without the risk of catastrophic forgetting. Under this framework, we propose to encourage maximizing factorized conditional probabilities of the posterior prediction probability using a proposed distribution-approximated latent conditional random field loss combined with an entropy minimization loss. Experiments show that we achieve about 3\% Dice score improvements across three datasets while reducing computational complexity by over 7 times.

Adam Rupe, Karthik Kashinath, Nalini Kumar et al.

Extreme weather is one of the main mechanisms through which climate change will directly impact human society. Coping with such change as a global community requires markedly improved understanding of how global warming drives extreme weather events. While alternative climate scenarios can be simulated using sophisticated models, identifying extreme weather events in these simulations requires automation due to the vast amounts of complex high-dimensional data produced. Atmospheric dynamics, and hydrodynamic flows more generally, are highly structured and largely organize around a lower dimensional skeleton of coherent structures. Indeed, extreme weather events are a special case of more general hydrodynamic coherent structures. We present a scalable physics-based representation learning method that decomposes spatiotemporal systems into their structurally relevant components, which are captured by latent variables known as local causal states. For complex fluid flows we show our method is capable of capturing known coherent structures, and with promising segmentation results on CAM5.1 water vapor data we outline the path to extreme weather identification from unlabeled climate model simulation data.

Atılım Güneş Baydin, Lukas Heinrich, Wahid Bhimji et al.

We present a novel probabilistic programming framework that couples directly to existing large-scale simulators through a cross-platform probabilistic execution protocol, which allows general-purpose inference engines to record and control random number draws within simulators in a language-agnostic way. The execution of existing simulators as probabilistic programs enables highly interpretable posterior inference in the structured model defined by the simulator code base. We demonstrate the technique in particle physics, on a scientifically accurate simulation of the tau lepton decay, which is a key ingredient in establishing the properties of the Higgs boson. Inference efficiency is achieved via inference compilation where a deep recurrent neural network is trained to parameterize proposal distributions and control the stochastic simulator in a sequential importance sampling scheme, at a fraction of the computational cost of a Markov chain Monte Carlo baseline.