Towards the Reusability and Compositionality of Causal Representations

Causal Representation Learning (CRL) aims at identifying high-level causal factors and their relationships from high-dimensional observations, e.g., images. While most CRL works focus on learning causal representations in a single environment, in this work we instead propose a first step towards learning causal representations from temporal sequences of images that can be adapted in a new environment, or composed across multiple related environments. In particular, we introduce DECAF, a framework that detects which causal factors can be reused and which need to be adapted from previously learned causal representations. Our approach is based on the availability of intervention targets, that indicate which variables are perturbed at each time step. Experiments on three benchmark datasets show that integrating our framework with four state-of-the-art CRL approaches leads to accurate representations in a new environment with only a few samples.

How to Train Neural Field Representations: A Comprehensive Study and Benchmark

Neural fields (NeFs) have recently emerged as a versatile method for modeling signals of various modalities, including images, shapes, and scenes. Subsequently, a number of works have explored the use of NeFs as representations for downstream tasks, e.g. classifying an image based on the parameters of a NeF that has been fit to it. However, the impact of the NeF hyperparameters on their quality as downstream representation is scarcely understood and remains largely unexplored. This is in part caused by the large amount of time required to fit datasets of neural fields. In this work, we propose $\verb|fit-a-nef|$, a JAX-based library that leverages parallelization to enable fast optimization of large-scale NeF datasets, resulting in a significant speed-up. With this library, we perform a comprehensive study that investigates the effects of different hyperparameters -- including initialization, network architecture, and optimization strategies -- on fitting NeFs for downstream tasks. Our study provides valuable insights on how to train NeFs and offers guidance for optimizing their effectiveness in downstream applications. Finally, based on the proposed library and our analysis, we propose Neural Field Arena, a benchmark consisting of neural field variants of popular vision datasets, including MNIST, CIFAR, variants of ImageNet, and ShapeNetv2. Our library and the Neural Field Arena will be open-sourced to introduce standardized benchmarking and promote further research on neural fields.

PDE-Refiner: Achieving Accurate Long Rollouts with Neural PDE Solvers

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained increased interest. The practical utility of such neural PDE solvers relies on their ability to provide accurate, stable predictions over long time horizons, which is a notoriously hard problem. In this work, we present a large-scale analysis of common temporal rollout strategies, identifying the neglect of non-dominant spatial frequency information, often associated with high frequencies in PDE solutions, as the primary pitfall limiting stable, accurate rollout performance. Based on these insights, we draw inspiration from recent advances in diffusion models to introduce PDE-Refiner; a novel model class that enables more accurate modeling of all frequency components via a multistep refinement process. We validate PDE-Refiner on challenging benchmarks of complex fluid dynamics, demonstrating stable and accurate rollouts that consistently outperform state-of-the-art models, including neural, numerical, and hybrid neural-numerical architectures. We further demonstrate that PDE-Refiner greatly enhances data efficiency, since the denoising objective implicitly induces a novel form of spectral data augmentation. Finally, PDE-Refiner's connection to diffusion models enables an accurate and efficient assessment of the model's predictive uncertainty, allowing us to estimate when the surrogate becomes inaccurate.

BISCUIT: Causal Representation Learning from Binary Interactions

Identifying the causal variables of an environment and how to intervene on them is of core value in applications such as robotics and embodied AI. While an agent can commonly interact with the environment and may implicitly perturb the behavior of some of these causal variables, often the targets it affects remain unknown. In this paper, we show that causal variables can still be identified for many common setups, e.g., additive Gaussian noise models, if the agent's interactions with a causal variable can be described by an unknown binary variable. This happens when each causal variable has two different mechanisms, e.g., an observational and an interventional one. Using this identifiability result, we propose BISCUIT, a method for simultaneously learning causal variables and their corresponding binary interaction variables. On three robotic-inspired datasets, BISCUIT accurately identifies causal variables and can even be scaled to complex, realistic environments for embodied AI.

Rotating Features for Object Discovery

The binding problem in human cognition, concerning how the brain represents and connects objects within a fixed network of neural connections, remains a subject of intense debate. Most machine learning efforts addressing this issue in an unsupervised setting have focused on slot-based methods, which may be limiting due to their discrete nature and difficulty to express uncertainty. Recently, the Complex AutoEncoder was proposed as an alternative that learns continuous and distributed object-centric representations. However, it is only applicable to simple toy data. In this paper, we present Rotating Features, a generalization of complex-valued features to higher dimensions, and a new evaluation procedure for extracting objects from distributed representations. Additionally, we show the applicability of our approach to pre-trained features. Together, these advancements enable us to scale distributed object-centric representations from simple toy to real-world data. We believe this work advances a new paradigm for addressing the binding problem in machine learning and has the potential to inspire further innovation in the field.

Mesh Neural Networks for SE(3)-Equivariant Hemodynamics Estimation on the Artery Wall

Computational fluid dynamics (CFD) is a valuable asset for patient-specific cardiovascular-disease diagnosis and prognosis, but its high computational demands hamper its adoption in practice. Machine-learning methods that estimate blood flow in individual patients could accelerate or replace CFD simulation to overcome these limitations. In this work, we consider the estimation of vector-valued quantities on the wall of three-dimensional geometric artery models. We employ group-equivariant graph convolution in an end-to-end SE(3)-equivariant neural network that operates directly on triangular surface meshes and makes efficient use of training data. We run experiments on a large dataset of synthetic coronary arteries and find that our method estimates directional wall shear stress (WSS) with an approximation error of 7.6% and normalised mean absolute error (NMAE) of 0.4% while up to two orders of magnitude faster than CFD. Furthermore, we show that our method is powerful enough to accurately predict transient, vector-valued WSS over the cardiac cycle while conditioned on a range of different inflow boundary conditions. These results demonstrate the potential of our proposed method as a plugin replacement for CFD in the personalised prediction of hemodynamic vector and scalar fields.

Differentiable Mathematical Programming for Object-Centric Representation Learning

We propose topology-aware feature partitioning into $k$ disjoint partitions for given scene features as a method for object-centric representation learning. To this end, we propose to use minimum $s$-$t$ graph cuts as a partitioning method which is represented as a linear program. The method is topologically aware since it explicitly encodes neighborhood relationships in the image graph. To solve the graph cuts our solution relies on an efficient, scalable, and differentiable quadratic programming approximation. Optimizations specific to cut problems allow us to solve the quadratic programs and compute their gradients significantly more efficiently compared with the general quadratic programming approach. Our results show that our approach is scalable and outperforms existing methods on object discovery tasks with textured scenes and objects.

iCITRIS: Causal Representation Learning for Instantaneous Temporal Effects

Causal representation learning is the task of identifying the underlying causal variables and their relations from high-dimensional observations, such as images. Recent work has shown that one can reconstruct the causal variables from temporal sequences of observations under the assumption that there are no instantaneous causal relations between them. In practical applications, however, our measurement or frame rate might be slower than many of the causal effects. This effectively creates "instantaneous" effects and invalidates previous identifiability results. To address this issue, we propose iCITRIS, a causal representation learning method that can handle instantaneous effects in temporal sequences when given perfect interventions with known intervention targets. iCITRIS identifies the causal factors from temporal observations, while simultaneously using a differentiable causal discovery method to learn their causal graph. In experiments on three video datasets, iCITRIS accurately identifies the causal factors and their causal graph.

Complex-Valued Autoencoders for Object Discovery

Object-centric representations form the basis of human perception and enable us to reason about the world and to systematically generalize to new settings. Currently, most machine learning work on unsupervised object discovery focuses on slot-based approaches, which explicitly separate the latent representations of individual objects. While the result is easily interpretable, it usually requires the design of involved architectures. In contrast to this, we propose a distributed approach to object-centric representations: the Complex AutoEncoder. Following a coding scheme theorized to underlie object representations in biological neurons, its complex-valued activations represent two messages: their magnitudes express the presence of a feature, while the relative phase differences between neurons express which features should be bound together to create joint object representations. We show that this simple and efficient approach achieves better reconstruction performance than an equivalent real-valued autoencoder on simple multi-object datasets. Additionally, we show that it achieves competitive unsupervised object discovery performance to a SlotAttention model on two datasets, and manages to disentangle objects in a third dataset where SlotAttention fails - all while being 7-70 times faster to train.

Weakly supervised causal representation learning

Learning high-level causal representations together with a causal model from unstructured low-level data such as pixels is impossible from observational data alone. We prove under mild assumptions that this representation is identifiable in a weakly supervised setting. This requires a dataset with paired samples before and after random, unknown interventions, but no further labels. Finally, we show that we can infer the representation and causal graph reliably in a simple synthetic domain using a variational autoencoder with a structural causal model as prior.