Mechanistic PDE Networks for Discovery of Governing Equations

We present Mechanistic PDE Networks -- a model for discovery of governing partial differential equations from data. Mechanistic PDE Networks represent spatiotemporal data as space-time dependent linear partial differential equations in neural network hidden representations. The represented PDEs are then solved and decoded for specific tasks. The learned PDE representations naturally express the spatiotemporal dynamics in data in neural network hidden space, enabling increased power for dynamical modeling. Solving the PDE representations in a compute and memory-efficient way, however, is a significant challenge. We develop a native, GPU-capable, parallel, sparse, and differentiable multigrid solver specialized for linear partial differential equations that acts as a module in Mechanistic PDE Networks. Leveraging the PDE solver, we propose a discovery architecture that can discover nonlinear PDEs in complex settings while also being robust to noise. We validate PDE discovery on a number of PDEs, including reaction-diffusion and Navier-Stokes equations.

Distributional Vision-Language Alignment by Cauchy-Schwarz Divergence

Multimodal alignment is crucial for various downstream tasks such as cross-modal generation and retrieval. Previous multimodal approaches like CLIP maximize the mutual information mainly by aligning pairwise samples across modalities while overlooking the distributional differences, leading to suboptimal alignment with modality gaps. In this paper, to overcome the limitation, we propose CS-Aligner, a novel and straightforward framework that performs distributional vision-language alignment by integrating Cauchy-Schwarz (CS) divergence with mutual information. In the proposed framework, we find that the CS divergence and mutual information serve complementary roles in multimodal alignment, capturing both the global distribution information of each modality and the pairwise semantic relationships, yielding tighter and more precise alignment. Moreover, CS-Aligher enables incorporating additional information from unpaired data and token-level representations, enhancing flexible and fine-grained alignment in practice. Experiments on text-to-image generation and cross-modality retrieval tasks demonstrate the effectiveness of our method on vision-language alignment.

Geometric Neural Process Fields

This paper addresses the challenge of Neural Field (NeF) generalization, where models must efficiently adapt to new signals given only a few observations. To tackle this, we propose Geometric Neural Process Fields (G-NPF), a probabilistic framework for neural radiance fields that explicitly captures uncertainty. We formulate NeF generalization as a probabilistic problem, enabling direct inference of NeF function distributions from limited context observations. To incorporate structural inductive biases, we introduce a set of geometric bases that encode spatial structure and facilitate the inference of NeF function distributions. Building on these bases, we design a hierarchical latent variable model, allowing G-NPF to integrate structural information across multiple spatial levels and effectively parameterize INR functions. This hierarchical approach improves generalization to novel scenes and unseen signals. Experiments on novel-view synthesis for 3D scenes, as well as 2D image and 1D signal regression, demonstrate the effectiveness of our method in capturing uncertainty and leveraging structural information for improved generalization.

ECTIL: Label-efficient Computational Tumour Infiltrating Lymphocyte (TIL) assessment in breast cancer: Multicentre validation in 2,340 patients with breast cancer

The level of tumour-infiltrating lymphocytes (TILs) is a prognostic factor for patients with (triple-negative) breast cancer (BC). Computational TIL assessment (CTA) has the potential to assist pathologists in this labour-intensive task, but current CTA models rely heavily on many detailed annotations. We propose and validate a fundamentally simpler deep learning based CTA that can be trained in only ten minutes on hundredfold fewer pathologist annotations. We collected whole slide images (WSIs) with TILs scores and clinical data of 2,340 patients with BC from six cohorts including three randomised clinical trials. Morphological features were extracted from whole slide images (WSIs) using a pathology foundation model. Our label-efficient Computational stromal TIL assessment model (ECTIL) directly regresses the TILs score from these features. ECTIL trained on only a few hundred samples (ECTIL-TCGA) showed concordance with the pathologist over five heterogeneous external cohorts (r=0.54-0.74, AUROC=0.80-0.94). Training on all slides of five cohorts (ECTIL-combined) improved results on a held-out test set (r=0.69, AUROC=0.85). Multivariable Cox regression analyses indicated that every 10% increase of ECTIL scores was associated with improved overall survival independent of clinicopathological variables (HR 0.86, p<0.01), similar to the pathologist score (HR 0.87, p<0.001). We demonstrate that ECTIL is highly concordant with an expert pathologist and obtains a similar hazard ratio. ECTIL has a fundamentally simpler design than existing methods and can be trained on orders of magnitude fewer annotations. Such a CTA may be used to pre-screen patients for, e.g., immunotherapy clinical trial inclusion, or as a tool to assist clinicians in the diagnostic work-up of patients with BC. Our model is available under an open source licence (https://github.com/nki-ai/ectil).

Dream to Manipulate: Compositional World Models Empowering Robot Imitation Learning with Imagination

A world model provides an agent with a representation of its environment, enabling it to predict the causal consequences of its actions. Current world models typically cannot directly and explicitly imitate the actual environment in front of a robot, often resulting in unrealistic behaviors and hallucinations that make them unsuitable for real-world applications. In this paper, we introduce a new paradigm for constructing world models that are explicit representations of the real world and its dynamics. By integrating cutting-edge advances in real-time photorealism with Gaussian Splatting and physics simulators, we propose the first compositional manipulation world model, which we call DreMa. DreMa replicates the observed world and its dynamics, allowing it to imagine novel configurations of objects and predict the future consequences of robot actions. We leverage this capability to generate new data for imitation learning by applying equivariant transformations to a small set of demonstrations. Our evaluations across various settings demonstrate significant improvements in both accuracy and robustness by incrementing actions and object distributions, reducing the data needed to learn a policy and improving the generalization of the agents. As a highlight, we show that a real Franka Emika Panda robot, powered by DreMa's imagination, can successfully learn novel physical tasks from just a single example per task variation (one-shot policy learning). Our project page and source code can be found in https://leobarcellona.github.io/DreamToManipulate/

Redefining Normal: A Novel Object-Level Approach for Multi-Object Novelty Detection

In the realm of novelty detection, accurately identifying outliers in data without specific class information poses a significant challenge. While current methods excel in single-object scenarios, they struggle with multi-object situations due to their focus on individual objects. Our paper suggests a novel approach: redefining `normal' at the object level in training datasets. Rather than the usual image-level view, we consider the most dominant object in a dataset as the norm, offering a perspective that is more effective for real-world scenarios. Adapting to our object-level definition of `normal', we modify knowledge distillation frameworks, where a student network learns from a pre-trained teacher network. Our first contribution, DeFeND(Dense Feature Fine-tuning on Normal Data), integrates dense feature fine-tuning into the distillation process, allowing the teacher network to focus on object-level features with a self-supervised loss. The second is masked knowledge distillation, where the student network works with partially hidden inputs, honing its ability to deduce and generalize from incomplete data. This approach not only fares well in single-object novelty detection but also considerably surpasses existing methods in multi-object contexts. The implementation is available at: https://github.com/SMSD75/Redefining_Normal_ACCV24/tree/main

From MLP to NeoMLP: Leveraging Self-Attention for Neural Fields

Neural fields (NeFs) have recently emerged as a state-of-the-art method for encoding spatio-temporal signals of various modalities. Despite the success of NeFs in reconstructing individual signals, their use as representations in downstream tasks, such as classification or segmentation, is hindered by the complexity of the parameter space and its underlying symmetries, in addition to the lack of powerful and scalable conditioning mechanisms. In this work, we draw inspiration from the principles of connectionism to design a new architecture based on MLPs, which we term NeoMLP. We start from an MLP, viewed as a graph, and transform it from a multi-partite graph to a complete graph of input, hidden, and output nodes, equipped with high-dimensional features. We perform message passing on this graph and employ weight-sharing via self-attention among all the nodes. NeoMLP has a built-in mechanism for conditioning through the hidden and output nodes, which function as a set of latent codes, and as such, NeoMLP can be used straightforwardly as a conditional neural field. We demonstrate the effectiveness of our method by fitting high-resolution signals, including multi-modal audio-visual data. Furthermore, we fit datasets of neural representations, by learning instance-specific sets of latent codes using a single backbone architecture, and then use them for downstream tasks, outperforming recent state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neomlp.

Any-Resolution AI-Generated Image Detection by Spectral Learning

Recent works have established that AI models introduce spectral artifacts into generated images and propose approaches for learning to capture them using labeled data. However, the significant differences in such artifacts among different generative models hinder these approaches from generalizing to generators not seen during training. In this work, we build upon the key idea that the spectral distribution of real images constitutes both an invariant and highly discriminative pattern for AI-generated image detection. To model this under a self-supervised setup, we employ masked spectral learning using the pretext task of frequency reconstruction. Since generated images constitute out-of-distribution samples for this model, we propose spectral reconstruction similarity to capture this divergence. Moreover, we introduce spectral context attention, which enables our approach to efficiently capture subtle spectral inconsistencies in images of any resolution. Our spectral AI-generated image detection approach (SPAI) achieves a 5.5% absolute improvement in AUC over the previous state-of-the-art across 13 recent generative approaches, while exhibiting robustness against common online perturbations.

CaPo: Cooperative Plan Optimization for Efficient Embodied Multi-Agent Cooperation

In this work, we address the cooperation problem among large language model (LLM) based embodied agents, where agents must cooperate to achieve a common goal. Previous methods often execute actions extemporaneously and incoherently, without long-term strategic and cooperative planning, leading to redundant steps, failures, and even serious repercussions in complex tasks like search-and-rescue missions where discussion and cooperative plan are crucial. To solve this issue, we propose Cooperative Plan Optimization (CaPo) to enhance the cooperation efficiency of LLM-based embodied agents. Inspired by human cooperation schemes, CaPo improves cooperation efficiency with two phases: 1) meta-plan generation, and 2) progress-adaptive meta-plan and execution. In the first phase, all agents analyze the task, discuss, and cooperatively create a meta-plan that decomposes the task into subtasks with detailed steps, ensuring a long-term strategic and coherent plan for efficient coordination. In the second phase, agents execute tasks according to the meta-plan and dynamically adjust it based on their latest progress (e.g., discovering a target object) through multi-turn discussions. This progress-based adaptation eliminates redundant actions, improving the overall cooperation efficiency of agents. Experimental results on the ThreeDworld Multi-Agent Transport and Communicative Watch-And-Help tasks demonstrate that CaPo achieves much higher task completion rate and efficiency compared with state-of-the-arts.

Language Agents Meet Causality -- Bridging LLMs and Causal World Models

Large Language Models (LLMs) have recently shown great promise in planning and reasoning applications. These tasks demand robust systems, which arguably require a causal understanding of the environment. While LLMs can acquire and reflect common sense causal knowledge from their pretraining data, this information is often incomplete, incorrect, or inapplicable to a specific environment. In contrast, causal representation learning (CRL) focuses on identifying the underlying causal structure within a given environment. We propose a framework that integrates CRLs with LLMs to enable causally-aware reasoning and planning. This framework learns a causal world model, with causal variables linked to natural language expressions. This mapping provides LLMs with a flexible interface to process and generate descriptions of actions and states in text form. Effectively, the causal world model acts as a simulator that the LLM can query and interact with. We evaluate the framework on causal inference and planning tasks across temporal scales and environmental complexities. Our experiments demonstrate the effectiveness of the approach, with the causally-aware method outperforming LLM-based reasoners, especially for longer planning horizons.