Taco Cohen

FAIR CodeGen team, Jade Copet, Quentin Carbonneaux et al. · meta-ai

We release Code World Model (CWM), a 32-billion-parameter open-weights LLM, to advance research on code generation with world models. To improve code understanding beyond what can be learned from training on static code alone, we mid-train CWM on a large amount of observation-action trajectories from Python interpreter and agentic Docker environments, and perform extensive multi-task reasoning RL in verifiable coding, math, and multi-turn software engineering environments. With CWM, we provide a strong testbed for researchers to explore the opportunities world modeling affords for improving code generation with reasoning and planning in computational environments. We present first steps of how world models can benefit agentic coding, enable step-by-step simulation of Python code execution, and show early results of how reasoning can benefit from the latter. CWM is a dense, decoder-only LLM trained with a context size of up to 131k tokens. Independent of its world modeling capabilities, CWM offers strong performance on general coding and math tasks: it reaches pass@1 scores of 65.8% on SWE-bench Verified (with test-time scaling), 68.6% on LiveCodeBench, 96.6% on Math-500, and 76.0% on AIME 2024. To support further research on code world modeling, we release model checkpoints after mid-training, SFT, and RL.

Chaitanya K. Joshi, Cristian Bodnar, Simon V. Mathis et al. · cambridge

The expressive power of Graph Neural Networks (GNNs) has been studied extensively through the Weisfeiler-Leman (WL) graph isomorphism test. However, standard GNNs and the WL framework are inapplicable for geometric graphs embedded in Euclidean space, such as biomolecules, materials, and other physical systems. In this work, we propose a geometric version of the WL test (GWL) for discriminating geometric graphs while respecting the underlying physical symmetries: permutations, rotation, reflection, and translation. We use GWL to characterise the expressive power of geometric GNNs that are invariant or equivariant to physical symmetries in terms of distinguishing geometric graphs. GWL unpacks how key design choices influence geometric GNN expressivity: (1) Invariant layers have limited expressivity as they cannot distinguish one-hop identical geometric graphs; (2) Equivariant layers distinguish a larger class of graphs by propagating geometric information beyond local neighbourhoods; (3) Higher order tensors and scalarisation enable maximally powerful geometric GNNs; and (4) GWL's discrimination-based perspective is equivalent to universal approximation. Synthetic experiments supplementing our results are available at \url{https://github.com/chaitjo/geometric-gnn-dojo}

Sourya Basu, Jose Gallego-Posada, Francesco Viganò et al. · mila

Equivariance to symmetries has proven to be a powerful inductive bias in deep learning research. Recent works on mesh processing have concentrated on various kinds of natural symmetries, including translations, rotations, scaling, node permutations, and gauge transformations. To date, no existing architecture is equivariant to all of these transformations. In this paper, we present an attention-based architecture for mesh data that is provably equivariant to all transformations mentioned above. Our pipeline relies on the use of relative tangential features: a simple, effective, equivariance-friendly alternative to raw node positions as inputs. Experiments on the FAUST and TOSCA datasets confirm that our proposed architecture achieves improved performance on these benchmarks and is indeed equivariant, and therefore robust, to a wide variety of local/global transformations.

Phillip Lippe, Sara Magliacane, Sindy Löwe et al.

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 allows for instantaneous effects in intervened temporal sequences when intervention targets can be observed, e.g., as actions of an agent. iCITRIS identifies the potentially multidimensional causal variables from temporal observations, while simultaneously using a differentiable causal discovery method to learn their causal graph. In experiments on three datasets of interactive systems, iCITRIS accurately identifies the causal variables and their causal graph.

Phillip Lippe, Sara Magliacane, Sindy Löwe et al.

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.

Johann Brehmer, Joey Bose, Pim de Haan et al.

Embodied agents operate in a structured world, often solving tasks with spatial, temporal, and permutation symmetries. Most algorithms for planning and model-based reinforcement learning (MBRL) do not take this rich geometric structure into account, leading to sample inefficiency and poor generalization. We introduce the Equivariant Diffuser for Generating Interactions (EDGI), an algorithm for MBRL and planning that is equivariant with respect to the product of the spatial symmetry group SE(3), the discrete-time translation group Z, and the object permutation group Sn. EDGI follows the Diffuser framework (Janner et al., 2022) in treating both learning a world model and planning in it as a conditional generative modeling problem, training a diffusion model on an offline trajectory dataset. We introduce a new SE(3)xZxSn-equivariant diffusion model that supports multiple representations. We integrate this model in a planning loop, where conditioning and classifier guidance let us softly break the symmetry for specific tasks as needed. On object manipulation and navigation tasks, EDGI is substantially more sample efficient and generalizes better across the symmetry group than non-equivariant models.

Arash Behboodi, Gabriele Cesa, Taco Cohen

Equivariant networks capture the inductive bias about the symmetry of the learning task by building those symmetries into the model. In this paper, we study how equivariance relates to generalization error utilizing PAC Bayesian analysis for equivariant networks, where the transformation laws of feature spaces are determined by group representations. By using perturbation analysis of equivariant networks in Fourier domain for each layer, we derive norm-based PAC-Bayesian generalization bounds. The bound characterizes the impact of group size, and multiplicity and degree of irreducible representations on the generalization error and thereby provide a guideline for selecting them. In general, the bound indicates that using larger group size in the model improves the generalization error substantiated by extensive numerical experiments.

Cansu Sancaktar, David Zhang, Gabriel Synnaeve et al.

Reinforcement learning (RL) has emerged as a powerful paradigm for improving large language models beyond supervised fine-tuning, yet sustaining performance gains at scale remains an open challenge, as data diversity and structure, rather than volume alone, become the limiting factor. We address this by introducing a scalable multi-turn synthetic data generation pipeline in which a teacher model iteratively refines problems based on in-context student performance summaries, producing structured difficulty progressions without any teacher fine-tuning. Compared to single-turn generation, this multi-turn approach substantially improves the yield of valid synthetic problems and naturally produces stepping stones, i.e. easier and harder variants of the same core task, that support curriculum-based training. We systematically study how task difficulty, curriculum scheduling, and environment diversity interact during RL training across the Llama3.1-8B Instruct and Qwen3-8B Base model families, with additional scaling experiments on Qwen2.5-32B. Our results show that synthetic augmentation consistently improves in-domain code and in most cases out-of-domain math performance, and we provide empirical insights into how curriculum design and data diversity jointly shape RL training dynamics.

Taco Cohen

There exist well-developed frameworks for causal modelling, but these require rather a lot of human domain expertise to define causal variables and perform interventions. In order to enable autonomous agents to learn abstract causal models through interactive experience, the existing theoretical foundations need to be extended and clarified. Existing frameworks give no guidance regarding variable choice / representation, and more importantly, give no indication as to which behaviour policies or physical transformations of state space shall count as interventions. The framework sketched in this paper describes actions as transformations of state space, for instance induced by an agent running a policy. This makes it possible to describe in a uniform way both transformations of the micro-state space and abstract models thereof, and say when the latter is veridical / grounded / natural. We then introduce (causal) variables, define a mechanism as an invariant predictor, and say when an action can be viewed as a ``surgical intervention'', thus bringing the objective of causal representation \& intervention skill learning into clearer focus.

Kunhao Zheng, Pierre Chambon, Juliette Decugis et al.

Linear interpolation between fine-tuned checkpoints has been shown to trace the Pareto front between competing objectives, but whether extrapolative weight averaging can extend such frontiers to new checkpoints useful at inference time, without additional RL training, remains unclear. We study this question in RL for competitive programming, where hidden unit tests under time and memory limits enforce both functional correctness and computational efficiency. Starting from a shared initialization, we train checkpoints under nested unit-test coverage: low-coverage rewards require passing smaller-input tests, while high-coverage rewards require passing progressively larger tests up to the full suite. This sweep reveals the emergence of a correctness-efficiency frontier: on hard problems, higher-coverage reward reduces optimization failures but increases correctness failures, leaving solve rate nearly unchanged. Interpolation between low- and high-coverage checkpoints recovers this frontier, while extrapolation extends it beyond the trained endpoints. Both the frontier and its extrapolative continuation appear across three inference settings, pure reasoning, tool use, and agentic coding, and across two model scales, 32B and 7B. At the problem level, moving along the frontier changes which problems are solved, making extrapolated checkpoints complementary policies in inference-time scaling. Ensembles with extrapolative weight averaging broaden coverage and improve pass@250 on LCB/hard by 3.3% over the best single checkpoint at matched sample budget. These results show that nested unit-test coverage in code RL induces a frontier that extrapolative weight averaging can navigate, extend, and exploit.

Risto Vuorio, Pim de Haan, Johann Brehmer et al.

Standard imitation learning can fail when the expert demonstrators have different sensory inputs than the imitating agent. This is because partial observability gives rise to hidden confounders in the causal graph. In previous work, to work around the confounding problem, policies have been trained using query access to the expert's policy or inverse reinforcement learning (IRL). However, both approaches have drawbacks as the expert's policy may not be available and IRL can be unstable in practice. Instead, we propose to train a variational inference model to infer the expert's latent information and use it to train a latent-conditional policy. We prove that using this method, under strong assumptions, the identification of the correct imitation learning policy is theoretically possible from expert demonstrations alone. In practice, we focus on a setting with less strong assumptions where we use exploration data for learning the inference model. We show in theory and practice that this algorithm converges to the correct interventional policy, solves the confounding issue, and can under certain assumptions achieve an asymptotically optimal imitation performance.

Pim de Haan, Taco Cohen, Johann Brehmer

The Geometric Algebra Transformer (GATr) is a versatile architecture for geometric deep learning based on projective geometric algebra. We generalize this architecture into a blueprint that allows one to construct a scalable transformer architecture given any geometric (or Clifford) algebra. We study versions of this architecture for Euclidean, projective, and conformal algebras, all of which are suited to represent 3D data, and evaluate them in theory and practice. The simplest Euclidean architecture is computationally cheap, but has a smaller symmetry group and is not as sample-efficient, while the projective model is not sufficiently expressive. Both the conformal algebra and an improved version of the projective algebra define powerful, performant architectures.

Charles Arnal, Vivien Cabannes, Taco Cohen et al.

While Experience Replay - the practice of storing rollouts and reusing them multiple times during training - is a foundational technique in general RL, it remains largely unexplored in LLM post-training due to the prevailing belief that fresh, on-policy data is essential for high performance. In this work, we challenge this assumption. We present a systematic study of replay buffers for LLM post-training, formalizing the optimal design as a trade-off between staleness-induced variance, sample diversity and the high computational cost of generation. We show that strict on-policy sampling is suboptimal when generation is expensive. Empirically, we show that a well-designed replay buffer can drastically reduce inference compute without degrading - and in some cases even improving - final model performance, while preserving policy entropy.

Natasha Butt, Blazej Manczak, Auke Wiggers et al.

Large language models are increasingly solving tasks that are commonly believed to require human-level reasoning ability. However, these models still perform very poorly on benchmarks of general intelligence such as the Abstraction and Reasoning Corpus (ARC). In this paper, we approach ARC as a programming-by-examples problem, and introduce a novel and scalable method for language model self-improvement called Code Iteration (CodeIt). Our method iterates between 1) program sampling and hindsight relabeling, and 2) learning from prioritized experience replay. By relabeling the goal of an episode (i.e., the target program output given input) to the realized output produced by the sampled program, our method effectively deals with the extreme sparsity of rewards in program synthesis. Applying CodeIt to the ARC dataset, we demonstrate that prioritized hindsight replay, along with pre-training and data-augmentation, leads to successful inter-task generalization. CodeIt is the first neuro-symbolic approach that scales to the full ARC evaluation dataset. Our method solves 15% of ARC evaluation tasks, achieving state-of-the-art performance and outperforming existing neural and symbolic baselines. Our code is available at https://github.com/Qualcomm-AI-research/codeit .

Alexandre Duval, Simon V. Mathis, Chaitanya K. Joshi et al. · cambridge

Recent advances in computational modelling of atomic systems, spanning molecules, proteins, and materials, represent them as geometric graphs with atoms embedded as nodes in 3D Euclidean space. In these graphs, the geometric attributes transform according to the inherent physical symmetries of 3D atomic systems, including rotations and translations in Euclidean space, as well as node permutations. In recent years, Geometric Graph Neural Networks have emerged as the preferred machine learning architecture powering applications ranging from protein structure prediction to molecular simulations and material generation. Their specificity lies in the inductive biases they leverage - such as physical symmetries and chemical properties - to learn informative representations of these geometric graphs. In this opinionated paper, we provide a comprehensive and self-contained overview of the field of Geometric GNNs for 3D atomic systems. We cover fundamental background material and introduce a pedagogical taxonomy of Geometric GNN architectures: (1) invariant networks, (2) equivariant networks in Cartesian basis, (3) equivariant networks in spherical basis, and (4) unconstrained networks. Additionally, we outline key datasets and application areas and suggest future research directions. The objective of this work is to present a structured perspective on the field, making it accessible to newcomers and aiding practitioners in gaining an intuition for its mathematical abstractions.

Brandon M. Wood, Misko Dzamba, Xiang Fu et al. · baidu, cmu

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, Meta FAIR presents a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials, and catalysts. We develop empirical scaling laws to help understand how to increase model capacity alongside dataset size to achieve the best accuracy. The UMA small and medium models utilize a novel architectural design we refer to as mixture of linear experts that enables increasing model capacity without sacrificing speed. For example, UMA-medium has 1.4B parameters but only ~50M active parameters per atomic structure. We evaluate UMA models on a diverse set of applications across multiple domains and find that, remarkably, a single model without any fine-tuning can perform similarly or better than specialized models. We are releasing the UMA code, weights, and associated data to accelerate computational workflows and enable the community to continue to build increasingly capable AI models.

Johann Brehmer, Sönke Behrends, Pim de Haan et al.

Given large datasets and sufficient compute, is it beneficial to design neural architectures for the structure and symmetries of each problem? Or is it more efficient to learn them from data? We study empirically how equivariant and non-equivariant networks scale with compute and training samples. Focusing on a benchmark problem of rigid-body interactions and on general-purpose transformer architectures, we perform a series of experiments, varying the model size, training steps, and dataset size. We find evidence for three conclusions. First, equivariance improves data efficiency, but training non-equivariant models with data augmentation can close this gap given sufficient epochs. Second, scaling with compute follows a power law, with equivariant models outperforming non-equivariant ones at each tested compute budget. Finally, the optimal allocation of a compute budget onto model size and training duration differs between equivariant and non-equivariant models.

Yunhao Tang, Taco Cohen, David W. Zhang et al.

We introduce a novel reinforcement learning algorithm (AGRO, for Any-Generation Reward Optimization) for fine-tuning large-language models. AGRO leverages the concept of generation consistency, which states that the optimal policy satisfies the notion of consistency across any possible generation of the model. We derive algorithms that find optimal solutions via the sample-based policy gradient and provide theoretical guarantees on their convergence. Our experiments demonstrate the effectiveness of AGRO in both on-policy and off-policy settings, showing improved performance on the mathematical reasoning dataset over baseline algorithms.

Taco Cohen, David W. Zhang, Kunhao Zheng et al.

RL-based post-training of language models is almost exclusively done using on-policy methods such as PPO. These methods cannot learn from arbitrary sequences such as those produced earlier in training, in earlier runs, by human experts or other policies, or by decoding and exploration methods. This results in severe sample inefficiency and exploration difficulties, as well as a potential loss of diversity in the policy responses. Moreover, asynchronous PPO implementations require frequent and costly model transfers, and typically use value models which require a large amount of memory. In this paper we introduce Soft Policy Optimization (SPO), a simple, scalable and principled Soft RL method for sequence model policies that can learn from arbitrary online and offline trajectories and does not require a separate value model. In experiments on code contests, we shows that SPO outperforms PPO on pass@10, is significantly faster and more memory efficient, is able to benefit from off-policy data, enjoys improved stability, and learns more diverse (i.e. soft) policies.

Ekdeep Singh Lubana, Johann Brehmer, Pim de Haan et al.

We explore the viability of casting foundation models as generic reward functions for reinforcement learning. To this end, we propose a simple pipeline that interfaces an off-the-shelf vision model with a large language model. Specifically, given a trajectory of observations, we infer the likelihood of an instruction describing the task that the user wants an agent to perform. We show that this generic likelihood function exhibits the characteristics ideally expected from a reward function: it associates high values with the desired behaviour and lower values for several similar, but incorrect policies. Overall, our work opens the possibility of designing open-ended agents for interactive tasks via foundation models.

Ori Yoran, Kunhao Zheng, Fabian Gloeckle et al.

Compression is at the heart of intelligence. A theoretically optimal way to compress any sequence of data is to find the shortest program that outputs that sequence and then halts. However, such 'Kolmogorov compression' is uncomputable, and code generating LLMs struggle to approximate this theoretical ideal, as it requires reasoning, planning and search capabilities beyond those of current models. In this work, we introduce the KoLMogorov-Test (KT), a compression-as-intelligence test for code generating LLMs. In KT a model is presented with a sequence of data at inference time, and asked to generate the shortest program that produces the sequence. We identify several benefits of KT for both evaluation and training: an essentially infinite number of problem instances of varying difficulty is readily available, strong baselines already exist, the evaluation metric (compression) cannot be gamed, and pretraining data contamination is highly unlikely. To evaluate current models, we use audio, text, and DNA data, as well as sequences produced by random synthetic programs. Current flagship models perform poorly - both GPT4-o and Llama-3.1-405B struggle on our natural and synthetic sequences. On our synthetic distribution, we are able to train code generation models with lower compression rates than previous approaches. Moreover, we show that gains on synthetic data generalize poorly to real data, suggesting that new innovations are necessary for additional gains on KT.

Alexis Audran-Reiss, Jordi Armengol Estapé, Karen Hambardzumyan et al.

AI research agents offer the promise to accelerate scientific progress by automating the design, implementation, and training of machine learning models. However, the field is still in its infancy, and the key factors driving the success or failure of agent trajectories are not fully understood. We examine the role that ideation diversity plays in agent performance. First, we analyse agent trajectories on MLE-bench, a well-known benchmark to evaluate AI research agents, across different models and agent scaffolds. Our analysis reveals that different models and agent scaffolds yield varying degrees of ideation diversity, and that higher-performing agents tend to have increased ideation diversity. Further, we run a controlled experiment where we modify the degree of ideation diversity, demonstrating that higher ideation diversity results in stronger performance. Finally, we strengthen our results by examining additional evaluation metrics beyond the standard medal-based scoring of MLE-bench, showing that our findings still hold across other agent performance metrics.

Pietro Mazzaglia, Taco Cohen, Daniel Dijkman

Robotic affordances, providing information about what actions can be taken in a given situation, can aid robotic manipulation. However, learning about affordances requires expensive large annotated datasets of interactions or demonstrations. In this work, we argue that well-directed interactions with the environment can mitigate this problem and propose an information-based measure to augment the agent's objective and accelerate the affordance discovery process. We provide a theoretical justification of our approach and we empirically validate the approach both in simulation and real-world tasks. Our method, which we dub IDA, enables the efficient discovery of visual affordances for several action primitives, such as grasping, stacking objects, or opening drawers, strongly improving data efficiency in simulation, and it allows us to learn grasping affordances in a small number of interactions, on a real-world setup with a UFACTORY XArm 6 robot arm.

Johann Brehmer, Pim de Haan, Sönke Behrends et al.

Problems involving geometric data arise in physics, chemistry, robotics, computer vision, and many other fields. Such data can take numerous forms, for instance points, direction vectors, translations, or rotations, but to date there is no single architecture that can be applied to such a wide variety of geometric types while respecting their symmetries. In this paper we introduce the Geometric Algebra Transformer (GATr), a general-purpose architecture for geometric data. GATr represents inputs, outputs, and hidden states in the projective geometric (or Clifford) algebra, which offers an efficient 16-dimensional vector-space representation of common geometric objects as well as operators acting on them. GATr is equivariant with respect to E(3), the symmetry group of 3D Euclidean space. As a Transformer, GATr is versatile, efficient, and scalable. We demonstrate GATr in problems from n-body modeling to wall-shear-stress estimation on large arterial meshes to robotic motion planning. GATr consistently outperforms both non-geometric and equivariant baselines in terms of error, data efficiency, and scalability.

Johann Brehmer, Pim de Haan, Phillip Lippe et al.

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 however identifiable in a weakly supervised setting. This involves a dataset with paired samples before and after random, unknown interventions, but no further labels. We then introduce implicit latent causal models, variational autoencoders that represent causal variables and causal structure without having to optimize an explicit discrete graph structure. On simple image data, including a novel dataset of simulated robotic manipulation, we demonstrate that such models can reliably identify the causal structure and disentangle causal variables.

Phillip Lippe, Sara Magliacane, Sindy Löwe et al.

Understanding the latent causal factors of a dynamical system from visual observations is considered a crucial step towards agents reasoning in complex environments. In this paper, we propose CITRIS, a variational autoencoder framework that learns causal representations from temporal sequences of images in which underlying causal factors have possibly been intervened upon. In contrast to the recent literature, CITRIS exploits temporality and observing intervention targets to identify scalar and multidimensional causal factors, such as 3D rotation angles. Furthermore, by introducing a normalizing flow, CITRIS can be easily extended to leverage and disentangle representations obtained by already pretrained autoencoders. Extending previous results on scalar causal factors, we prove identifiability in a more general setting, in which only some components of a causal factor are affected by interventions. In experiments on 3D rendered image sequences, CITRIS outperforms previous methods on recovering the underlying causal variables. Moreover, using pretrained autoencoders, CITRIS can even generalize to unseen instantiations of causal factors, opening future research areas in sim-to-real generalization for causal representation learning.

Yunfan Zhang, Ties van Rozendaal, Johann Brehmer et al.

We propose a method to compress full-resolution video sequences with implicit neural representations. Each frame is represented as a neural network that maps coordinate positions to pixel values. We use a separate implicit network to modulate the coordinate inputs, which enables efficient motion compensation between frames. Together with a small residual network, this allows us to efficiently compress P-frames relative to the previous frame. We further lower the bitrate by storing the network weights with learned integer quantization. Our method, which we call implicit pixel flow (IPF), offers several simplifications over established neural video codecs: it does not require the receiver to have access to a pretrained neural network, does not use expensive interpolation-based warping operations, and does not require a separate training dataset. We demonstrate the feasibility of neural implicit compression on image and video data.

Phillip Lippe, Taco Cohen, Efstratios Gavves

Learning the structure of a causal graphical model using both observational and interventional data is a fundamental problem in many scientific fields. A promising direction is continuous optimization for score-based methods, which, however, require constrained optimization to enforce acyclicity or lack convergence guarantees. In this paper, we present ENCO, an efficient structure learning method for directed, acyclic causal graphs leveraging observational and interventional data. ENCO formulates the graph search as an optimization of independent edge likelihoods, with the edge orientation being modeled as a separate parameter. Consequently, we can provide convergence guarantees of ENCO under mild conditions without constraining the score function with respect to acyclicity. In experiments, we show that ENCO can efficiently recover graphs with hundreds of nodes, an order of magnitude larger than what was previously possible, while handling deterministic variables and latent confounders.

Michael M. Bronstein, Joan Bruna, Taco Cohen et al.

The last decade has witnessed an experimental revolution in data science and machine learning, epitomised by deep learning methods. Indeed, many high-dimensional learning tasks previously thought to be beyond reach -- such as computer vision, playing Go, or protein folding -- are in fact feasible with appropriate computational scale. Remarkably, the essence of deep learning is built from two simple algorithmic principles: first, the notion of representation or feature learning, whereby adapted, often hierarchical, features capture the appropriate notion of regularity for each task, and second, learning by local gradient-descent type methods, typically implemented as backpropagation. While learning generic functions in high dimensions is a cursed estimation problem, most tasks of interest are not generic, and come with essential pre-defined regularities arising from the underlying low-dimensionality and structure of the physical world. This text is concerned with exposing these regularities through unified geometric principles that can be applied throughout a wide spectrum of applications. Such a 'geometric unification' endeavour, in the spirit of Felix Klein's Erlangen Program, serves a dual purpose: on one hand, it provides a common mathematical framework to study the most successful neural network architectures, such as CNNs, RNNs, GNNs, and Transformers. On the other hand, it gives a constructive procedure to incorporate prior physical knowledge into neural architectures and provide principled way to build future architectures yet to be invented.

Dana Kianfar, Auke Wiggers, Amir Said et al.

Rate-Distortion Optimized Quantization (RDOQ) has played an important role in the coding performance of recent video compression standards such as H.264/AVC, H.265/HEVC, VP9 and AV1. This scheme yields significant reductions in bit-rate at the expense of relatively small increases in distortion. Typically, RDOQ algorithms are prohibitively expensive to implement on real-time hardware encoders due to their sequential nature and their need to frequently obtain entropy coding costs. This work addresses this limitation using a neural network-based approach, which learns to trade-off rate and distortion during offline supervised training. As these networks are based solely on standard arithmetic operations that can be executed on existing neural network hardware, no additional area-on-chip needs to be reserved for dedicated RDOQ circuitry. We train two classes of neural networks, a fully-convolutional network and an auto-regressive network, and evaluate each as a post-quantization step designed to refine cheap quantization schemes such as scalar quantization (SQ). Both network architectures are designed to have a low computational overhead. After training they are integrated into the HM 16.20 implementation of HEVC, and their video coding performance is evaluated on a subset of the H.266/VVC SDR common test sequences. Comparisons are made to RDOQ and SQ implementations in HM 16.20. Our method achieves 1.64% BD-rate savings on luminosity compared to the HM SQ anchor, and on average reaches 45% of the performance of the iterative HM RDOQ algorithm.

Pim de Haan, Taco Cohen, Max Welling

A key requirement for graph neural networks is that they must process a graph in a way that does not depend on how the graph is described. Traditionally this has been taken to mean that a graph network must be equivariant to node permutations. Here we show that instead of equivariance, the more general concept of naturality is sufficient for a graph network to be well-defined, opening up a larger class of graph networks. We define global and local natural graph networks, the latter of which are as scalable as conventional message passing graph neural networks while being more flexible. We give one practical instantiation of a natural network on graphs which uses an equivariant message network parameterization, yielding good performance on several benchmarks.

Vijay Veerabadran, Reza Pourreza, Amirhossein Habibian et al.

In this paper, we present a novel adversarial lossy video compression model. At extremely low bit-rates, standard video coding schemes suffer from unpleasant reconstruction artifacts such as blocking, ringing etc. Existing learned neural approaches to video compression have achieved reasonable success on reducing the bit-rate for efficient transmission and reduce the impact of artifacts to an extent. However, they still tend to produce blurred results under extreme compression. In this paper, we present a deep adversarial learned video compression model that minimizes an auxiliary adversarial distortion objective. We find this adversarial objective to correlate better with human perceptual quality judgement relative to traditional quality metrics such as MS-SSIM and PSNR. Our experiments using a state-of-the-art learned video compression system demonstrate a reduction of perceptual artifacts and reconstruction of detail lost especially under extremely high compression.

Pim de Haan, Maurice Weiler, Taco Cohen et al.

A common approach to define convolutions on meshes is to interpret them as a graph and apply graph convolutional networks (GCNs). Such GCNs utilize isotropic kernels and are therefore insensitive to the relative orientation of vertices and thus to the geometry of the mesh as a whole. We propose Gauge Equivariant Mesh CNNs which generalize GCNs to apply anisotropic gauge equivariant kernels. Since the resulting features carry orientation information, we introduce a geometric message passing scheme defined by parallel transporting features over mesh edges. Our experiments validate the significantly improved expressivity of the proposed model over conventional GCNs and other methods.

Taco Cohen, Mario Geiger, Maurice Weiler

We present a general theory of Group equivariant Convolutional Neural Networks (G-CNNs) on homogeneous spaces such as Euclidean space and the sphere. Feature maps in these networks represent fields on a homogeneous base space, and layers are equivariant maps between spaces of fields. The theory enables a systematic classification of all existing G-CNNs in terms of their symmetry group, base space, and field type. We also consider a fundamental question: what is the most general kind of equivariant linear map between feature spaces (fields) of given types? Following Mackey, we show that such maps correspond one-to-one with convolutions using equivariant kernels, and characterize the space of such kernels.

Maurice Weiler, Mario Geiger, Max Welling et al.

We present a convolutional network that is equivariant to rigid body motions. The model uses scalar-, vector-, and tensor fields over 3D Euclidean space to represent data, and equivariant convolutions to map between such representations. These SE(3)-equivariant convolutions utilize kernels which are parameterized as a linear combination of a complete steerable kernel basis, which is derived analytically in this paper. We prove that equivariant convolutions are the most general equivariant linear maps between fields over R^3. Our experimental results confirm the effectiveness of 3D Steerable CNNs for the problem of amino acid propensity prediction and protein structure classification, both of which have inherent SE(3) symmetry.

Bastiaan S. Veeling, Jasper Linmans, Jim Winkens et al.

We propose a new model for digital pathology segmentation, based on the observation that histopathology images are inherently symmetric under rotation and reflection. Utilizing recent findings on rotation equivariant CNNs, the proposed model leverages these symmetries in a principled manner. We present a visual analysis showing improved stability on predictions, and demonstrate that exploiting rotation equivariance significantly improves tumor detection performance on a challenging lymph node metastases dataset. We further present a novel derived dataset to enable principled comparison of machine learning models, in combination with an initial benchmark. Through this dataset, the task of histopathology diagnosis becomes accessible as a challenging benchmark for fundamental machine learning research.

Taco Cohen, Mario Geiger, Jonas Köhler et al.

The success of convolutional networks in learning problems involving planar signals such as images is due to their ability to exploit the translation symmetry of the data distribution through weight sharing. Many areas of science and egineering deal with signals with other symmetries, such as rotation invariant data on the sphere. Examples include climate and weather science, astrophysics, and chemistry. In this paper we present spherical convolutional networks. These networks use convolutions on the sphere and rotation group, which results in rotational weight sharing and rotation equivariance. Using a synthetic spherical MNIST dataset, we show that spherical convolutional networks are very effective at dealing with rotationally invariant classification problems.

Tambet Matiisen, Avital Oliver, Taco Cohen et al.

We propose Teacher-Student Curriculum Learning (TSCL), a framework for automatic curriculum learning, where the Student tries to learn a complex task and the Teacher automatically chooses subtasks from a given set for the Student to train on. We describe a family of Teacher algorithms that rely on the intuition that the Student should practice more those tasks on which it makes the fastest progress, i.e. where the slope of the learning curve is highest. In addition, the Teacher algorithms address the problem of forgetting by also choosing tasks where the Student's performance is getting worse. We demonstrate that TSCL matches or surpasses the results of carefully hand-crafted curricula in two tasks: addition of decimal numbers with LSTM and navigation in Minecraft. Using our automatically generated curriculum enabled to solve a Minecraft maze that could not be solved at all when training directly on solving the maze, and the learning was an order of magnitude faster than uniform sampling of subtasks.

Taco Cohen, Max Welling

We present a new probabilistic model of compact commutative Lie groups that produces invariant-equivariant and disentangled representations of data. To define the notion of disentangling, we borrow a fundamental principle from physics that is used to derive the elementary particles of a system from its symmetries. Our model employs a newfound Bayesian conjugacy relation that enables fully tractable probabilistic inference over compact commutative Lie groups -- a class that includes the groups that describe the rotation and cyclic translation of images. We train the model on pairs of transformed image patches, and show that the learned invariant representation is highly effective for classification.