Marc T. Law

Gabriel Loaiza-Ganem, Kevin Zhang, Wei Cui et al.

Conformal prediction (CP) and its extension, conformal risk control (CRC), are established frameworks for quantifying uncertainty in supervised machine learning through formal guarantees. However, recent breakthroughs in artificial intelligence (AI) have been driven by unsupervised generative models, such as large language models (LLMs) and image generators, which are not directly compatible with CP or CRC. In this work we introduce conformal generation (Conf-Gen), a general framework adapting CRC to generative tasks while relaxing its theoretical assumptions. Conf-Gen unifies and generalizes previous attempts to apply CP to LLMs, and extends conformal methodology to entirely new domains. We demonstrate the flexibility of Conf-Gen through some novel applications, including obtaining conformal guarantees on: image generators producing non-memorized images, conversational AI systems having asked enough clarifying questions, and the output of AI agents being correct.

Rafid Mahmood, James Lucas, Jose M. Alvarez et al. · utoronto

Modern deep learning systems require huge data sets to achieve impressive performance, but there is little guidance on how much or what kind of data to collect. Over-collecting data incurs unnecessary present costs, while under-collecting may incur future costs and delay workflows. We propose a new paradigm for modeling the data collection workflow as a formal optimal data collection problem that allows designers to specify performance targets, collection costs, a time horizon, and penalties for failing to meet the targets. Additionally, this formulation generalizes to tasks requiring multiple data sources, such as labeled and unlabeled data used in semi-supervised learning. To solve our problem, we develop Learn-Optimize-Collect (LOC), which minimizes expected future collection costs. Finally, we numerically compare our framework to the conventional baseline of estimating data requirements by extrapolating from neural scaling laws. We significantly reduce the risks of failing to meet desired performance targets on several classification, segmentation, and detection tasks, while maintaining low total collection costs.

Viraj Prabhu, David Acuna, Andrew Liao et al. · utoronto

Sim2Real domain adaptation (DA) research focuses on the constrained setting of adapting from a labeled synthetic source domain to an unlabeled or sparsely labeled real target domain. However, for high-stakes applications (e.g. autonomous driving), it is common to have a modest amount of human-labeled real data in addition to plentiful auto-labeled source data (e.g. from a driving simulator). We study this setting of supervised sim2real DA applied to 2D object detection. We propose Domain Translation via Conditional Alignment and Reweighting (CARE) a novel algorithm that systematically exploits target labels to explicitly close the sim2real appearance and content gaps. We present an analytical justification of our algorithm and demonstrate strong gains over competing methods on standard benchmarks.

Rafid Mahmood, James Lucas, David Acuna et al.

Given a small training data set and a learning algorithm, how much more data is necessary to reach a target validation or test performance? This question is of critical importance in applications such as autonomous driving or medical imaging where collecting data is expensive and time-consuming. Overestimating or underestimating data requirements incurs substantial costs that could be avoided with an adequate budget. Prior work on neural scaling laws suggest that the power-law function can fit the validation performance curve and extrapolate it to larger data set sizes. We find that this does not immediately translate to the more difficult downstream task of estimating the required data set size to meet a target performance. In this work, we consider a broad class of computer vision tasks and systematically investigate a family of functions that generalize the power-law function to allow for better estimation of data requirements. Finally, we show that incorporating a tuned correction factor and collecting over multiple rounds significantly improves the performance of the data estimators. Using our guidelines, practitioners can accurately estimate data requirements of machine learning systems to gain savings in both development time and data acquisition costs.

Haitz Sáez de Ocáriz Borde, Anastasis Kratsios, Marc T. Law et al. · eth-zurich

We propose a class of trainable deep learning-based geometries called Neural Spacetimes (NSTs), which can universally represent nodes in weighted directed acyclic graphs (DAGs) as events in a spacetime manifold. While most works in the literature focus on undirected graph representation learning or causality embedding separately, our differentiable geometry can encode both graph edge weights in its spatial dimensions and causality in the form of edge directionality in its temporal dimensions. We use a product manifold that combines a quasi-metric (for space) and a partial order (for time). NSTs are implemented as three neural networks trained in an end-to-end manner: an embedding network, which learns to optimize the location of nodes as events in the spacetime manifold, and two other networks that optimize the space and time geometries in parallel, which we call a neural (quasi-)metric and a neural partial order, respectively. The latter two networks leverage recent ideas at the intersection of fractal geometry and deep learning to shape the geometry of the representation space in a data-driven fashion, unlike other works in the literature that use fixed spacetime manifolds such as Minkowski space or De Sitter space to embed DAGs. Our main theoretical guarantee is a universal embedding theorem, showing that any $k$-point DAG can be embedded into an NST with $1+\mathcal{O}(\log(k))$ distortion while exactly preserving its causal structure. The total number of parameters defining the NST is sub-cubic in $k$ and linear in the width of the DAG. If the DAG has a planar Hasse diagram, this is improved to $\mathcal{O}(\log(k)) + 2)$ spatial and 2 temporal dimensions. We validate our framework computationally with synthetic weighted DAGs and real-world network embeddings; in both cases, the NSTs achieve lower embedding distortions than their counterparts using fixed spacetime geometries.

Feiyang Kang, Nadine Chang, Maying Shen et al.

The computational burden and inherent redundancy of large-scale datasets challenge the training of contemporary machine learning models. Data pruning offers a solution by selecting smaller, informative subsets, yet existing methods struggle: density-based approaches can be task-agnostic, while model-based techniques may introduce redundancy or prove computationally prohibitive. We introduce Adaptive De-Duplication (AdaDeDup), a novel hybrid framework that synergistically integrates density-based pruning with model-informed feedback in a cluster-adaptive manner. AdaDeDup first partitions data and applies an initial density-based pruning. It then employs a proxy model to evaluate the impact of this initial pruning within each cluster by comparing losses on kept versus pruned samples. This task-aware signal adaptively adjusts cluster-specific pruning thresholds, enabling more aggressive pruning in redundant clusters while preserving critical data in informative ones. Extensive experiments on large-scale object detection benchmarks (Waymo, COCO, nuScenes) using standard models (BEVFormer, Faster R-CNN) demonstrate AdaDeDup's advantages. It significantly outperforms prominent baselines, substantially reduces performance degradation (e.g., over 54% versus random sampling on Waymo), and achieves near-original model performance while pruning 20% of data, highlighting its efficacy in enhancing data efficiency for large-scale model training. Code is open-sourced.

Rahul Vigneswaran, Marc T. Law, Vineeth N. Balasubramanian et al.

The visual world naturally exhibits an imbalance in the number of object or scene instances resulting in a \emph{long-tailed distribution}. This imbalance poses significant challenges for classification models based on deep learning. Oversampling instances of the tail classes attempts to solve this imbalance. However, the limited visual diversity results in a network with poor representation ability. A simple counter to this is decoupling the representation and classifier networks and using oversampling only to train the classifier. In this paper, instead of repeatedly re-sampling the same image (and thereby features), we explore a direction that attempts to generate meaningful features by estimating the tail category's distribution. Inspired by ideas from recent work on few-shot learning, we create calibrated distributions to sample additional features that are subsequently used to train the classifier. Through several experiments on the CIFAR-100-LT (long-tail) dataset with varying imbalance factors and on mini-ImageNet-LT (long-tail), we show the efficacy of our approach and establish a new state-of-the-art. We also present a qualitative analysis of generated features using t-SNE visualizations and analyze the nearest neighbors used to calibrate the tail class distributions. Our code is available at https://github.com/rahulvigneswaran/TailCalibX.

Derek Lim, Haggai Maron, Marc T. Law et al. · nvidia

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

Nikita Durasov, Rafid Mahmood, Jiwoong Choi et al.

3D object detection is an essential task for computer vision applications in autonomous vehicles and robotics. However, models often struggle to quantify detection reliability, leading to poor performance on unfamiliar scenes. We introduce a framework for quantifying uncertainty in 3D object detection by leveraging an evidential learning loss on Bird's Eye View representations in the 3D detector. These uncertainty estimates require minimal computational overhead and are generalizable across different architectures. We demonstrate both the efficacy and importance of these uncertainty estimates on identifying out-of-distribution scenes, poorly localized objects, and missing (false negative) detections; our framework consistently improves over baselines by 10-20% on average. Finally, we integrate this suite of tasks into a system where a 3D object detector auto-labels driving scenes and our uncertainty estimates verify label correctness before the labels are used to train a second model. Here, our uncertainty-driven verification results in a 1% improvement in mAP and a 1-2% improvement in NDS.

Anastasis Kratsios, Haitz Sáez de Ocáriz Borde, Takashi Furuya et al. · eth-zurich

Mixture-of-Experts (MoEs) can scale up beyond traditional deep learning models by employing a routing strategy in which each input is processed by a single "expert" deep learning model. This strategy allows us to scale up the number of parameters defining the MoE while maintaining sparse activation, i.e., MoEs only load a small number of their total parameters into GPU VRAM for the forward pass depending on the input. In this paper, we provide an approximation and learning-theoretic analysis of mixtures of expert MLPs with (P)ReLU activation functions. We first prove that for every error level $\varepsilon>0$ and every Lipschitz function $f:[0,1]^n\to \mathbb{R}$, one can construct a MoMLP model (a Mixture-of-Experts comprising of (P)ReLU MLPs) which uniformly approximates $f$ to $\varepsilon$ accuracy over $[0,1]^n$, while only requiring networks of $\mathcal{O}(\varepsilon^{-1})$ parameters to be loaded in memory. Additionally, we show that MoMLPs can generalize since the entire MoMLP model has a (finite) VC dimension of $\tilde{O}(L\max\{nL,JW\})$, if there are $L$ experts and each expert has a depth and width of $J$ and $W$, respectively.

David Acuna, Guojun Zhang, Marc T. Law et al.

Unsupervised domain adaptation is used in many machine learning applications where, during training, a model has access to unlabeled data in the target domain, and a related labeled dataset. In this paper, we introduce a novel and general domain-adversarial framework. Specifically, we derive a novel generalization bound for domain adaptation that exploits a new measure of discrepancy between distributions based on a variational characterization of f-divergences. It recovers the theoretical results from Ben-David et al. (2010a) as a special case and supports divergences used in practice. Based on this bound, we derive a new algorithmic framework that introduces a key correction in the original adversarial training method of Ganin et al. (2016). We show that many regularizers and ad-hoc objectives introduced over the last years in this framework are then not required to achieve performance comparable to (if not better than) state-of-the-art domain-adversarial methods. Experimental analysis conducted on real-world natural language and computer vision datasets show that our framework outperforms existing baselines, and obtains the best results for f-divergences that were not considered previously in domain-adversarial learning.

Rafid Mahmood, Sanja Fidler, Marc T. Law

Active learning is the process of training a model with limited labeled data by selecting a core subset of an unlabeled data pool to label. The large scale of data sets used in deep learning forces most sample selection strategies to employ efficient heuristics. This paper introduces an integer optimization problem for selecting a core set that minimizes the discrete Wasserstein distance from the unlabeled pool. We demonstrate that this problem can be tractably solved with a Generalized Benders Decomposition algorithm. Our strategy uses high-quality latent features that can be obtained by unsupervised learning on the unlabeled pool. Numerical results on several data sets show that our optimization approach is competitive with baselines and particularly outperforms them in the low budget regime where less than one percent of the data set is labeled.

Aayush Prakash, Shoubhik Debnath, Jean-Francois Lafleche et al.

Synthetic data is emerging as a promising solution to the scalability issue of supervised deep learning, especially when real data are difficult to acquire or hard to annotate. Synthetic data generation, however, can itself be prohibitively expensive when domain experts have to manually and painstakingly oversee the process. Moreover, neural networks trained on synthetic data often do not perform well on real data because of the domain gap. To solve these challenges, we propose Sim2SG, a self-supervised automatic scene generation technique for matching the distribution of real data. Importantly, Sim2SG does not require supervision from the real-world dataset, thus making it applicable in situations for which such annotations are difficult to obtain. Sim2SG is designed to bridge both the content and appearance gaps, by matching the content of real data, and by matching the features in the source and target domains. We select scene graph (SG) generation as the downstream task, due to the limited availability of labeled datasets. Experiments demonstrate significant improvements over leading baselines in reducing the domain gap both qualitatively and quantitatively, on several synthetic datasets as well as the real-world KITTI dataset.

Marc T. Law, Jos Stam

In machine learning, data is usually represented in a (flat) Euclidean space where distances between points are along straight lines. Researchers have recently considered more exotic (non-Euclidean) Riemannian manifolds such as hyperbolic space which is well suited for tree-like data. In this paper, we propose a representation living on a pseudo-Riemannian manifold of constant nonzero curvature. It is a generalization of hyperbolic and spherical geometries where the nondegenerate metric tensor need not be positive definite. We provide the necessary learning tools in this geometry and extend gradient-based optimization techniques. More specifically, we provide closed-form expressions for distances via geodesics and define a descent direction to minimize some objective function. Our novel framework is applied to graph representations.

Makarand Tapaswi, Marc T. Law, Sanja Fidler

Understanding videos such as TV series and movies requires analyzing who the characters are and what they are doing. We address the challenging problem of clustering face tracks based on their identity. Different from previous work in this area, we choose to operate in a realistic and difficult setting where: (i) the number of characters is not known a priori; and (ii) face tracks belonging to minor or background characters are not discarded. To this end, we propose Ball Cluster Learning (BCL), a supervised approach to carve the embedding space into balls of equal size, one for each cluster. The learned ball radius is easily translated to a stopping criterion for iterative merging algorithms. This gives BCL the ability to estimate the number of clusters as well as their assignment, achieving promising results on commonly used datasets. We also present a thorough discussion of how existing metric learning literature can be adapted for this task.