Improving Hyperparameter Optimization with Checkpointed Model Weights

When training deep learning models, the performance depends largely on the selected hyperparameters. However, hyperparameter optimization (HPO) is often one of the most expensive parts of model design. Classical HPO methods treat this as a black-box optimization problem. However, gray-box HPO methods, which incorporate more information about the setup, have emerged as a promising direction for more efficient optimization. For example, using intermediate loss evaluations to terminate bad selections. In this work, we propose an HPO method for neural networks using logged checkpoints of the trained weights to guide future hyperparameter selections. Our method, Forecasting Model Search (FMS), embeds weights into a Gaussian process deep kernel surrogate model, using a permutation-invariant graph metanetwork to be data-efficient with the logged network weights. To facilitate reproducibility and further research, we open-source our code at https://github.com/NVlabs/forecasting-model-search.

LATTE3D: Large-scale Amortized Text-To-Enhanced3D Synthesis

Recent text-to-3D generation approaches produce impressive 3D results but require time-consuming optimization that can take up to an hour per prompt. Amortized methods like ATT3D optimize multiple prompts simultaneously to improve efficiency, enabling fast text-to-3D synthesis. However, they cannot capture high-frequency geometry and texture details and struggle to scale to large prompt sets, so they generalize poorly. We introduce LATTE3D, addressing these limitations to achieve fast, high-quality generation on a significantly larger prompt set. Key to our method is 1) building a scalable architecture and 2) leveraging 3D data during optimization through 3D-aware diffusion priors, shape regularization, and model initialization to achieve robustness to diverse and complex training prompts. LATTE3D amortizes both neural field and textured surface generation to produce highly detailed textured meshes in a single forward pass. LATTE3D generates 3D objects in 400ms, and can be further enhanced with fast test-time optimization.

Graph Metanetworks for Processing Diverse Neural Architectures

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.

ATT3D: Amortized Text-to-3D Object Synthesis

Text-to-3D modelling has seen exciting progress by combining generative text-to-image models with image-to-3D methods like Neural Radiance Fields. DreamFusion recently achieved high-quality results but requires a lengthy, per-prompt optimization to create 3D objects. To address this, we amortize optimization over text prompts by training on many prompts simultaneously with a unified model, instead of separately. With this, we share computation across a prompt set, training in less time than per-prompt optimization. Our framework - Amortized text-to-3D (ATT3D) - enables knowledge-sharing between prompts to generalize to unseen setups and smooth interpolations between text for novel assets and simple animations.

Bridging the Sim2Real gap with CARE: Supervised Detection Adaptation with Conditional Alignment and Reweighting

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.

The Calibration Generalization Gap

Calibration is a fundamental property of a good predictive model: it requires that the model predicts correctly in proportion to its confidence. Modern neural networks, however, provide no strong guarantees on their calibration -- and can be either poorly calibrated or well-calibrated depending on the setting. It is currently unclear which factors contribute to good calibration (architecture, data augmentation, overparameterization, etc), though various claims exist in the literature. We propose a systematic way to study the calibration error: by decomposing it into (1) calibration error on the train set, and (2) the calibration generalization gap. This mirrors the fundamental decomposition of generalization. We then investigate each of these terms, and give empirical evidence that (1) DNNs are typically always calibrated on their train set, and (2) the calibration generalization gap is upper-bounded by the standard generalization gap. Taken together, this implies that models with small generalization gap (|Test Error - Train Error|) are well-calibrated. This perspective unifies many results in the literature, and suggests that interventions which reduce the generalization gap (such as adding data, using heavy augmentation, or smaller model size) also improve calibration. We thus hope our initial study lays the groundwork for a more systematic and comprehensive understanding of the relation between calibration, generalization, and optimization.

Optimizing Data Collection for Machine Learning

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.

How Much More Data Do I Need? Estimating Requirements for Downstream Tasks

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.

Causal Scene BERT: Improving object detection by searching for challenging groups of data

Modern computer vision applications rely on learning-based perception modules parameterized with neural networks for tasks like object detection. These modules frequently have low expected error overall but high error on atypical groups of data due to biases inherent in the training process. In building autonomous vehicles (AV), this problem is an especially important challenge because their perception modules are crucial to the overall system performance. After identifying failures in AV, a human team will comb through the associated data to group perception failures that share common causes. More data from these groups is then collected and annotated before retraining the model to fix the issue. In other words, error groups are found and addressed in hindsight. Our main contribution is a pseudo-automatic method to discover such groups in foresight by performing causal interventions on simulated scenes. To keep our interventions on the data manifold, we utilize masked language models. We verify that the prioritized groups found via intervention are challenging for the object detector and show that retraining with data collected from these groups helps inordinately compared to adding more IID data. We also plan to release software to run interventions in simulated scenes, which we hope will benefit the causality community.

Analyzing Monotonic Linear Interpolation in Neural Network Loss Landscapes

Linear interpolation between initial neural network parameters and converged parameters after training with stochastic gradient descent (SGD) typically leads to a monotonic decrease in the training objective. This Monotonic Linear Interpolation (MLI) property, first observed by Goodfellow et al. (2014) persists in spite of the non-convex objectives and highly non-linear training dynamics of neural networks. Extending this work, we evaluate several hypotheses for this property that, to our knowledge, have not yet been explored. Using tools from differential geometry, we draw connections between the interpolated paths in function space and the monotonicity of the network - providing sufficient conditions for the MLI property under mean squared error. While the MLI property holds under various settings (e.g. network architectures and learning problems), we show in practice that networks violating the MLI property can be produced systematically, by encouraging the weights to move far from initialization. The MLI property raises important questions about the loss landscape geometry of neural networks and highlights the need to further study their global properties.