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Publications
A General Framework For Proving The Equivariant Strong Lottery Ticket Hypothesis
The Strong Lottery Ticket Hypothesis (SLTH) stipulates the existence of a subnetwork within a sufficiently overparameterized (dense) neural … (voir plus)network that -- when initialized randomly and without any training -- achieves the accuracy of a fully trained target network. Recent works by Da Cunha et. al 2022; Burkholz 2022 demonstrate that the SLTH can be extended to translation equivariant networks -- i.e. CNNs -- with the same level of overparametrization as needed for the SLTs in dense networks. However, modern neural networks are capable of incorporating more than just translation symmetry, and developing general equivariant architectures such as rotation and permutation has been a powerful design principle. In this paper, we generalize the SLTH to functions that preserve the action of the group
The Generative Flow Network is a probabilistic framework where an agent learns a stochastic policy for object generation, such that the prob… (voir plus)ability of generating an object is proportional to a given reward function. Its effectiveness has been shown in discovering high-quality and diverse solutions, compared to reward-maximizing reinforcement learning-based methods. Nonetheless, GFlowNets only learn from rewards of the terminal states, which can limit its applicability. Indeed, intermediate rewards play a critical role in learning, for example from intrinsic motivation to provide intermediate feedback even in particularly challenging sparse reward tasks. Inspired by this, we propose Generative Augmented Flow Networks (GAFlowNets), a novel learning framework to incorporate intermediate rewards into GFlowNets. We specify intermediate rewards by intrinsic motivation to tackle the exploration problem in sparse reward environments. GAFlowNets can leverage edge-based and state-based intrinsic rewards in a joint way to improve exploration. Based on extensive experiments on the GridWorld task, we demonstrate the effectiveness and efficiency of GAFlowNet in terms of convergence, performance, and diversity of solutions. We further show that GAFlowNet is scalable to a more complex and large-scale molecule generation domain, where it achieves consistent and significant performance improvement.
This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically us… (voir plus)ed to model distributions over continuous spaces, and generative flow networks (GFlowNets), which have been used for distributions over discrete structures such as graphs. We demonstrate that, in certain cases, VI algorithms are equivalent to special cases of GFlowNets in the sense of equality of expected gradients of their learning objectives. We then point out the differences between the two families and show how these differences emerge experimentally. Notably, GFlowNets, which borrow ideas from reinforcement learning, are more amenable than VI to off-policy training without the cost of high gradient variance induced by importance sampling. We argue that this property of GFlowNets can provide advantages for capturing diversity in multimodal target distributions.
Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the p… (voir plus)ace of scientific discovery. While science has traditionally relied...
There is growing interest in understanding how real brains may approximate gradients and how gradients can be used to train neuromorphic chi… (voir plus)ps. However, neither real brains nor neuromorphic chips can perfectly follow the loss gradient, so parameter updates would necessarily use gradient estimators that have some variance and/or bias. Therefore, there is a need to understand better how variance and bias in gradient estimators impact learning dependent on network and task properties. Here, we show that variance and bias can impair learning on the training data, but some degree of variance and bias in a gradient estimator can be beneficial for generalization. We find that the ideal amount of variance and bias in a gradient estimator are dependent on several properties of the network and task: the size and activity sparsity of the network, the norm of the gradient, and the curvature of the loss landscape. As such, whether considering biologically-plausible learning algorithms or algorithms for training neuromorphic chips, researchers can analyze these properties to determine whether their approximation to gradient descent will be effective for learning given their network and task properties.
Deep learning vision systems are widely deployed across applications where reliability is critical. However, even today's best models can fa… (voir plus)il to recognize an object when its pose, lighting, or background varies. While existing benchmarks surface examples challenging for models, they do not explain why such mistakes arise. To address this need, we introduce ImageNet-X—a set of sixteen human annotations of factors such as pose, background, or lighting the entire ImageNet-1k validation set as well as a random subset of 12k training images. Equipped with ImageNet-X, we investigate 2,200 current recognition models and study the types of mistakes as a function of model’s (1) architecture, e.g. transformer vs. convolutional, (2) learning paradigm, e.g. supervised vs. self-supervised, and (3) training procedures, e.g., data augmentation. Regardless of these choices, we find models have consistent failure modes across ImageNet-X categories. We also find that while data augmentation can improve robustness to certain factors, they induce spill-over effects to other factors. For example, color-jitter augmentation improves robustness to color and brightness, but surprisingly hurts robustness to pose. Together, these insights suggest to advance the robustness of modern vision models, future research should focus on collecting additional data and understanding data augmentation schemes. Along with these insights, we release a toolkit based on ImageNet-X to spur further study into the mistakes image recognition systems make.
Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their si… (voir plus)mulation-based maximum likelihood training. We introduce the generalized conditional flow matching (CFM) technique, a family of simulation-free training objectives for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, CFM does not require the source distribution to be Gaussian or require evaluation of its density. A variant of our objective is optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Furthermore, we show that when the true OT plan is available, our OT-CFM method approximates dynamic OT. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks, such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference.
Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their si… (voir plus)mulation-based maximum likelihood training. We introduce the generalized conditional flow matching (CFM) technique, a family of simulation-free training objectives for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, CFM does not require the source distribution to be Gaussian or require evaluation of its density. A variant of our objective is optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Furthermore, we show that when the true OT plan is available, our OT-CFM method approximates dynamic OT. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks, such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference.
Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their si… (voir plus)mulation-based maximum likelihood training. We introduce the generalized conditional flow matching (CFM) technique, a family of simulation-free training objectives for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, CFM does not require the source distribution to be Gaussian or require evaluation of its density. A variant of our objective is optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Furthermore, we show that when the true OT plan is available, our OT-CFM method approximates dynamic OT. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks, such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference.
Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their si… (voir plus)mulation-based maximum likelihood training. We introduce the generalized conditional flow matching (CFM) technique, a family of simulation-free training objectives for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, CFM does not require the source distribution to be Gaussian or require evaluation of its density. A variant of our objective is optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Furthermore, we show that when the true OT plan is available, our OT-CFM method approximates dynamic OT. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks, such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference.
Neural Processes (NPs) are popular methods in meta-learning that can estimate predictive uncertainty on target datapoints by conditioning on… (voir plus) a context dataset. Previous state-of-the-art method Transformer Neural Processes (TNPs) achieve strong performance but require quadratic computation with respect to the number of context datapoints, significantly limiting its scalability. Conversely, existing sub-quadratic NP variants perform significantly worse than that of TNPs. Tackling this issue, we propose Latent Bottlenecked Attentive Neural Processes (LBANPs), a new computationally efficient sub-quadratic NP variant, that has a querying computational complexity independent of the number of context datapoints. The model encodes the context dataset into a constant number of latent vectors on which self-attention is performed. When making predictions, the model retrieves higher-order information from the context dataset via multiple cross-attention mechanisms on the latent vectors. We empirically show that LBANPs achieve results competitive with the state-of-the-art on meta-regression, image completion, and contextual multi-armed bandits. We demonstrate that LBANPs can trade-off the computational cost and performance according to the number of latent vectors. Finally, we show LBANPs can scale beyond existing attention-based NP variants to larger dataset settings.
