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Publications
Continual Learning In Environments With Polynomial Mixing Times
The mixing time of the Markov chain induced by a policy limits performance in real-world continual learning scenarios. Yet, the effect of mi… (voir plus)xing times on learning in continual reinforcement learning (RL) remains underexplored. In this paper, we characterize problems that are of long-term interest to the development of continual RL, which we call scalable MDPs, through the lens of mixing times. In particular, we theoretically establish that scalable MDPs have mixing times that scale polynomially with the size of the problem. We go on to demonstrate that polynomial mixing times present significant difficulties for existing approaches, which suffer from myopic bias and stale bootstrapped estimates. To validate our theory, we study the empirical scaling behavior of mixing times with respect to the number of tasks and task duration for high performing policies deployed across multiple Atari games. Our analysis demonstrates both that polynomial mixing times do emerge in practice and how their existence may lead to unstable learning behavior like catastrophic forgetting in continual learning settings.
Abstraction has been widely studied as a way to improve the efficiency and generalization of reinforcement learning algorithms. In this pape… (voir plus)r, we study abstraction in the continuous-control setting. We extend the definition of MDP homomorphisms to encompass continuous actions in continuous state spaces. We derive a policy gradient theorem on the abstract MDP, which allows us to leverage approximate symmetries of the environment for policy optimization. Based on this theorem, we propose an actor-critic algorithm that is able to learn the policy and the MDP homomorphism map simultaneously, using the lax bisimulation metric. We demonstrate the effectiveness of our method on benchmark tasks in the DeepMind Control Suite. Our method's ability to utilize MDP homomorphisms for representation learning leads to improved performance when learning from pixel observations.
The performance of trained neural networks is robust to harsh levels of pruning. Coupled with the ever-growing size of deep learning models,… (voir plus) this observation has motivated extensive research on learning sparse models. In this work, we focus on the task of controlling the level of sparsity when performing sparse learning. Existing methods based on sparsity-inducing penalties involve expensive trial-and-error tuning of the penalty factor, thus lacking direct control of the resulting model sparsity. In response, we adopt a constrained formulation: using the gate mechanism proposed by Louizos et al. (2018), we formulate a constrained optimization problem where sparsification is guided by the training objective and the desired sparsity target in an end-to-end fashion. Experiments on CIFAR-{10, 100}, TinyImageNet, and ImageNet using WideResNet and ResNet{18, 50} models validate the effectiveness of our proposal and demonstrate that we can reliably achieve pre-determined sparsity targets without compromising on predictive performance.
2022-11-28
Conference on Neural Information Processing Systems (Accept)
Structured pruning is an effective approach for compressing large pre-trained neural networks without significantly affecting their performa… (voir plus)nce. However, most current structured pruning methods do not provide any performance guarantees, and often require fine-tuning, which makes them inapplicable in the limited-data regime. We propose a principled data-efficient structured pruning method based on submodular optimization. In particular, for a given layer, we select neurons/channels to prune and corresponding new weights for the next layer, that minimize the change in the next layer's input induced by pruning. We show that this selection problem is a weakly submodular maximization problem, thus it can be provably approximated using an efficient greedy algorithm. Our method is guaranteed to have an exponentially decreasing error between the original model and the pruned model outputs w.r.t the pruned size, under reasonable assumptions. It is also one of the few methods in the literature that uses only a limited-number of training data and no labels. Our experimental results demonstrate that our method outperforms state-of-the-art methods in the limited-data regime.
2022-11-28
Conference on Neural Information Processing Systems (Accept)
Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. Howev… (voir plus)er, by presenting a graph classification investigation on the training graphs with severe bias, surprisingly, we discover that GNNs always tend to explore the spurious correlations to make decision, even if the causal correlation always exists. This implies that existing GNNs trained on such biased datasets will suffer from poor generalization capability. By analyzing this problem in a causal view, we find that disentangling and decorrelating the causal and bias latent variables from the biased graphs are both crucial for debiasing. Inspiring by this, we propose a general disentangled GNN framework to learn the causal substructure and bias substructure, respectively. Particularly, we design a parameterized edge mask generator to explicitly split the input graph into causal and bias subgraphs. Then two GNN modules supervised by causal/bias-aware loss functions respectively are trained to encode causal and bias subgraphs into their corresponding representations. With the disentangled representations, we synthesize the counterfactual unbiased training samples to further decorrelate causal and bias variables. Moreover, to better benchmark the severe bias problem, we construct three new graph datasets, which have controllable bias degrees and are easier to visualize and explain. Experimental results well demonstrate that our approach achieves superior generalization performance over existing baselines. Furthermore, owing to the learned edge mask, the proposed model has appealing interpretability and transferability. Code and data are available at: https://github.com/googlebaba/DisC.
2022-11-28
Conference on Neural Information Processing Systems (Accept)
Recently, Loizou et al. (2021), proposed and analyzed stochastic gradient descent (SGD) with stochastic Polyak stepsize (SPS). The proposed … (voir plus)SPS comes with strong convergence guarantees and competitive performance; however, it has two main drawbacks when it is used in non-over-parameterized regimes: (i) It requires a priori knowledge of the optimal mini-batch losses, which are not available when the interpolation condition is not satisfied (e.g., regularized objectives), and (ii) it guarantees convergence only to a neighborhood of the solution. In this work, we study the dynamics and the convergence properties of SGD equipped with new variants of the stochastic Polyak stepsize and provide solutions to both drawbacks of the original SPS. We first show that a simple modification of the original SPS that uses lower bounds instead of the optimal function values can directly solve issue (i). On the other hand, solving issue (ii) turns out to be more challenging and leads us to valuable insights into the method's behavior. We show that if interpolation is not satisfied, the correlation between SPS and stochastic gradients introduces a bias, which effectively distorts the expectation of the gradient signal near minimizers, leading to non-convergence - even if the stepsize is scaled down during training. To fix this issue, we propose DecSPS, a novel modification of SPS, which guarantees convergence to the exact minimizer - without a priori knowledge of the problem parameters. For strongly-convex optimization problems, DecSPS is the first stochastic adaptive optimization method that converges to the exact solution without restrictive assumptions like bounded iterates/gradients.
2022-11-28
Conference on Neural Information Processing Systems (Accept)
Supervised learning with deep models has tremendous potential for applications in materials science. Recently, graph neural networks have be… (voir plus)en used in this context, drawing direct inspiration from models for molecules. However, materials are typically much more structured than molecules, which is a feature that these models do not leverage. In this work, we introduce a class of models that are equivariant with respect to crystalline symmetry groups. We do this by defining a generalization of the message passing operations that can be used with more general permutation groups, or that can alternatively be seen as defining an expressive convolution operation on the crystal graph. Empirically, these models achieve competitive results with state-of-the-art on property prediction tasks.
2022-11-28
Conference on Neural Information Processing Systems (Accept)
Functional connectivity subtypes associate robustly with ASD diagnosis
Sebastian G. W. Urchs
Angela Tam
Pierre Orban
Clara A. Moreau
Yassine Benhajali
Hien Duy Nguyen
Alan C. Evans
Lune P Bellec
Our understanding of the changes in functional brain organization in autism is hampered by the extensive heterogeneity that characterizes th… (voir plus)is neurodevelopmental disorder. Data driven clustering offers a straightforward way to decompose autism heterogeneity into subtypes of connectivity and promises an unbiased framework to investigate behavioral symptoms and causative genetic factors. Yet, the robustness and generalizability of functional connectivity subtypes is unknown. Here, we show that a simple hierarchical cluster analysis can robustly relate a given individual and brain network to a connectivity subtype, but that continuous assignments are more robust than discrete ones. We also found that functional connectivity subtypes are moderately associated with the clinical diagnosis of autism, and these associations generalize to independent replication data. We explored systematically 18 different brain networks as we expected them to associate with different behavioral profiles as well as different key regions. Contrary to this prediction, autism functional connectivity subtypes converged on a common topography across different networks, consistent with a compression of the primary gradient of functional brain organization, as previously reported in the literature. Our results support the use of data driven clustering as a reliable data dimensionality reduction technique, where any given dimension only associates moderately with clinical manifestations.
The study of first-order optimization is sensitive to the assumptions made on the objective functions. These assumptions induce complexity c… (voir plus)lasses which play a key role in worst-case analysis, including the fundamental concept of algorithm optimality. Recent work argues that strong convexity and smoothness, popular assumptions in literature, lead to a pathological definition of the condition number (Guille-Escuret et al., 2021). Motivated by this result, we focus on the class of functions satisfying a lower restricted secant inequality and an upper error bound. On top of being robust to the aforementioned pathological behavior and including some non-convex functions, this pair of conditions displays interesting geometrical properties. In particular, the necessary and sufficient conditions to interpolate a set of points and their gradients within the class can be separated into simple conditions on each sampled gradient. This allows the performance estimation problem (PEP, Drori and Teboulle (2012)) to be solved analytically, leading to a lower bound on the convergence rate that proves gradient descent to be exactly optimal on this class of functions among all first-order algorithms.
2022-11-28
Conference on Neural Information Processing Systems (Accept)
Graph Neural Networks (GNNs) are attracting growing attention due to their effectiveness and flexibility in modeling a variety of graph-stru… (voir plus)ctured data. Exiting GNN architectures usually adopt simple pooling operations (eg. sum, average, max) when aggregating messages from a local neighborhood for updating node representation or pooling node representations from the entire graph to compute the graph representation. Though simple and effective, these linear operations do not model high-order non-linear interactions among nodes. We propose the Tensorized Graph Neural Network (tGNN), a highly expressive GNN architecture relying on tensor decomposition to model high-order non-linear node interactions. tGNN leverages the symmetric CP decomposition to efficiently parameterize permutation-invariant multilinear maps for modeling node interactions. Theoretical and empirical analysis on both node and graph classification tasks show the superiority of tGNN over competitive baselines. In particular, tGNN achieves the most solid results on two OGB node classification datasets and one OGB graph classification dataset.