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Publications
A three-state coupled Markov switching model for COVID-19 outbreaks across Quebec based on hospital admissions (preprint)
AmbieGen is a tool for generating test cases for cyber-physical systems (CPS). In the context of SBST 2022 CPS tool competition, it has been… (see more) adapted to generating virtual roads to test a car lane keeping assist system. AmbieGen leverages a two objective NSGA-II algorithm to produce the test cases. It has achieved the highest final score, accounting for the test case efficiency, effectiveness and diversity in both testing configurations.
2023-02-03
Proceedings of the 15th Workshop on Search-Based Software Testing (published)
We present a smoothly broken power law functional form (that we refer to as a Broken Neural Scaling Law (BNSL)) that accurately models&extra… (see more)polates the scaling behaviors of deep neural networks (i.e. how the evaluation metric of interest varies as amount of compute used for training (or inference), number of model parameters, training dataset size, model input size, number of training steps, or upstream performance varies) for various architectures&for each of various tasks within a large&diverse set of upstream&downstream tasks, in zero-shot, prompted,&finetuned settings. This set includes large-scale vision, language, audio, video, diffusion, generative modeling, multimodal learning, contrastive learning, AI alignment, AI capabilities, robotics, out-of-distribution (OOD) generalization, continual learning, transfer learning, uncertainty estimation / calibration, OOD detection, adversarial robustness, distillation, sparsity, retrieval, quantization, pruning, fairness, molecules, computer programming/coding, math word problems,"emergent phase transitions", arithmetic, supervised learning, unsupervised/self-supervised learning,&reinforcement learning (single agent&multi-agent). When compared to other functional forms for neural scaling, this functional form yields extrapolations of scaling behavior that are considerably more accurate on this set. Moreover, this functional form accurately models&extrapolates scaling behavior that other functional forms are incapable of expressing such as the nonmonotonic transitions present in the scaling behavior of phenomena such as double descent&the delayed, sharp inflection points present in the scaling behavior of tasks such as arithmetic. Lastly, we use this functional form to glean insights about the limit of the predictability of scaling behavior. Code is available at https://github.com/ethancaballero/broken_neural_scaling_laws
We introduce CriticSMC, a new algorithm for planning as inference built from a composition of sequential Monte Carlo with learned Soft-Q fun… (see more)ction heuristic factors. These heuristic factors, obtained from parametric approximations of the marginal likelihood ahead, more effectively guide SMC towards the desired target distribution, which is particularly helpful for planning in environments with hard constraints placed sparsely in time. Compared with previous work, we modify the placement of such heuristic factors, which allows us to cheaply propose and evaluate large numbers of putative action particles, greatly increasing inference and planning efficiency. CriticSMC is compatible with informative priors, whose density function need not be known, and can be used as a model-free control algorithm. Our experiments on collision avoidance in a high-dimensional simulated driving task show that CriticSMC significantly reduces collision rates at a low computational cost while maintaining realism and diversity of driving behaviors across vehicles and environment scenarios.
A grand goal in deep learning research is to learn representations capable of generalizing across distribution shifts. Disentanglement is on… (see more)e promising direction aimed at aligning a model's representation with the underlying factors generating the data (e.g. color or background). Existing disentanglement methods, however, rely on an often unrealistic assumption: that factors are statistically independent. In reality, factors (like object color and shape) are correlated. To address this limitation, we consider the use of a relaxed disentanglement criterion -- the Hausdorff Factorized Support (HFS) criterion -- that encourages only pairwise factorized \emph{support}, rather than a factorial distribution, by minimizing a Hausdorff distance. This allows for arbitrary distributions of the factors over their support, including correlations between them. We show that the use of HFS consistently facilitates disentanglement and recovery of ground-truth factors across a variety of correlation settings and benchmarks, even under severe training correlations and correlation shifts, with in parts over
In silico prediction of the ligand binding pose to a given protein target is a crucial but challenging task in drug discovery.
This work foc… (see more)uses on blind flexible self-docking, where we aim to predict the positions, orientations and conformations of docked molecules. Traditional physics-based methods usually suffer from inaccurate scoring functions and high inference cost. Recently, data-driven methods based on deep learning techniques are attracting growing interest thanks to their efficiency during inference and promising performance. These methods usually either adopt a two-stage approach by first predicting the distances between proteins and ligands and then generating the final coordinates based on the predicted distances, or directly predicting the global roto-translation of ligands. In this paper, we take a different route. Inspired by the resounding success of AlphaFold2 for protein structure prediction, we propose E3Bind, an end-to-end equivariant network that iteratively updates the ligand pose. E3Bind models the protein-ligand interaction through careful consideration of the geometric constraints in docking and the local context of the binding site. Experiments on standard benchmark datasets demonstrate the superior performance of our end-to-end trainable model compared to traditional and recently-proposed deep learning methods.
SHAP explanations aim at identifying which features contribute the most to the difference in model prediction at a specific input versus a … (see more)background distribution. Recent studies have shown that they can be manipulated by malicious adversaries to produce arbitrary desired explanations. However, existing attacks focus solely on altering the black-box model itself. In this paper, we propose a complementary family of attacks that leave the model intact and manipulate SHAP explanations using stealthily biased sampling of the data points used to approximate expectations w.r.t the background distribution. In the context of fairness audit, we show that our attack can reduce the importance of a sensitive feature when explaining the difference in outcomes between groups, while remaining undetected. These results highlight the manipulability of SHAP explanations and encourage auditors to treat post-hoc explanations with skepticism.
The Strong Lottery Ticket Hypothesis (SLTH) stipulates the existence of a subnetwork within a sufficiently overparameterized (dense) neural … (see more)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