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Neural Information Processing Systems

We would like to thank all referees for their appreciation of our results and the useful feedback. Example 3.2 indicates that when Second, Example 3.3 shows that we can recover the To improve the transparency of our estimator, we will provide in the revision a description of the worst-case distribution. We agree that this information should be made more explicit to the readers. Thank you for pointing out the relevant literature. We will include this discussion.



Automated Planning Domain Inference for Task and Motion Planning

arXiv.org Artificial Intelligence

Task and motion planning (TAMP) frameworks address long and complex planning problems by integrating high-level task planners with low-level motion planners. However, existing TAMP methods rely heavily on the manual design of planning domains that specify the preconditions and postconditions of all high-level actions. This paper proposes a method to automate planning domain inference from a handful of test-time trajectory demonstrations, reducing the reliance on human design. Our approach incorporates a deep learning-based estimator that predicts the appropriate components of a domain for a new task and a search algorithm that refines this prediction, reducing the size and ensuring the utility of the inferred domain. Our method is able to generate new domains from minimal demonstrations at test time, enabling robots to handle complex tasks more efficiently. We demonstrate that our approach outperforms behavior cloning baselines, which directly imitate planner behavior, in terms of planning performance and generalization across a variety of tasks. Additionally, our method reduces computational costs and data amount requirements at test time for inferring new planning domains.


Learning Molecular Representation in a Cell

arXiv.org Artificial Intelligence

Predicting drug efficacy and safety in vivo requires information on biological responses (e.g., cell morphology and gene expression) to small molecule perturbations. However, current molecular representation learning methods do not provide a comprehensive view of cell states under these perturbations and struggle to remove noise, hindering model generalization. We introduce the Information Alignment (InfoAlign) approach to learn molecular representations through the information bottleneck method in cells. We integrate molecules and cellular response data as nodes into a context graph, connecting them with weighted edges based on chemical, biological, and computational criteria. For each molecule in a training batch, InfoAlign optimizes the encoder's latent representation with a minimality objective to discard redundant structural information. A sufficiency objective decodes the representation to align with different feature spaces from the molecule's neighborhood in the context graph. We demonstrate that the proposed sufficiency objective for alignment is tighter than existing encoder-based contrastive methods.


Context-aware Adversarial Attack on Named Entity Recognition

arXiv.org Artificial Intelligence

In recent years, large pre-trained language models (PLMs) have achieved remarkable performance on many natural language processing benchmarks. Despite their success, prior studies have shown that PLMs are vulnerable to attacks from adversarial examples. In this work, we focus on the named entity recognition task and study context-aware adversarial attack methods to examine the model's robustness. Specifically, we propose perturbing the most informative words for recognizing entities to create adversarial examples and investigate different candidate replacement methods to generate natural and plausible adversarial examples. Experiments and analyses show that our methods are more effective in deceiving the model into making wrong predictions than strong baselines.


EasyDGL: Encode, Train and Interpret for Continuous-time Dynamic Graph Learning

arXiv.org Artificial Intelligence

Dynamic graphs arise in various real-world applications, and it is often welcomed to model the dynamics directly in continuous time domain for its flexibility. This paper aims to design an easy-to-use pipeline (termed as EasyDGL which is also due to its implementation by DGL toolkit) composed of three key modules with both strong fitting ability and interpretability. Specifically the proposed pipeline which involves encoding, training and interpreting: i) a temporal point process (TPP) modulated attention architecture to endow the continuous-time resolution with the coupled spatiotemporal dynamics of the observed graph with edge-addition events; ii) a principled loss composed of task-agnostic TPP posterior maximization based on observed events on the graph, and a task-aware loss with a masking strategy over dynamic graph, where the covered tasks include dynamic link prediction, dynamic node classification and node traffic forecasting; iii) interpretation of the model outputs (e.g., representations and predictions) with scalable perturbation-based quantitative analysis in the graph Fourier domain, which could more comprehensively reflect the behavior of the learned model. Extensive experimental results on public benchmarks show the superior performance of our EasyDGL for time-conditioned predictive tasks, and in particular demonstrate that EasyDGL can effectively quantify the predictive power of frequency content that a model learn from the evolving graph data.


Overparameterization from Computational Constraints

arXiv.org Artificial Intelligence

Overparameterized models with millions of parameters have been hugely successful. In this work, we ask: can the need for large models be, at least in part, due to the \emph{computational} limitations of the learner? Additionally, we ask, is this situation exacerbated for \emph{robust} learning? We show that this indeed could be the case. We show learning tasks for which computationally bounded learners need \emph{significantly more} model parameters than what information-theoretic learners need. Furthermore, we show that even more model parameters could be necessary for robust learning. In particular, for computationally bounded learners, we extend the recent result of Bubeck and Sellke [NeurIPS'2021] which shows that robust models might need more parameters, to the computational regime and show that bounded learners could provably need an even larger number of parameters. Then, we address the following related question: can we hope to remedy the situation for robust computationally bounded learning by restricting \emph{adversaries} to also be computationally bounded for sake of obtaining models with fewer parameters? Here again, we show that this could be possible. Specifically, building on the work of Garg, Jha, Mahloujifar, and Mahmoody [ALT'2020], we demonstrate a learning task that can be learned efficiently and robustly against a computationally bounded attacker, while to be robust against an information-theoretic attacker requires the learner to utilize significantly more parameters.