We introduce interactive structure discovery, a generic framework that encompasses many interactive learning settings, including active learning, top-k item identification, interactive drug discovery, and others. We adapt a recently developed active learning algorithm of Tosh and Dasgupta (2017) for interactive structure discovery, and show that the new algorithm can be made noise-tolerant and enjoys favorable query complexity bounds.
In this paper we investigate the problem of learning evolving concepts over a combinatorial structure. Previous work by Emamjomeh-Zadeh et al. [2020] introduced dynamics into interactive learning as a way to model non-static user preferences in clustering problems or recommender systems. We provide many useful contributions to this problem. First, we give a framework that captures both of the models analyzed by [Emamjomeh-Zadeh et al., 2020], which allows us to study any type of concept evolution and matches the same query complexity bounds and running time guarantees of the previous models. U…
Drug discovery aims at designing novel molecules with specific desired properties for clinical trials. Over past decades, drug discovery and development have been a costly and time consuming process. Driven by big chemical data and AI, deep generative models show great potential to accelerate the drug discovery process. Existing works investigate different deep generative frameworks for molecular generation, however, less attention has been paid to the visualization tools to quickly demo and evaluate model's results. Here, we propose a visualization framework which provides interactive visuali…
In this work, we consider how preference models in interactive recommendation systems determine the availability of content and users' opportunities for discovery. We propose an evaluation procedure based on stochastic reachability to quantify the maximum probability of recommending a target piece of content to an user for a set of allowable strategic modifications. This framework allows us to compute an upper bound on the likelihood of recommendation with minimal assumptions about user behavior. Stochastic reachability can be used to detect biases in the availability of content and diagnose l…
The traditional frequent pattern mining algorithms generate an exponentially large number of patterns of which a substantial proportion are not much significant for many data analysis endeavors. Discovery of a small number of personalized interesting patterns from the large output set according to a particular user's interest is an important as well as challenging task. Existing works on pattern summarization do not solve this problem from the personalization viewpoint. In this work, we propose an interactive pattern discovery framework named PRIIME which identifies a set of interesting patter…
Towards accelerating physical discovery via non-interactive and interactive multi-fidelity Bayesian Optimization: Current challenges and future opportunities
UT-Battelle, LLC（UT-Battelle有限责任公司）；U.S. Department of Energy（美国能源部）
Weakly-supervised learning (WSL) has shown promising results in addressing label scarcity on many NLP tasks, but manually designing a comprehensive, high-quality labeling rule set is tedious and difficult. We study interactive weakly-supervised learning -- the problem of iteratively and automatically discovering novel labeling rules from data to improve the WSL model. Our proposed model, named PRBoost, achieves this goal via iterative prompt-based rule discovery and model boosting. It uses boosting to identify large-error instances and then discovers candidate rules from them by prompting pre-…
PhysGym: Benchmarking LLMs in Interactive Physics Discovery with Controlled Priors
Center of Excellence for Generative AI, KAUST（生成人工智能卓越中心，KAUST）；The Swiss AI Lab, IDSIA-USI/SUPSI（瑞士人工智能实验室，IDSIA-USI/SUPSI）；NNAISENSE Principia-AI/PhysGym（NNAISENSE 原初人工智能/PhysGym）
Causal structure discovery (CSD) models are making inroads into several domains, including Earth system sciences. Their widespread adaptation is however hampered by the fact that the resulting models often do not take into account the domain knowledge of the experts and that it is often necessary to modify the resulting models iteratively. We present a workflow that is required to take this knowledge into account and to apply CSD algorithms in Earth system sciences. At the same time, we describe open research questions that still need to be addressed. We present a way to interactively modify t…
We show an essentially tight bound on the number of adaptively chosen statistical queries that a computationally efficient algorithm can answer accurately given $n$ samples from an unknown distribution. A statistical query asks for the expectation of a predicate over the underlying distribution, and an answer to a statistical query is accurate if it is "close" to the correct expectation over the distribution. This question was recently studied by Dwork et al., who showed how to answer $\tildeΩ(n^2)$ queries efficiently, and also by Hardt and Ullman, who showed that answering $\tilde{O}(n^3)$ q…
IBM Research Almaden（IBM阿尔马登研究院）；Harvard University School of Engineering and Applied Sciences（哈佛大学工程与应用科学学院）；Center for Research on Computation and Society（计算与社会研究中心）
We show that, under a standard hardness assumption, there is no computationally efficient algorithm that given $n$ samples from an unknown distribution can give valid answers to $n^{3+o(1)}$ adaptively chosen statistical queries. A statistical query asks for the expectation of a predicate over the underlying distribution, and an answer to a statistical query is valid if it is "close" to the correct expectation over the distribution. Our result stands in stark contrast to the well known fact that exponentially many statistical queries can be answered validly and efficiently if the queries are c…
Montreal Institute for Learning Algorithms（蒙特利尔学习算法研究所）
Concept discovery is one of the open problems in the interpretability literature that is important for bridging the gap between non-deep learning experts and model end-users. Among current formulations, concepts defines them by as a direction in a learned representation space. This definition makes it possible to evaluate whether a particular concept significantly influences classification decisions for classes of interest. However, finding relevant concepts is tedious, as representation spaces are high-dimensional and hard to navigate. Current approaches include hand-crafting concept datasets…
Binning (a.k.a. discretization) of numerically continuous measurements is a wide-spread but controversial practice in data collection, analysis, and presentation. The consequences of binning have been evaluated for many different kinds of data analysis methods, however so far the effect of binning on causal discovery algorithms has not been directly investigated. This paper reports the results of a simulation study that examined the effect of binning on the Greedy Equivalence Search (GES) causal discovery algorithm. Our findings suggest that unbinned continuous data often result in the highest…
ChemGymRL: An Interactive Framework for Reinforcement Learning for Digital Chemistry
University of Ottawa（渥太华大学）；University of Waterloo（滑铁卢大学）；National Research Council of Canada（加拿大国家研究委员会）；Vector Institute for Artificial Intelligence（矢量人工智能研究所）
本文提出ChemGymRL，一个基于Open AI Gym的开源强化学习交互式框架，通过一系列互联的虚拟化学实验台支持RL智能体训练，解决真实化学实验中数据密集且危险的问题，并验证了多种标准RL算法的性能。
University of Science and Technology of China（中国科学技术大学）；Baidu Research（百度研究院）；Baidu Inc.（百度公司）；Baidu Research USA（百度美国研究院）；Oregon State University（俄勒冈州立大学）；HWL Consulting LLC（HWL咨询有限责任公司）；Rutgers University（罗格斯大学）
Drug discovery often relies on the successful prediction of protein-ligand binding affinity. Recent advances have shown great promise in applying graph neural networks (GNNs) for better affinity prediction by learning the representations of protein-ligand complexes. However, existing solutions usually treat protein-ligand complexes as topological graph data, thus the biomolecular structural information is not fully utilized. The essential long-range interactions among atoms are also neglected in GNN models. To this end, we propose a structure-aware interactive graph neural network (SIGN) which…
Fraunhofer Institute for Applied Information Technology FIT（弗劳恩霍夫应用信息技术研究所（FIT））；RWTH Aachen University（亚琛工业大学）
Process discovery aims to learn a process model from observed process behavior. From a user's perspective, most discovery algorithms work like a black box. Besides parameter tuning, there is no interaction between the user and the algorithm. Interactive process discovery allows the user to exploit domain knowledge and to guide the discovery process. Previously, an incremental discovery approach has been introduced where a model, considered to be under construction, gets incrementally extended by user-selected process behavior. This paper introduces a novel approach that additionally allows the…
Machine learning algorithms often produce models considered as complex black-box models by both end users and developers. They fail to explain the model in terms of the domain they are designed for. The proposed Iterative Visual Logical Classifier (IVLC) is an interpretable machine learning algorithm that allows end users to design a model and classify data with more confidence and without having to compromise on the accuracy. Such technique is especially helpful when dealing with sensitive and crucial data like cancer data in the medical domain with high cost of errors. With the help of the p…
