Uncertainty
Active Bayesian Causal Inference
Toth, Christian, Lorch, Lars, Knoll, Christian, Krause, Andreas, Pernkopf, Franz, Peharz, Robert, von Kügelgen, Julius
Causal discovery and causal reasoning are classically treated as separate and consecutive tasks: one first infers the causal graph, and then uses it to estimate causal effects of interventions. However, such a two-stage approach is uneconomical, especially in terms of actively collected interventional data, since the causal query of interest may not require a fully-specified causal model. From a Bayesian perspective, it is also unnatural, since a causal query (e.g., the causal graph or some causal effect) can be viewed as a latent quantity subject to posterior inference -- other unobserved quantities that are not of direct interest (e.g., the full causal model) ought to be marginalized out in this process and contribute to our epistemic uncertainty. In this work, we propose Active Bayesian Causal Inference (ABCI), a fully-Bayesian active learning framework for integrated causal discovery and reasoning, which jointly infers a posterior over causal models and queries of interest. In our approach to ABCI, we focus on the class of causally-sufficient, nonlinear additive noise models, which we model using Gaussian processes. We sequentially design experiments that are maximally informative about our target causal query, collect the corresponding interventional data, and update our beliefs to choose the next experiment. Through simulations, we demonstrate that our approach is more data-efficient than several baselines that only focus on learning the full causal graph. This allows us to accurately learn downstream causal queries from fewer samples while providing well-calibrated uncertainty estimates for the quantities of interest.
The Ultimate Beginners Guide to Fuzzy Logic in Python
Understand the basic theory and implement fuzzy systems with skfuzzy library! Fuzzy Logic is a technique that can be used to model the human reasoning process in computers. It can be applied to several areas, such as: industrial automation, medicine, marketing, home automation, among others. A classic example is the use in industrial equipments, which can have the temperature automatically adjusted as the equipment heats up or cools down. Other examples of equipments are: vacuum cleaners (adjustment of suction power according to the surface and level of dirt), dishwashers and clothes washing machines (adjustment of the amount of water and soap to use), digital cameras (automatic focus setting), air conditioning (temperature setting according to the environment), and microwave (power adjustment according to the type of food).
The cluster structure function
Cohen, Andrew R., Vitányi, Paul M. B.
For each partition of a data set into a given number of parts there is a partition such that every part is as much as possible a good model (an "algorithmic sufficient statistic") for the data in that part. Since this can be done for every number between one and the number of data, the result is a function, the cluster structure function. It maps the number of parts of a partition to values related to the deficiencies of being good models by the parts. Such a function starts with a value at least zero for no partition of the data set and descents to zero for the partition of the data set into singleton parts. The optimal clustering is the one chosen to minimize the cluster structure function. The theory behind the method is expressed in algorithmic information theory (Kolmogorov complexity). In practice the Kolmogorov complexities involved are approximated by a concrete compressor. We give examples using real data sets: the MNIST handwritten digits and the segmentation of real cells as used in stem cell research.
Multi-trainer Interactive Reinforcement Learning System
Guo, Zhaori, Norman, Timothy J., Gerding, Enrico H.
Interactive reinforcement learning can effectively facilitate the agent training via human feedback. However, such methods often require the human teacher to know what is the correct action that the agent should take. In other words, if the human teacher is not always reliable, then it will not be consistently able to guide the agent through its training. In this paper, we propose a more effective interactive reinforcement learning system by introducing multiple trainers, namely Multi-Trainer Interactive Reinforcement Learning (MTIRL), which could aggregate the binary feedback from multiple non-perfect trainers into a more reliable reward for an agent training in a reward-sparse environment. In particular, our trainer feedback aggregation experiments show that our aggregation method has the best accuracy when compared with the majority voting, the weighted voting, and the Bayesian method. Finally, we conduct a grid-world experiment to show that the policy trained by the MTIRL with the review model is closer to the optimal policy than that without a review model.
Generative Adversarial Learning for Trusted and Secure Clustering in Industrial Wireless Sensor Networks
Yang, Liu, Yang, Simon X., Li, Yun, Lu, Yinzhi, Guo, Tan
Traditional machine learning techniques have been widely used to establish the trust management systems. However, the scale of training dataset can significantly affect the security performances of the systems, while it is a great challenge to detect malicious nodes due to the absence of labeled data regarding novel attacks. To address this issue, this paper presents a generative adversarial network (GAN) based trust management mechanism for Industrial Wireless Sensor Networks (IWSNs). First, type-2 fuzzy logic is adopted to evaluate the reputation of sensor nodes while alleviating the uncertainty problem. Then, trust vectors are collected to train a GAN-based codec structure, which is used for further malicious node detection. Moreover, to avoid normal nodes being isolated from the network permanently due to error detections, a GAN-based trust redemption model is constructed to enhance the resilience of trust management. Based on the latest detection results, a trust model update method is developed to adapt to the dynamic industrial environment. The proposed trust management mechanism is finally applied to secure clustering for reliable and real-time data transmission, and simulation results show that it achieves a high detection rate up to 96%, as well as a low false positive rate below 8%.
First Hitting Diffusion Models for Generating Manifold, Graph and Categorical Data
Ye, Mao, Wu, Lemeng, Liu, Qiang
We propose a family of First Hitting Diffusion Models (FHDM), deep generative models that generate data with a diffusion process that terminates at a random first hitting time. This yields an extension of the standard fixed-time diffusion models that terminate at a pre-specified deterministic time. Although standard diffusion models are designed for continuous unconstrained data, FHDM is naturally designed to learn distributions on continuous as well as a range of discrete and structure domains. Moreover, FHDM enables instance-dependent terminate time and accelerates the diffusion process to sample higher quality data with fewer diffusion steps. Technically, we train FHDM by maximum likelihood estimation on diffusion trajectories augmented from observed data with conditional first hitting processes (i.e., bridge) derived based on Doob's $h$-transform, deviating from the commonly used time-reversal mechanism. We apply FHDM to generate data in various domains such as point cloud (general continuous distribution), climate and geographical events on earth (continuous distribution on the sphere), unweighted graphs (distribution of binary matrices), and segmentation maps of 2D images (high-dimensional categorical distribution). We observe considerable improvement compared with the state-of-the-art approaches in both quality and speed.
Accelerating Inhibitor Discovery With A Deep Generative Foundation Model: Validation for SARS-CoV-2 Drug Targets
Chenthamarakshan, Vijil, Hoffman, Samuel C., Owen, C. David, Lukacik, Petra, Strain-Damerell, Claire, Fearon, Daren, Malla, Tika R., Tumber, Anthony, Schofield, Christopher J., Duyvesteyn, Helen M. E., Dejnirattisai, Wanwisa, Carrique, Loic, Walter, Thomas S., Screaton, Gavin R., Matviiuk, Tetiana, Mojsilovic, Aleksandra, Crain, Jason, Walsh, Martin A., Stuart, David I., Das, Payel
The discovery of novel inhibitor molecules for emerging drug-target proteins is widely acknowledged as a challenging inverse design problem: Exhaustive exploration of the vast chemical search space is impractical, especially when the target structure or active molecules are unknown. Here we validate experimentally the broad utility of a deep generative framework trained at-scale on protein sequences, small molecules, and their mutual interactions -- that is unbiased toward any specific target. As demonstrators, we consider two dissimilar and relevant SARS-CoV-2 targets: the main protease and the spike protein (receptor binding domain, RBD). To perform target-aware design of novel inhibitor molecules, a protein sequence-conditioned sampling on the generative foundation model is performed. Despite using only the target sequence information, and without performing any target-specific adaptation of the generative model, micromolar-level inhibition was observed in in vitro experiments for two candidates out of only four synthesized for each target. The most potent spike RBD inhibitor also exhibited activity against several variants in live virus neutralization assays. These results therefore establish that a single, broadly deployable generative foundation model for accelerated hit discovery is effective and efficient, even in the most general case where neither target structure nor binder information is available.
Learning Skills from Demonstrations: A Trend from Motion Primitives to Experience Abstraction
Tavassoli, Mehrdad, Katyara, Sunny, Pozzi, Maria, Deshpande, Nikhil, Caldwell, Darwin G., Prattichizzo, Domenico
The uses of robots are changing from static environments in factories to encompass novel concepts such as Human-Robot Collaboration in unstructured settings. Pre-programming all the functionalities for robots becomes impractical, and hence, robots need to learn how to react to new events autonomously, just like humans. However, humans, unlike machines, are naturally skilled in responding to unexpected circumstances based on either experiences or observations. Hence, embedding such anthropoid behaviours into robots entails the development of neuro-cognitive models that emulate motor skills under a robot learning paradigm. Effective encoding of these skills is bound to the proper choice of tools and techniques. This paper studies different motion and behaviour learning methods ranging from Movement Primitives (MP) to Experience Abstraction (EA), applied to different robotic tasks. These methods are scrutinized and then experimentally benchmarked by reconstructing a standard pick-n-place task. Apart from providing a standard guideline for the selection of strategies and algorithms, this paper aims to draw a perspectives on their possible extensions and improvements
Bayesian Spline Learning for Equation Discovery of Nonlinear Dynamics with Quantified Uncertainty
Sun, Luning, Huang, Daniel Zhengyu, Sun, Hao, Wang, Jian-Xun
Nonlinear dynamics are ubiquitous in science and engineering applications, but the physics of most complex systems is far from being fully understood. Discovering interpretable governing equations from measurement data can help us understand and predict the behavior of complex dynamic systems. Although extensive work has recently been done in this field, robustly distilling explicit model forms from very sparse data with considerable noise remains intractable. Moreover, quantifying and propagating the uncertainty of the identified system from noisy data is challenging, and relevant literature is still limited. To bridge this gap, we develop a novel Bayesian spline learning framework to identify parsimonious governing equations of nonlinear (spatio)temporal dynamics from sparse, noisy data with quantified uncertainty. The proposed method utilizes spline basis to handle the data scarcity and measurement noise, upon which a group of derivatives can be accurately computed to form a library of candidate model terms. The equation residuals are used to inform the spline learning in a Bayesian manner, where approximate Bayesian uncertainty calibration techniques are employed to approximate posterior distributions of the trainable parameters. To promote the sparsity, an iterative sequential-threshold Bayesian learning approach is developed, using the alternative direction optimization strategy to systematically approximate L0 sparsity constraints. The proposed algorithm is evaluated on multiple nonlinear dynamical systems governed by canonical ordinary and partial differential equations, and the merit/superiority of the proposed method is demonstrated by comparison with state-of-the-art methods.
A Variational Perspective on Generative Flow Networks
Zimmermann, Heiko, Lindsten, Fredrik, van de Meent, Jan-Willem, Naesseth, Christian A.
Generative flow networks (GFNs) are a class of models for sequential sampling of composite objects, which approximate a target distribution that is defined in terms of an energy function or a reward. GFNs are typically trained using a flow matching or trajectory balance objective, which matches forward and backward transition models over trajectories. In this work, we define variational objectives for GFNs in terms of the Kullback-Leibler (KL) divergences between the forward and backward distribution. We show that variational inference in GFNs is equivalent to minimizing the trajectory balance objective when sampling trajectories from the forward model. We generalize this approach by optimizing a convex combination of the reverse- and forward KL divergence. This insight suggests variational inference methods can serve as a means to define a more general family of objectives for training generative flow networks, for example by incorporating control variates, which are commonly used in variational inference, to reduce the variance of the gradients of the trajectory balance objective. We evaluate our findings and the performance of the proposed variational objective numerically by comparing it to the trajectory balance objective on two synthetic tasks.