The graph structure of biomedical data differs from those in typical knowledge graph benchmark tasks. A particular property of biomedical data is the presence of long-range dependencies, which can be captured by patterns described as logical rules. We propose a novel method that combines these rules with a neural multi-hop reasoning approach that uses reinforcement learning. We conduct an empirical study based on the real-world task of drug repurposing by formulating this task as a link prediction problem. We apply our method to the biomedical knowledge graph Hetionet and show that our approach outperforms several baseline methods.

Although few-shot learning and one-class classification (OCC), i.e. learning a binary classifier with data from only one class, have been separately well studied, their intersection remains rather unexplored. Our work addresses the few-shot OCC problem and presents a method to modify the episodic data sampling strategy of the model-agnostic meta-learning (MAML) algorithm to learn a model initialization particularly suited for learning few-shot OCC tasks. This is done by explicitly optimizing for an initialization which only requires few gradient steps with one-class minibatches to yield a performance increase on class-balanced test data. We provide a theoretical analysis that explains why our approach works in the few-shot OCC scenario, while other meta-learning algorithms, including MAML, fail. Our experiments on eight datasets from the image and time-series domains show that our method leads to higher results than classical OCC and few-shot classification approaches, and demonstrate the ability to learn unseen tasks from only few normal class samples. Moreover, we successfully train anomaly detectors for a real-world application on sensor readings recorded during industrial manufacturing of workpieces with a CNC milling machine using few normal examples. Finally, we empirically demonstrate that the proposed data sampling technique increases the performance of more recent meta-learning algorithms in few-shot OCC.

Randomized controlled trials typically analyze the effectiveness of treatments with the goal of making treatment recommendations for patient subgroups. With the advance of electronic health records, a great variety of data has been collected in clinical practice, enabling the evaluation of treatments and treatment policies based on observational data. In this paper, we focus on learning individualized treatment rules (ITRs) to derive a treatment policy that is expected to generate a better outcome for an individual patient. In our framework, we cast ITRs learning as a contextual bandit problem and minimize the expected risk of the treatment policy. We conduct experiments with the proposed framework both in a simulation study and based on a real-world dataset. In the latter case, we apply our proposed method to learn the optimal ITRs for the administration of intravenous (IV) fluids and vasopressors (VP). Based on various offline evaluation methods, we could show that the policy derived in our framework demonstrates better performance compared to both the physicians and other baselines, including a simple treatment prediction approach. As a long-term goal, our derived policy might eventually lead to better clinical guidelines for the administration of IV and VP.

Visual question answering is concerned with answering free-form questions about an image. Since it requires a deep linguistic understanding of the question and the ability to associate it with various objects that are present in the image, it is an ambitious task and requires techniques from both computer vision and natural language processing. We propose a novel method that approaches the task by performing context-driven, sequential reasoning based on the objects and their semantic and spatial relationships present in the scene. As a first step, we derive a scene graph which describes the objects in the image, as well as their attributes and their mutual relationships. A reinforcement agent then learns to autonomously navigate over the extracted scene graph to generate paths, which are then the basis for deriving answers. We conduct a first experimental study on the challenging GQA dataset with manually curated scene graphs, where our method almost reaches the level of human performance.

The interpretation of black-box models has been investigated in recent years. A number of model-aware saliency methods were proposed to explain individual classification decisions by creating saliency maps. However, they are not applicable when the parameters and the gradients of the underlying models are unavailable. Recently, model-agnostic methods have received increased attention. As one of them, Prediction Difference Analysis (PDA), a probabilistic sound methodology, was proposed. In this work, we first show that PDA can suffer from saturated classifiers. The saturation phenomenon of classifiers exists widely in current neural network-based classifiers. To understand the decisions of saturated classifiers better, we further propose Contextual PDA, which runs hundreds of times faster than PDA. The experiments show the superiority of our method by explaining image classifications of the state-of-the-art deep convolutional neural networks. We also apply our method to commercial general vision recognition systems.

In Multi-Goal Reinforcement Learning, an agent learns to achieve multiple goals with a goal-conditioned policy. During learning, the agent first collects the trajectories into a replay buffer, and later these trajectories are selected randomly for replay. However, the achieved goals in the replay buffer are often biased towards the behavior policies. From a Bayesian perspective, when there is no prior knowledge about the target goal distribution, the agent should learn uniformly from diverse achieved goals. Therefore, we first propose a novel multi-goal RL objective based on weighted entropy. This objective encourages the agent to maximize the expected return, as well as to achieve more diverse goals. Secondly, we developed a maximum entropy-based prioritization framework to optimize the proposed objective. For evaluation of this framework, we combine it with Deep Deterministic Policy Gradient, both with or without Hindsight Experience Replay. On a set of multi-goal robotic tasks of OpenAI Gym, we compare our method with other baselines and show promising improvements in both performance and sample-efficiency.

State of the art visual relation detection methods have been relying on features extracted from RGB images including objects' 2D positions. In this paper, we argue that the 3D positions of objects in space can provide additional valuable information about object relations. This information helps not only to detect spatial relations, such as "standing behind", but also non-spatial relations, such as "holding". Since 3D information of a scene is not easily accessible, we propose incorporating a pre-trained RGB-to-Depth model within visual relation detection frameworks. We discuss different feature extraction strategies from depth maps and show their critical role in relation detection. Our experiments confirm that the performance of state-of-the-art visual relation detection approaches can significantly be improved by utilizing depth map information.

This paper is concerned with the training of recurrent neural networks as goal-oriented dialog agents using reinforcement learning. Training such agents with policy gradients typically requires a large amount of samples. However, the collection of the required data in form of conversations between chat-bots and human agents is time-consuming and expensive. To mitigate this problem, we describe an efficient policy gradient method using positive memory retention, which significantly increases the sample-efficiency. We show that our method is 10 times more sample-efficient than policy gradients in extensive experiments on a new synthetic number guessing game. Moreover, in a real-word visual object discovery game, the proposed method is twice as sample-efficient as policy gradients and shows state-of-the-art performance.

In Reinforcement Learning (RL), an agent explores the environment and collects trajectories into the memory buffer for later learning. However, the collected trajectories can easily be imbalanced with respect to the achieved goal states. The problem of learning from imbalanced data is a well-known problem in supervised learning, but has not yet been thoroughly researched in RL. To address this problem, we propose a novel Curiosity-Driven Prioritization (CDP) framework to encourage the agent to over-sample those trajectories that have rare achieved goal states. The CDP framework mimics the human learning process and focuses more on relatively uncommon events. We evaluate our methods using the robotic environment provided by OpenAI Gym. The environment contains six robot manipulation tasks. In our experiments, we combined CDP with Deep Deterministic Policy Gradient (DDPG) with or without Hindsight Experience Replay (HER). The experimental results show that CDP improves both performance and sample-efficiency of reinforcement learning agents, compared to state-of-the-art methods.

In this work, we propose the first quantum Ans\"atze for the statistical relational learning on knowledge graphs using parametric quantum circuits. We introduce two types of variational quantum circuits for knowledge graph embedding. Inspired by the classical representation learning, we first consider latent features for entities as coefficients of quantum states, while predicates are characterized by parametric gates acting on the quantum states. For the first model, the quantum advantages disappear when it comes to the optimization of this model. Therefore, we introduce a second quantum circuit model where embeddings of entities are generated from parameterized quantum gates acting on the pure quantum state. The benefit of the second method is that the quantum embeddings can be trained efficiently meanwhile preserving the quantum advantages. We show the proposed methods can achieve comparable results to the state-of-the-art classical models, e.g., RESCAL, DistMult. Furthermore, after optimizing the models, the complexity of inductive inference on the knowledge graphs might be reduced with respect to the number of entities.