Persistent-Transient Duality in Human Behavior Modeling

We propose to model the persistent-transient duality in human behavior using a parent-child multi-channel neural network, which features a parent persistent channel that manages the global dynamics and children transient channels that are initiated and terminated on-demand to handle detailed interactive actions. The short-lived transient sessions are managed by a proposed Transient Switch. The neural framework is trained to discover the structure of the duality automatically. Our model shows superior performances in human-object interaction motion prediction.

Learning to Transfer Role Assignment Across Team Sizes

Multi-agent reinforcement learning holds the key for solving complex tasks that demand the coordination of learning agents. However, strong coordination often leads to expensive exploration over the exponentially large state-action space. A powerful approach is to decompose team works into roles, which are ideally assigned to agents with the relevant skills. Training agents to adaptively choose and play emerging roles in a team thus allows the team to scale to complex tasks and quickly adapt to changing environments. These promises, however, have not been fully realised by current role-based multi-agent reinforcement learning methods as they assume either a pre-defined role structure or a fixed team size. We propose a framework to learn role assignment and transfer across team sizes. In particular, we train a role assignment network for small teams by demonstration and transfer the network to larger teams, which continue to learn through interaction with the environment. We demonstrate that re-using the role-based credit assignment structure can foster the learning process of larger reinforcement learning teams to achieve tasks requiring different roles. Our proposal outperforms competing techniques in enriched role-enforcing Prey-Predator games and in new scenarios in the StarCraft II Micro-Management benchmark.

Learning Theory of Mind via Dynamic Traits Attribution

Machine learning of Theory of Mind (ToM) is essential to build social agents that co-live with humans and other agents. This capacity, once acquired, will help machines infer the mental states of others from observed contextual action trajectories, enabling future prediction of goals, intention, actions and successor representations. The underlying mechanism for such a prediction remains unclear, however. Inspired by the observation that humans often infer the character traits of others, then use it to explain behaviour, we propose a new neural ToM architecture that learns to generate a latent trait vector of an actor from the past trajectories. This trait vector then multiplicatively modulates the prediction mechanism via a `fast weights' scheme in the prediction neural network, which reads the current context and predicts the behaviour. We empirically show that the fast weights provide a good inductive bias to model the character traits of agents and hence improves mindreading ability. On the indirect assessment of false-belief understanding, the new ToM model enables more efficient helping behaviours.

Towards Effective and Robust Neural Trojan Defenses via Input Filtering

Trojan attacks on deep neural networks are both dangerous and surreptitious. Over the past few years, Trojan attacks have advanced from using only a single input-agnostic trigger and targeting only one class to using multiple, input-specific triggers and targeting multiple classes. However, Trojan defenses have not caught up with this development. Most defense methods still make out-of-date assumptions about Trojan triggers and target classes, thus, can be easily circumvented by modern Trojan attacks. To deal with this problem, we propose two novel "filtering" defenses called Variational Input Filtering (VIF) and Adversarial Input Filtering (AIF) which leverage lossy data compression and adversarial learning respectively to effectively purify all potential Trojan triggers in the input at run time without making assumptions about the number of triggers/target classes or the input dependence property of triggers. In addition, we introduce a new defense mechanism called "Filtering-then-Contrasting" (FtC) which helps avoid the drop in classification accuracy on clean data caused by "filtering", and combine it with VIF/AIF to derive new defenses of this kind. Extensive experimental results and ablation studies show that our proposed defenses significantly outperform well-known baseline defenses in mitigating five advanced Trojan attacks including two recent state-of-the-art while being quite robust to small amounts of training data and large-norm triggers.

Learning to Discover Medicines

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high standard. Modern AI-enabled by powerful computing, large biomedical databases, and breakthroughs in deep learning-offers a new hope to break this loop as AI is rapidly maturing, ready to make a huge impact in the area. In this paper we review recent advances in AI methodologies that aim to crack this challenge. We organize the vast and rapidly growing literature of AI for drug discovery into three relatively stable sub-areas: (a) representation learning over molecular sequences and geometric graphs; (b) data-driven reasoning where we predict molecular properties and their binding, optimize existing compounds, generate de novo molecules, and plan the synthesis of target molecules; and (c) knowledge-based reasoning where we discuss the construction and reasoning over biomedical knowledge graphs. We will also identify open challenges and chart possible research directions for the years to come.

Mitigating cold start problems in drug-target affinity prediction with interaction knowledge transferring

Motivation: Predicting the drug-target interaction is crucial for drug discovery as well as drug repurposing. Machine learning is commonly used in drug-target affinity (DTA) problem. However, machine learning model faces the cold-start problem where the model performance drops when predicting the interaction of a novel drug or target. Previous works try to solve the cold start problem by learning the drug or target representation using unsupervised learning. While the drug or target representation can be learned in an unsupervised manner, it still lacks the interaction information, which is critical in drug-target interaction. Results: To incorporate the interaction information into the drug and protein interaction, we proposed using transfer learning from chemical-chemical interaction (CCI) and protein-protein interaction (PPI) task to drug-target interaction task. The representation learned by CCI and PPI tasks can be transferred smoothly to the DTA task due to the similar nature of the tasks. The result on the drug-target affinity datasets shows that our proposed method has advantages compared to other pretraining methods in the DTA task.

Model-Based Episodic Memory Induces Dynamic Hybrid Controls

Episodic control enables sample efficiency in reinforcement learning by recalling past experiences from an episodic memory. We propose a new model-based episodic memory of trajectories addressing current limitations of episodic control. Our memory estimates trajectory values, guiding the agent towards good policies. Built upon the memory, we construct a complementary learning model via a dynamic hybrid control unifying model-based, episodic and habitual learning into a single architecture. Experiments demonstrate that our model allows significantly faster and better learning than other strong reinforcement learning agents across a variety of environments including stochastic and non-Markovian settings.

Balanced Q-learning: Combining the Influence of Optimistic and Pessimistic Targets

The optimistic nature of the Q-learning target leads to an overestimation bias, which is an inherent problem associated with standard $Q-$learning. Such a bias fails to account for the possibility of low returns, particularly in risky scenarios. However, the existence of biases, whether overestimation or underestimation, need not necessarily be undesirable. In this paper, we analytically examine the utility of biased learning, and show that specific types of biases may be preferable, depending on the scenario. Based on this finding, we design a novel reinforcement learning algorithm, Balanced Q-learning, in which the target is modified to be a convex combination of a pessimistic and an optimistic term, whose associated weights are determined online, analytically. We prove the convergence of this algorithm in a tabular setting, and empirically demonstrate its superior learning performance in various environments.

Clustering by Maximizing Mutual Information Across Views

We propose a novel framework for image clustering that incorporates joint representation learning and clustering. Our method consists of two heads that share the same backbone network - a "representation learning" head and a "clustering" head. The "representation learning" head captures fine-grained patterns of objects at the instance level which serve as clues for the "clustering" head to extract coarse-grain information that separates objects into clusters. The whole model is trained in an end-to-end manner by minimizing the weighted sum of two sample-oriented contrastive losses applied to the outputs of the two heads. To ensure that the contrastive loss corresponding to the "clustering" head is optimal, we introduce a novel critic function called "log-of-dot-product". Extensive experimental results demonstrate that our method significantly outperforms state-of-the-art single-stage clustering methods across a variety of image datasets, improving over the best baseline by about 5-7% in accuracy on CIFAR10/20, STL10, and ImageNet-Dogs. Further, the "two-stage" variant of our method also achieves better results than baselines on three challenging ImageNet subsets.