Autonomous agents acting in real-world environments often need to reason with unknown novelties interfering with their plan execution. Novelty is an unexpected phenomenon that can alter the core characteristics, composition, and dynamics of the environment. Novelty can occur at any time in any sufficiently complex environment without any prior notice or explanation. Previous studies show that novelty has catastrophic impact on agent performance. Intelligent agents reason with an internal model of the world to understand the intricacies of their environment and to successfully execute their plans. The introduction of novelty into the environment usually renders their internal model inaccurate and the generated plans no longer applicable. Novelty is particularly prevalent in the real world where domain-specific and even predicted novelty-specific approaches are used to mitigate the novelty's impact. In this work, we demonstrate that a domain-independent AI agent designed to detect, characterize, and accommodate novelty in smaller-scope physics-based games such as Angry Birds and Cartpole can be adapted to successfully perform and reason with novelty in realistic high-fidelity simulator of the military domain.
Recently, foundation models have been introduced demonstrating various tasks in the field of computer vision. These models such as Segment Anything Model (SAM) are generalized models trained using huge datasets. Currently, ongoing research focuses on exploring the effective utilization of these generalized models for specific domains, such as medical imaging. However, in medical imaging, the lack of training samples due to privacy concerns and other factors presents a major challenge for applying these generalized models to medical image segmentation task. To address this issue, the effective fine tuning of these models is crucial to ensure their optimal utilization. In this study, we propose to combine a complementary Convolutional Neural Network (CNN) along with the standard SAM network for medical image segmentation. To reduce the burden of fine tuning large foundation model and implement cost-efficient trainnig scheme, we focus only on fine-tuning the additional CNN network and SAM decoder part. This strategy significantly reduces trainnig time and achieves competitive results on publicly available dataset. The code is available at https://github.com/11yxk/SAM-LST.
Structure-based drug design (SBDD), which utilizes the three-dimensional geometry of proteins to identify potential drug candidates, is becoming increasingly vital in drug discovery. However, traditional methods based on physiochemical modeling and experts' domain knowledge are time-consuming and laborious. The recent advancements in geometric deep learning, which integrates and processes 3D geometric data, coupled with the availability of accurate protein 3D structure predictions from tools like AlphaFold, have significantly propelled progress in structure-based drug design. In this paper, we systematically review the recent progress of geometric deep learning for structure-based drug design. We start with a brief discussion of the mainstream tasks in structure-based drug design, commonly used 3D protein representations and representative predictive/generative models. Then we delve into detailed reviews for each task (binding site prediction, binding pose generation, \emph{de novo} molecule generation, linker design, and binding affinity prediction), including the problem setup, representative methods, datasets, and evaluation metrics. Finally, we conclude this survey with the current challenges and highlight potential opportunities of geometric deep learning for structure-based drug design.
Geometric deep learning has demonstrated a great potential in non-Euclidean data analysis. The incorporation of geometric insights into learning architecture is vital to its success. Here we propose a curvature-enhanced graph convolutional network (CGCN) for biomolecular interaction prediction, for the first time. Our CGCN employs Ollivier-Ricci curvature (ORC) to characterize network local structures and to enhance the learning capability of GCNs. More specifically, ORCs are evaluated based on the local topology from node neighborhoods, and further used as weights for the feature aggregation in message-passing procedure. Our CGCN model is extensively validated on fourteen real-world bimolecular interaction networks and a series of simulated data. It has been found that our CGCN can achieve the state-of-the-art results. It outperforms all existing models, as far as we know, in thirteen out of the fourteen real-world datasets and ranks as the second in the rest one. The results from the simulated data show that our CGCN model is superior to the traditional GCN models regardless of the positive-to-negativecurvature ratios, network densities, and network sizes (when larger than 500).
Recently, offline RL algorithms have been proposed that remain adaptive at runtime. For example, the LION algorithm \cite{lion} provides the user with an interface to set the trade-off between behavior cloning and optimality w.r.t. the estimated return at runtime. Experts can then use this interface to adapt the policy behavior according to their preferences and find a good trade-off between conservatism and performance optimization. Since expert time is precious, we extend the methodology with an autopilot that automatically finds the correct parameterization of the trade-off, yielding a new algorithm which we term AutoLION.
The abundance of information on social media has increased the necessity of accurate real-time rumour detection. Manual techniques of identifying and verifying fake news generated by AI tools are impracticable and time-consuming given the enormous volume of information generated every day. This has sparked an increase in interest in creating automated systems to find fake news on the Internet. The studies in this research demonstrate that the BERT and RobertA models with fine-tuning had the best success in detecting AI generated news. With a score of 98%, tweaked RobertA in particular showed excellent precision. In conclusion, this study has shown that neural networks can be used to identify bogus news AI generation news created by ChatGPT. The RobertA and BERT models' excellent performance indicates that these models can play a critical role in the fight against misinformation.
Deep neural network (DNN) models have become increasingly crucial components in intelligent software systems. However, training a DNN model is typically expensive in terms of both time and money. To address this issue, researchers have recently focused on reusing existing DNN models - borrowing the idea of code reuse in software engineering. However, reusing an entire model could cause extra overhead or inherits the weakness from the undesired functionalities. Hence, existing work proposes to decompose an already trained model into modules, i.e., modularizing-after-training, and enable module reuse. Since trained models are not built for modularization, modularizing-after-training incurs huge overhead and model accuracy loss. In this paper, we propose a novel approach that incorporates modularization into the model training process, i.e., modularizing-while-training (MwT). We train a model to be structurally modular through two loss functions that optimize intra-module cohesion and inter-module coupling. We have implemented the proposed approach for modularizing Convolutional Neural Network (CNN) models in this work. The evaluation results on representative models demonstrate that MwT outperforms the state-of-the-art approach. Specifically, the accuracy loss caused by MwT is only 1.13 percentage points, which is 1.76 percentage points less than that of the baseline. The kernel retention rate of the modules generated by MwT is only 14.58%, with a reduction of 74.31% over the state-of-the-art approach. Furthermore, the total time cost required for training and modularizing is only 108 minutes, half of the baseline.
Deep neural networks are superior to shallow networks in learning complex representations. As such, there is a fast-growing interest in utilizing them in large-scale settings. The training process of neural networks is already known to be time-consuming, and having a deep architecture only aggravates the issue. This process consists mostly of matrix operations, among which matrix multiplication is the bottleneck. Several sampling-based techniques have been proposed for speeding up the training time of deep neural networks by approximating the matrix products. These techniques fall under two categories: (i) sampling a subset of nodes in every hidden layer as active at every iteration and (ii) sampling a subset of nodes from the previous layer to approximate the current layer's activations using the edges from the sampled nodes. In both cases, the matrix products are computed using only the selected samples. In this paper, we evaluate the scalability of these approaches on CPU machines with limited computational resources. Making a connection between the two research directions as special cases of approximating matrix multiplications in the context of neural networks, we provide a negative theoretical analysis that shows feedforward approximation is an obstacle against scalability. We conduct comprehensive experimental evaluations that demonstrate the most pressing challenges and limitations associated with the studied approaches. We observe that the hashing-based node selection method is not scalable to a large number of layers, confirming our theoretical analysis. Finally, we identify directions for future research.
Many real-world offline reinforcement learning (RL) problems involve continuous-time environments with delays. Such environments are characterized by two distinctive features: firstly, the state x(t) is observed at irregular time intervals, and secondly, the current action a(t) only affects the future state x(t + g) with an unknown delay g > 0. A prime example of such an environment is satellite control where the communication link between earth and a satellite causes irregular observations and delays. Existing offline RL algorithms have achieved success in environments with irregularly observed states in time or known delays. However, environments involving both irregular observations in time and unknown delays remains an open and challenging problem. To this end, we propose Neural Laplace Control, a continuous-time model-based offline RL method that combines a Neural Laplace dynamics model with a model predictive control (MPC) planner--and is able to learn from an offline dataset sampled with irregular time intervals from an environment that has a inherent unknown constant delay. We show experimentally on continuous-time delayed environments it is able to achieve near expert policy performance.
As the reliability of the robot's perception correlates with the number of integrated sensing modalities to tackle uncertainty, a practical solution to manage these sensors from different computers, operate them simultaneously, and maintain their real-time performance on the existing robotic system with minimal effort is needed. In this work, we present an end-to-end software-hardware framework, namely ExtPerFC, that supports both conventional hardware and software components and integrates machine learning object detectors without requiring an additional dedicated graphic processor unit (GPU). We first design our framework to achieve real-time performance on the existing robotic system, guarantee configuration optimization, and concentrate on code reusability. We then mathematically model and utilize our transfer learning strategies for 2D object detection and fuse them into depth images for 3D depth estimation. Lastly, we systematically test the proposed framework on the Baxter robot with two 7-DOF arms, a four-wheel mobility base, and an Intel RealSense D435i RGB-D camera. The results show that the robot achieves real-time performance while executing other tasks (e.g., map building, localization, navigation, object detection, arm moving, and grasping) simultaneously with available hardware like Intel onboard CPUS/GPUs on distributed computers. Also, to comprehensively control, program, and monitor the robot system, we design and introduce an end-user application. The source code is available at https://github.com/tuantdang/perception_framework.