An Empirical Study of Excitation and Aggregation Design Adaptions in CLIP4Clip for Video-Text Retrieval

CLIP4Clip model transferred from the CLIP has been the de-factor standard to solve the video clip retrieval task from frame-level input, triggering the surge of CLIP4Clip-based models in the video-text retrieval domain. In this work, we rethink the inherent limitation of widely-used mean pooling operation in the frame features aggregation and investigate the adaptions of excitation and aggregation design for discriminative video representation generation. We present a novel excitationand-aggregation design, including (1) The excitation module is available for capturing non-mutuallyexclusive relationships among frame features and achieving frame-wise features recalibration, and (2) The aggregation module is applied to learn exclusiveness used for frame representations aggregation. Similarly, we employ the cascade of sequential module and aggregation design to generate discriminative video representation in the sequential type. Besides, we adopt the excitation design in the tight type to obtain representative frame features for multi-modal interaction. The proposed modules are evaluated on three benchmark datasets of MSR-VTT, ActivityNet and DiDeMo, achieving MSR-VTT (43.9 R@1), ActivityNet (44.1 R@1) and DiDeMo (31.0 R@1). They outperform the CLIP4Clip results by +1.2% (+0.5%), +4.5% (+1.9%) and +9.5% (+2.7%) relative (absolute) improvements, demonstrating the superiority of our proposed excitation and aggregation designs. We hope our work will serve as an alternative for frame representations aggregation and facilitate future research.

The Graph Convolutional Network with Multi-representation Alignment for Drug Synergy Prediction

Drug combination refers to the use of two or more drugs to treat a specific disease at the same time. It is currently the mainstream way to treat complex diseases. Compared with single drugs, drug combinations have better efficacy and can better inhibit toxicity and drug resistance. The computational model based on deep learning concatenates the representation of multiple drugs and the corresponding cell line feature as input, and the output is whether the drug combination can have an inhibitory effect on the cell line. However, this strategy of concatenating multiple representations has the following defects: the alignment of drug representation and cell line representation is ignored, resulting in the synergistic relationship not being reflected positionally in the embedding space. Moreover, the alignment measurement function in deep learning cannot be suitable for drug synergy prediction tasks due to differences in input types. Therefore, in this work, we propose a graph convolutional network with multi-representation alignment (GCNMRA) for predicting drug synergy. In the GCNMRA model, we designed a multi-representation alignment function suitable for the drug synergy prediction task so that the positional relationship between drug representations and cell line representation is reflected in the embedding space. In addition, the vector modulus of drug representations and cell line representation is considered to improve the accuracy of calculation results and accelerate model convergence. Finally, many relevant experiments were run on multiple drug synergy datasets to verify the effectiveness of the above innovative elements and the excellence of the GCNMRA model.

GraphCL-DTA: a graph contrastive learning with molecular semantics for drug-target binding affinity prediction

Drug-target binding affinity prediction plays an important role in the early stages of drug discovery, which can infer the strength of interactions between new drugs and new targets. However, the performance of previous computational models is limited by the following drawbacks. The learning of drug representation relies only on supervised data, without taking into account the information contained in the molecular graph itself. Moreover, most previous studies tended to design complicated representation learning module, while uniformity, which is used to measure representation quality, is ignored. In this study, we propose GraphCL-DTA, a graph contrastive learning with molecular semantics for drug-target binding affinity prediction. In GraphCL-DTA, we design a graph contrastive learning framework for molecular graphs to learn drug representations, so that the semantics of molecular graphs are preserved. Through this graph contrastive framework, a more essential and effective drug representation can be learned without additional supervised data. Next, we design a new loss function that can be directly used to smoothly adjust the uniformity of drug and target representations. By directly optimizing the uniformity of representations, the representation quality of drugs and targets can be improved. The effectiveness of the above innovative elements is verified on two real datasets, KIBA and Davis. The excellent performance of GraphCL-DTA on the above datasets suggests its superiority to the state-of-the-art model.

Neural Observer with Lyapunov Stability Guarantee for Uncertain Nonlinear Systems

In this paper, we propose a novel nonlinear observer, called the neural observer, for observation tasks of linear time-invariant (LTI) systems and uncertain nonlinear systems by introducing the neural network (NN) into the design of observers. By exploring the method of NN representation to the NN mapping vector, we derive stability analyses (e.g., exponential convergence rate) of LTI and uncertain nonlinear systems that pave the way to solve observation problems using linear matrix inequalities (LMIs) only. Remarkably, the neural observer designed for uncertain systems is based on the ideology of the active disturbance rejection control (ADRC), which can measure the uncertainty in real-time. The LMI results are also significant since we reveal that the observability and controllability of system matrices are required for the existence of solutions of LMIs. Finally, we verify the availability of neural observers on three simulation cases, including the X-29A aircraft model, the nonlinear pendulum, and the four-wheel steering vehicle.

Self-supervised Learning for Label Sparsity in Computational Drug Repositioning

The computational drug repositioning aims to discover new uses for marketed drugs, which can accelerate the drug development process and play an important role in the existing drug discovery system. However, the number of validated drug-disease associations is scarce compared to the number of drugs and diseases in the real world. Too few labeled samples will make the classification model unable to learn effective latent factors of drugs, resulting in poor generalization performance. In this work, we propose a multi-task self-supervised learning framework for computational drug repositioning. The framework tackles label sparsity by learning a better drug representation. Specifically, we take the drug-disease association prediction problem as the main task, and the auxiliary task is to use data augmentation strategies and contrast learning to mine the internal relationships of the original drug features, so as to automatically learn a better drug representation without supervised labels. And through joint training, it is ensured that the auxiliary task can improve the prediction accuracy of the main task. More precisely, the auxiliary task improves drug representation and serving as additional regularization to improve generalization. Furthermore, we design a multi-input decoding network to improve the reconstruction ability of the autoencoder model. We evaluate our model using three real-world datasets. The experimental results demonstrate the effectiveness of the multi-task self-supervised learning framework, and its predictive ability is superior to the state-of-the-art model.

The Computational Drug Repositioning without Negative Sampling

Computational drug repositioning technology is an effective tool to accelerate drug development. Although this technique has been widely used and successful in recent decades, many existing models still suffer from multiple drawbacks such as the massive number of unvalidated drug-disease associations and inner product in the matrix factorization model. The limitations of these works are mainly due to the following two reasons: first, previous works used negative sampling techniques to treat unvalidated drug-disease associations as negative samples, which is invalid in real-world settings; Second, the inner product lacks modeling on the crossover information between dimensions of the latent factor. In this paper, we propose a novel PUON framework for addressing the above deficiencies, which models the joint distribution of drug-disease associations using validated and unvalidated drug-disease associations without employing negative sampling techniques. The PUON also modeled the cross-information of the latent factor of drugs and diseases using the outer product operation. For a comprehensive comparison, we considered 7 popular baselines. Extensive experiments in two real-world datasets showed that PUON achieved the best performance based on 6 popular evaluation metrics.

TGK-Planner: An Efficient Topology Guided Kinodynamic Planner for Autonomous Quadrotors

In this paper, we propose a lightweight yet effective quadrotor planning system for aggressive flights with limited onboard computing resources. The proposed system follows the traditional hierarchical planning workflow, with novel designs to improve the robustness and efficiency in both the pathfinding and trajectory optimization sub-modules. Firstly, we propose the topology guided graph, which roughly captures the topological structure of the environment and guides the state sampling of a sampling-based kinodynamic planner. In this way, we significantly improve the efficiency of finding a safe and dynamically feasible trajectory. Then, we refine the smoothness and continuity of the trajectory in an optimization framework, which incorporates the homotopy constraint to guarantee the safety of the trajectory. The optimization program is formulated as a sequence of quadratic programmings (QPs) and can be iteratively solved in a few milliseconds. Finally, the proposed system is integrated into a fully autonomous quadrotor and validated in various simulated and real-world scenarios. Benchmark comparisons show that our method outperforms state-of-the-art methods with regard to efficiency and trajectory quality. Moreover, we will release our code as an open-source package.

Alternating Minimization Based Trajectory Generation for Quadrotor Aggressive Flight

With much research has been conducted into trajectory planning for quadrotors, planning with spatial and temporal optimal trajectories in real-time is still challenging. In this paper, we propose a framework for generating large-scale piecewise polynomial trajectories for aggressive autonomous flights, with highlights on its superior computational efficiency and simultaneous spatial-temporal optimality. Exploiting the implicitly decoupled structure of the planning problem, we conduct alternating minimization between boundary conditions and time durations of trajectory pieces. In each minimization phase, we leverage the algebraic convenience of the sub-problem to escape poor local minima and achieve the lowest time consumption. Theoretical analysis for the global/local convergence rate of our proposed method is provided. Moreover, based on polynomial theory, an extremely fast feasibility check method is designed for various kinds of constraints. By incorporating the method into our alternating structure, a constrained minimization algorithm is constructed to optimize trajectories on the premise of feasibility. Benchmark evaluation shows that our algorithm outperforms state-of-the-art methods regarding efficiency, optimality, and scalability. Aggressive flight experiments in a limited space with dense obstacles are presented to demonstrate the performance of the proposed algorithm. We release our implementation as an open-source ros-package.

Fidelity-based Probabilistic Q-learning for Control of Quantum Systems

The balance between exploration and exploitation is a key problem for reinforcement learning methods, especially for Q-learning. In this paper, a fidelity-based probabilistic Q-learning (FPQL) approach is presented to naturally solve this problem and applied for learning control of quantum systems. In this approach, fidelity is adopted to help direct the learning process and the probability of each action to be selected at a certain state is updated iteratively along with the learning process, which leads to a natural exploration strategy instead of a pointed one with configured parameters. A probabilistic Q-learning (PQL) algorithm is first presented to demonstrate the basic idea of probabilistic action selection. Then the FPQL algorithm is presented for learning control of quantum systems. Two examples (a spin- 1/2 system and a lamda-type atomic system) are demonstrated to test the performance of the FPQL algorithm. The results show that FPQL algorithms attain a better balance between exploration and exploitation, and can also avoid local optimal policies and accelerate the learning process.