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Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patient care and contribute to efficient drug development. However, many existing computational methods require large amounts of known DDI information, which is scarce for emerging drugs. In this paper, we propose EmerGNN, a graph neural network (GNN) that can effectively predict interactions for emerging drugs by leveraging the rich information in biomedical networks. EmerGNN learns pairwise representations of drugs by extracting the paths between drug pairs, propagating information from one drug to the other, and incorporating the relevant biomedical concepts on the paths. The different edges on the biomedical network are weighted to indicate the relevance for the target DDI prediction. Overall, EmerGNN has higher accuracy than existing approaches in predicting interactions for emerging drugs and can identify the most relevant information on the biomedical network.

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IFIP TC13 Conference on Human-Computer Interaction是人機交互領域的研究者和實踐者展示其工作的重要平臺。多年來,這些會議吸引了來自幾個國家和文化的研究人員。官網鏈接: · Learning · Performer · 正則化項 · Performance ·
2024 年 1 月 9 日

Learning from demonstration (LfD) provides an efficient way to train robots. The learned motions should be convergent and stable, but to be truly effective in the real world, LfD-capable robots should also be able to remember multiple motion skills. Existing stable-LfD approaches lack the capability of multi-skill retention. Although recent work on continual-LfD has shown that hypernetwork-generated neural ordinary differential equation solvers (NODE) can learn multiple LfD tasks sequentially, this approach lacks stability guarantees. We propose an approach for stable continual-LfD in which a hypernetwork generates two networks: a trajectory learning dynamics model, and a trajectory stabilizing Lyapunov function. The introduction of stability generates convergent trajectories, but more importantly it also greatly improves continual learning performance, especially in the size-efficient chunked hypernetworks. With our approach, a single hypernetwork learns stable trajectories of the robot's end-effector position and orientation simultaneously, and does so continually for a sequence of real-world LfD tasks without retraining on past demonstrations. We also propose stochastic hypernetwork regularization with a single randomly sampled regularization term, which reduces the cumulative training time cost for N tasks from O$(N^2)$ to O$(N)$ without any loss in performance on real-world tasks. We empirically evaluate our approach on the popular LASA dataset, on high-dimensional extensions of LASA (including up to 32 dimensions) to assess scalability, and on a novel extended robotic task dataset (RoboTasks9) to assess real-world performance. In trajectory error metrics, stability metrics and continual learning metrics our approach performs favorably, compared to other baselines. Our open-source code and datasets are available at //github.com/sayantanauddy/clfd-snode.

The development of efficient exact and approximate algorithms for probabilistic inference is a long-standing goal of artificial intelligence research. Whereas substantial progress has been made in dealing with purely discrete or purely continuous domains, adapting the developed solutions to tackle hybrid domains, characterised by discrete and continuous variables and their relationships, is highly non-trivial. Weighted Model Integration (WMI) recently emerged as a unifying formalism for probabilistic inference in hybrid domains. Despite a considerable amount of recent work, allowing WMI algorithms to scale with the complexity of the hybrid problem is still a challenge. In this paper we highlight some substantial limitations of existing state-of-the-art solutions, and develop an algorithm that combines SMT-based enumeration, an efficient technique in formal verification, with an effective encoding of the problem structure. This allows our algorithm to avoid generating redundant models, resulting in drastic computational savings. Additionally, we show how SMT-based approaches can seamlessly deal with different integration techniques, both exact and approximate, significantly expanding the set of problems that can be tackled by WMI technology. An extensive experimental evaluation on both synthetic and real-world datasets confirms the substantial advantage of the proposed solution over existing alternatives. The application potential of this technology is further showcased on a prototypical task aimed at verifying the fairness of probabilistic programs.

Due to their ease of use and high accuracy, Word2Vec (W2V) word embeddings enjoy great success in the semantic representation of words, sentences, and whole documents as well as for semantic similarity estimation. However, they have the shortcoming that they are directly extracted from a surface representation, which does not adequately represent human thought processes and also performs poorly for highly ambiguous words. Therefore, we propose Semantic Concept Embeddings (CE) based on the MultiNet Semantic Network (SN) formalism, which addresses both shortcomings. The evaluation on a marketing target group distribution task showed that the accuracy of predicted target groups can be increased by combining traditional word embeddings with semantic CEs.

DEtection TRansformer (DETR) and its variants (DETRs) have been successfully applied to crowded pedestrian detection, which achieved promising performance. However, we find that, in different degrees of crowded scenes, the number of DETRs' queries must be adjusted manually, otherwise, the performance would degrade to varying degrees. In this paper, we first analyze the two current query generation methods and summarize four guidelines for designing the adaptive query generation method. Then, we propose Rank-based Adaptive Query Generation (RAQG) to alleviate the problem. Specifically, we design a rank prediction head that can predict the rank of the lowest confidence positive training sample produced by the encoder. Based on the predicted rank, we design an adaptive selection method that can adaptively select coarse detection results produced by the encoder to generate queries. Moreover, to train the rank prediction head better, we propose Soft Gradient L1 Loss. The gradient of Soft Gradient L1 Loss is continuous, which can describe the relationship between the loss value and the updated value of model parameters granularly. Our method is simple and effective, which can be plugged into any DETRs to make it query-adaptive in theory. The experimental results on Crowdhuman dataset and Citypersons dataset show that our method can adaptively generate queries for DETRs and achieve competitive results. Especially, our method achieves state-of-the-art 39.4% MR on Crowdhuman dataset.

We propose a margin-based loss for tuning joint vision-language models so that their gradient-based explanations are consistent with region-level annotations provided by humans for relatively smaller grounding datasets. We refer to this objective as Attention Mask Consistency (AMC) and demonstrate that it produces superior visual grounding results than previous methods that rely on using vision-language models to score the outputs of object detectors. Particularly, a model trained with AMC on top of standard vision-language modeling objectives obtains a state-of-the-art accuracy of 86.49% in the Flickr30k visual grounding benchmark, an absolute improvement of 5.38% when compared to the best previous model trained under the same level of supervision. Our approach also performs exceedingly well on established benchmarks for referring expression comprehension where it obtains 80.34% accuracy in the easy test of RefCOCO+, and 64.55% in the difficult split. AMC is effective, easy to implement, and is general as it can be adopted by any vision-language model, and can use any type of region annotations.

Adversarial attacks can generate adversarial inputs by applying small but intentionally worst-case perturbations to samples from the dataset, which leads to even state-of-the-art deep neural networks outputting incorrect answers with high confidence. Hence, some adversarial defense techniques are developed to improve the security and robustness of the models and avoid them being attacked. Gradually, a game-like competition between attackers and defenders formed, in which both players would attempt to play their best strategies against each other while maximizing their own payoffs. To solve the game, each player would choose an optimal strategy against the opponent based on the prediction of the opponent's strategy choice. In this work, we are on the defensive side to apply game-theoretic approaches on defending against attacks. We use two randomization methods, random initialization and stochastic activation pruning, to create diversity of networks. Furthermore, we use one denoising technique, super resolution, to improve models' robustness by preprocessing images before attacks. Our experimental results indicate that those three methods can effectively improve the robustness of deep-learning neural networks.

Understanding causality helps to structure interventions to achieve specific goals and enables predictions under interventions. With the growing importance of learning causal relationships, causal discovery tasks have transitioned from using traditional methods to infer potential causal structures from observational data to the field of pattern recognition involved in deep learning. The rapid accumulation of massive data promotes the emergence of causal search methods with brilliant scalability. Existing summaries of causal discovery methods mainly focus on traditional methods based on constraints, scores and FCMs, there is a lack of perfect sorting and elaboration for deep learning-based methods, also lacking some considers and exploration of causal discovery methods from the perspective of variable paradigms. Therefore, we divide the possible causal discovery tasks into three types according to the variable paradigm and give the definitions of the three tasks respectively, define and instantiate the relevant datasets for each task and the final causal model constructed at the same time, then reviews the main existing causal discovery methods for different tasks. Finally, we propose some roadmaps from different perspectives for the current research gaps in the field of causal discovery and point out future research directions.

Conventional entity typing approaches are based on independent classification paradigms, which make them difficult to recognize inter-dependent, long-tailed and fine-grained entity types. In this paper, we argue that the implicitly entailed extrinsic and intrinsic dependencies between labels can provide critical knowledge to tackle the above challenges. To this end, we propose \emph{Label Reasoning Network(LRN)}, which sequentially reasons fine-grained entity labels by discovering and exploiting label dependencies knowledge entailed in the data. Specifically, LRN utilizes an auto-regressive network to conduct deductive reasoning and a bipartite attribute graph to conduct inductive reasoning between labels, which can effectively model, learn and reason complex label dependencies in a sequence-to-set, end-to-end manner. Experiments show that LRN achieves the state-of-the-art performance on standard ultra fine-grained entity typing benchmarks, and can also resolve the long tail label problem effectively.

Most existing knowledge graphs suffer from incompleteness, which can be alleviated by inferring missing links based on known facts. One popular way to accomplish this is to generate low-dimensional embeddings of entities and relations, and use these to make inferences. ConvE, a recently proposed approach, applies convolutional filters on 2D reshapings of entity and relation embeddings in order to capture rich interactions between their components. However, the number of interactions that ConvE can capture is limited. In this paper, we analyze how increasing the number of these interactions affects link prediction performance, and utilize our observations to propose InteractE. InteractE is based on three key ideas -- feature permutation, a novel feature reshaping, and circular convolution. Through extensive experiments, we find that InteractE outperforms state-of-the-art convolutional link prediction baselines on FB15k-237. Further, InteractE achieves an MRR score that is 9%, 7.5%, and 23% better than ConvE on the FB15k-237, WN18RR and YAGO3-10 datasets respectively. The results validate our central hypothesis -- that increasing feature interaction is beneficial to link prediction performance. We make the source code of InteractE available to encourage reproducible research.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.

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