Literature-Based Discovery (LBD) aims to discover new scientific knowledge by mining papers and generating hypotheses. Standard LBD is limited to predicting pairwise relations between discrete concepts (e.g., drug-disease links), and ignores critical contexts like experimental settings (e.g., a specific patient population where a drug is evaluated) and background motivations (e.g., to find drugs without specific side effects). We address these limitations with a novel formulation of contextualized-LBD (C-LBD): generating scientific hypotheses in natural language, while grounding them in a context that controls the hypothesis search space. We present a modeling framework using retrieval of ``inspirations'' from past scientific papers. Our evaluations reveal that GPT-4 tends to generate ideas with overall low technical depth and novelty, while our inspiration prompting approaches partially mitigate this issue. Our work represents a first step toward building language models that generate new ideas derived from scientific literature.
This article presents a method for learning well-coordinated Human-Robot Interaction (HRI) from Human-Human Interactions (HHI). We devise a hybrid approach using Hidden Markov Models (HMMs) as the latent space priors for a Variational Autoencoder to model a joint distribution over the interacting agents. We leverage the interaction dynamics learned from HHI to learn HRI and incorporate the conditional generation of robot motions from human observations into the training, thereby predicting more accurate robot trajectories. The generated robot motions are further adapted with Inverse Kinematics to ensure the desired physical proximity with a human, combining the ease of joint space learning and accurate task space reachability. For contact-rich interactions, we modulate the robot's stiffness using HMM segmentation for a compliant interaction. We verify the effectiveness of our approach deployed on a Humanoid robot via a user study. Our method generalizes well to various humans despite being trained on data from just two humans. We find that Users perceive our method as more human-like, timely, and accurate and rank our method with a higher degree of preference over other baselines.
Free Content Websites (FCWs) are a significant element of the Web, and realizing their use is essential. This study analyzes FCWs worldwide by studying how they correlate with different network sizes, cloud service providers, and countries, depending on the type of content they offer. Additionally, we compare these findings with those of premium content websites (PCWs). Our analysis concluded that FCWs correlate mainly with networks of medium size, which are associated with a higher concentration of malicious websites. Moreover, we found a strong correlation between PCWs, cloud, and country hosting patterns. At the same time, some correlations were also observed concerning FCWs but with distinct patterns contrasting each other for both types. Our investigation contributes to comprehending the FCW ecosystem through correlation analysis, and the indicative results point toward controlling the potential risks caused by these sites through adequate segregation and filtering due to their concentration.
Modern research increasingly relies on automated methods to assist researchers. An example of this is Optical Chemical Structure Recognition (OCSR), which aids chemists in retrieving information about chemicals from large amounts of documents. Markush structures are chemical structures that cannot be parsed correctly by OCSR and cause errors. The focus of this research was to propose and test a novel method for classifying Markush structures. Within this method, a comparison was made between fixed-feature extraction and end-to-end learning (CNN). The end-to-end method performed significantly better than the fixed-feature method, achieving 0.928 (0.035 SD) Macro F1 compared to the fixed-feature method's 0.701 (0.052 SD). Because of the nature of the experiment, these figures are a lower bound and can be improved further. These results suggest that Markush structures can be filtered out effectively and accurately using the proposed method. When implemented into OCSR pipelines, this method can improve their performance and use to other researchers.
We study the theoretical aspects of Reinforced Language Models (RLMs) from a bi-objective optimization perspective. Specifically, we consider the RLMs as a Pareto optimization problem that maximizes the two conflicting objectives, i.e., reward objective and likelihood objectives, simultaneously. Our main contribution consists of three parts. First, we establish the theoretical foundations of RLM as a Pareto optimization problem by presenting Reward Upper BOund (RUBO) and Pareto optimality. Our theoretical outcomes are supported by not only deductive proofs but also empirical results. Second, we propose Reward Dropout, a simple yet powerful method that guarantees to improve a bi-objective optimization of RLM. Lastly, we demonstrate that the Reward Dropout is consistently effective across five benchmark datasets and four benchmark LLMs, meaning that the Reward Dropout significantly improves the optimization performance of RLMs.
We propose a novel approach for generalizing the following rigid-body dynamics algorithms: Recursive Newton-Euler Algorithm, Articulated-Body Algorithm, and Extended-Force-Propagator Algorithm. The classic versions of these recursive algorithms require systems to have an open chain structure. Dealing with closed-chains has, conventionally, required different algorithms. In this paper, we demonstrate that the classic recursive algorithms can be modified to work for closed-chain mechanisms. The critical insight of our generalized algorithms is the clustering of bodies involved in local loop constraints. Clustering bodies enables loop constraints to be resolved locally, i.e., only when that group of bodies is encountered during a forward or backward pass. This local treatment avoids the need for large-scale matrix factorization. We provide self-contained derivations of the algorithms using familiar, physically meaningful concepts. Overall, our approach provides a foundation for simulating robotic systems with traditionally difficult-to-simulate designs, such as geared motors, differential drives, and four-bar mechanisms. The performance of our library of algorithms is validated numerically in C++ on various modern legged robots: the MIT Mini Cheetah, the MIT Humanoid, the UIUC Tello Humanoid, and a modified version of the JVRC-1 Humanoid. Our algorithms are shown to outperform state-of-the-art algorithms for computing constrained rigid-body dynamics.
Human-in-the-loop aims to train an accurate prediction model with minimum cost by integrating human knowledge and experience. Humans can provide training data for machine learning applications and directly accomplish some tasks that are hard for computers in the pipeline with the help of machine-based approaches. In this paper, we survey existing works on human-in-the-loop from a data perspective and classify them into three categories with a progressive relationship: (1) the work of improving model performance from data processing, (2) the work of improving model performance through interventional model training, and (3) the design of the system independent human-in-the-loop. Using the above categorization, we summarize major approaches in the field, along with their technical strengths/ weaknesses, we have simple classification and discussion in natural language processing, computer vision, and others. Besides, we provide some open challenges and opportunities. This survey intends to provide a high-level summarization for human-in-the-loop and motivates interested readers to consider approaches for designing effective human-in-the-loop solutions.
We study the problem of incorporating prior knowledge into a deep Transformer-based model,i.e.,Bidirectional Encoder Representations from Transformers (BERT), to enhance its performance on semantic textual matching tasks. By probing and analyzing what BERT has already known when solving this task, we obtain better understanding of what task-specific knowledge BERT needs the most and where it is most needed. The analysis further motivates us to take a different approach than most existing works. Instead of using prior knowledge to create a new training task for fine-tuning BERT, we directly inject knowledge into BERT's multi-head attention mechanism. This leads us to a simple yet effective approach that enjoys fast training stage as it saves the model from training on additional data or tasks other than the main task. Extensive experiments demonstrate that the proposed knowledge-enhanced BERT is able to consistently improve semantic textual matching performance over the original BERT model, and the performance benefit is most salient when training data is scarce.
Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.
Reasoning with knowledge expressed in natural language and Knowledge Bases (KBs) is a major challenge for Artificial Intelligence, with applications in machine reading, dialogue, and question answering. General neural architectures that jointly learn representations and transformations of text are very data-inefficient, and it is hard to analyse their reasoning process. These issues are addressed by end-to-end differentiable reasoning systems such as Neural Theorem Provers (NTPs), although they can only be used with small-scale symbolic KBs. In this paper we first propose Greedy NTPs (GNTPs), an extension to NTPs addressing their complexity and scalability limitations, thus making them applicable to real-world datasets. This result is achieved by dynamically constructing the computation graph of NTPs and including only the most promising proof paths during inference, thus obtaining orders of magnitude more efficient models. Then, we propose a novel approach for jointly reasoning over KBs and textual mentions, by embedding logic facts and natural language sentences in a shared embedding space. We show that GNTPs perform on par with NTPs at a fraction of their cost while achieving competitive link prediction results on large datasets, providing explanations for predictions, and inducing interpretable models. Source code, datasets, and supplementary material are available online at //github.com/uclnlp/gntp.
Attention mechanism has been used as an ancillary means to help RNN or CNN. However, the Transformer (Vaswani et al., 2017) recently recorded the state-of-the-art performance in machine translation with a dramatic reduction in training time by solely using attention. Motivated by the Transformer, Directional Self Attention Network (Shen et al., 2017), a fully attention-based sentence encoder, was proposed. It showed good performance with various data by using forward and backward directional information in a sentence. But in their study, not considered at all was the distance between words, an important feature when learning the local dependency to help understand the context of input text. We propose Distance-based Self-Attention Network, which considers the word distance by using a simple distance mask in order to model the local dependency without losing the ability of modeling global dependency which attention has inherent. Our model shows good performance with NLI data, and it records the new state-of-the-art result with SNLI data. Additionally, we show that our model has a strength in long sentences or documents.