The disruptive technology provided by large-scale pre-trained language models (LLMs) such as ChatGPT or GPT-4 has received significant attention in several application domains, often with an emphasis on high-level opportunities and concerns. This paper is the first examination regarding the use of LLMs for scientific simulations. We focus on four modeling and simulation tasks, each time assessing the expected benefits and limitations of LLMs while providing practical guidance for modelers regarding the steps involved. The first task is devoted to explaining the structure of a conceptual model to promote the engagement of participants in the modeling process. The second task focuses on summarizing simulation outputs, so that model users can identify a preferred scenario. The third task seeks to broaden accessibility to simulation platforms by conveying the insights of simulation visualizations via text. Finally, the last task evokes the possibility of explaining simulation errors and providing guidance to resolve them.
The common standard for quality evaluation of automatic speech recognition (ASR) systems is reference-based metrics such as the Word Error Rate (WER), computed using manual ground-truth transcriptions that are time-consuming and expensive to obtain. This work proposes a multi-language referenceless quality metric, which allows comparing the performance of different ASR models on a speech dataset without ground truth transcriptions. To estimate the quality of ASR hypotheses, a pre-trained language model (LM) is fine-tuned with contrastive learning in a self-supervised learning manner. In experiments conducted on several unseen test datasets consisting of outputs from top commercial ASR engines in various languages, the proposed referenceless metric obtains a much higher correlation with WER scores and their ranks than the perplexity metric from the state-of-art multi-lingual LM in all experiments, and also reduces WER by more than $7\%$ when used for ensembling hypotheses. The fine-tuned model and experiments are made available for the reproducibility: https://github.com/aixplain/NoRefER
Rapid and accurate building damage assessments from high-resolution satellite imagery following a natural disaster is essential to inform and optimize first responder efforts. However, performing such building damage assessments in an automated manner is non-trivial due to the challenges posed by variations in disaster-specific damage, diversity in satellite imagery, and the dearth of extensive, labeled datasets. To circumvent these issues, this paper introduces a human-in-the-loop workflow for rapidly training building damage assessment models after a natural disaster. This article details a case study using this workflow, executed in partnership with the American Red Cross during a tornado event in Rolling Fork, Mississippi in March, 2023. The output from our human-in-the-loop modeling process achieved a precision of 0.86 and recall of 0.80 for damaged buildings when compared to ground truth data collected post-disaster. This workflow was implemented end-to-end in under 2 hours per satellite imagery scene, highlighting its potential for real-time deployment.
The problem of learning a computational model from examples has been receiving growing attention. Models of distributed systems are particularly challenging since they encompass an added succinctness. While positive results for learning some models of distributed systems have been obtained, so far the considered models assume a fixed number of processes interact. In this work we look for the first time (to the best of our knowledge) at the problem of learning a distributed system with an arbitrary number of processes, assuming only that there exists a cutoff. Specifically, we consider fine broadcast protocols, these are broadcast protocols (BPs) with a finite cutoff and no hidden states. We provide a learning algorithm that given a sample consistent with a fine BP, can infer a correct BP, with the help of an SMT solver. Moreover we show that the class of fine BPs is teachable, meaning that we can associate a finite set of words $\mathcal{S}_B$ with each BP $B$ in the class (a so-called characteristic set) so that the provided learning algorithm can correctly infer a correct BP from any consistent sample subsuming $\mathcal{S}_B$. On the negative size we show that (a) characteristic sets of exponential size are unavoidable, (b) the consistency problem for fine BPs is NP hard, and (c) fine BPs are not polynomially predictable.
Natural Language Processing (NLP) domain is experiencing a revolution due to the capabilities of Pre-trained Large Language Models ( LLMs), fueled by ground-breaking Transformers architecture, resulting into unprecedented advancements. Their exceptional aptitude for assessing probability distributions of text sequences is the primary catalyst for outstanding improvement of both the precision and efficiency of NLP models. This paper introduces for the first time SecurityLLM, a pre-trained language model designed for cybersecurity threats detection. The SecurityLLM model is articulated around two key generative elements: SecurityBERT and FalconLLM. SecurityBERT operates as a cyber threat detection mechanism, while FalconLLM is an incident response and recovery system. To the best of our knowledge, SecurityBERT represents the inaugural application of BERT in cyber threat detection. Despite the unique nature of the input data and features, such as the reduced significance of syntactic structures in content classification, the suitability of BERT for this duty demonstrates unexpected potential, thanks to our pioneering study. We reveal that a simple classification model, created from scratch, and consolidated with LLMs, exceeds the performance of established traditional Machine Learning (ML) and Deep Learning (DL) methods in cyber threat detection, like Convolutional Neural Networks (CNN) or Recurrent Neural Networks (RNN). The experimental analysis, conducted using a collected cybersecurity dataset, proves that our SecurityLLM model can identify fourteen (14) different types of attacks with an overall accuracy of 98%
Food effect summarization from New Drug Application (NDA) is an essential component of product-specific guidance (PSG) development and assessment. However, manual summarization of food effect from extensive drug application review documents is time-consuming, which arouses a need to develop automated methods. Recent advances in large language models (LLMs) such as ChatGPT and GPT-4, have demonstrated great potential in improving the effectiveness of automated text summarization, but its ability regarding the accuracy in summarizing food effect for PSG assessment remains unclear. In this study, we introduce a simple yet effective approach, iterative prompting, which allows one to interact with ChatGPT or GPT-4 more effectively and efficiently through multi-turn interaction. Specifically, we propose a three-turn iterative prompting approach to food effect summarization in which the keyword-focused and length-controlled prompts are respectively provided in consecutive turns to refine the quality of the generated summary. We conduct a series of extensive evaluations, ranging from automated metrics to FDA professionals and even evaluation by GPT-4, on 100 NDA review documents selected over the past five years. We observe that the summary quality is progressively improved throughout the process. Moreover, we find that GPT-4 performs better than ChatGPT, as evaluated by FDA professionals (43% vs. 12%) and GPT-4 (64% vs. 35%). Importantly, all the FDA professionals unanimously rated that 85% of the summaries generated by GPT-4 are factually consistent with the golden reference summary, a finding further supported by GPT-4 rating of 72% consistency. These results strongly suggest a great potential for GPT-4 to draft food effect summaries that could be reviewed by FDA professionals, thereby improving the efficiency of PSG assessment cycle and promoting the generic drug product development.
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.
In this paper, we examine the current state-of-the-art in AMR parsing, which relies on ensemble strategies by merging multiple graph predictions. Our analysis reveals that the present models often violate AMR structural constraints. To address this issue, we develop a validation method, and show how ensemble models can exploit SMATCH metric weaknesses to obtain higher scores, but sometimes result in corrupted graphs. Additionally, we highlight the demanding need to compute the SMATCH score among all possible predictions. To overcome these challenges, we propose two novel ensemble strategies based on Transformer models, improving robustness to structural constraints, while also reducing the computational time. Our methods provide new insights for enhancing AMR parsers and metrics. Our code is available at \href{https://www.github.com/babelscape/AMRs-Assemble}{github.com/babelscape/AMRs-Assemble}.
This paper presents a method for reproducing a simple central pattern generator (CPG) using a modified Echo State Network (ESN). Conventionally, the dynamical reservoir needs to be damped to stabilize and preserve memory. However, we find that a reservoir that develops oscillatory activity without any external excitation can mimic the behaviour of a simple CPG in biological systems. We define the specific neuron ensemble required for generating oscillations in the reservoir and demonstrate how adjustments to the leaking rate, spectral radius, topology, and population size can increase the probability of reproducing these oscillations. The results of the experiments, conducted on the time series simulation tasks, demonstrate that the ESN is able to generate the desired waveform without any input. This approach offers a promising solution for the development of bio-inspired controllers for robotic systems.
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.