pwc-archive/papers-with-abstracts huggingface dataset:
Testing learning-enabled cyber-physical systems with Large-Language Models: A Formal Approach
Authors: Xi Zheng, Aloysius K. Mok, Ruzica Piskac, Yong Jae Lee, Bhaskar Krishnamachari, Dakai Zhu, Oleg Sokolsky, Insup Lee
Date: 2023-11-13 00:00:00
Tasks: Autonomous Vehicles

The integration of machine learning (ML) into cyber-physical systems (CPS) offers significant benefits, including enhanced efficiency, predictive capabilities, real-time responsiveness, and the enabling of autonomous operations. This convergence has accelerated the development and deployment of a range of real-world applications, such as autonomous vehicles, delivery drones, service robots, and telemedicine procedures. However, the software development life cycle (SDLC) for AI-infused CPS diverges significantly from traditional approaches, featuring data and learning as two critical components. Existing verification and validation techniques are often inadequate for these new paradigms. In this study, we pinpoint the main challenges in ensuring formal safety for learningenabled CPS.We begin by examining testing as the most pragmatic method for verification and validation, summarizing the current state-of-the-art methodologies. Recognizing the limitations in current testing approaches to provide formal safety guarantees, we propose a roadmap to transition from foundational probabilistic testing to a more rigorous approach capable of delivering formal assurance.
The Impact of Large Language Models on Scientific Discovery: a Preliminary Study using GPT-4
Authors: Microsoft Research AI4Science, Microsoft Azure Quantum
Date: 2023-11-13 00:00:00
Tasks: Computational chemistry, Drug Discovery, Language Modelling, scientific discovery

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within the context of scientific discovery, focusing on GPT-4, the state-of-the-art language model. Our investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial differential equations (PDE). Evaluating GPT-4 on scientific tasks is crucial for uncovering its potential across various research domains, validating its domain-specific expertise, accelerating scientific progress, optimizing resource allocation, guiding future model development, and fostering interdisciplinary research. Our exploration methodology primarily consists of expert-driven case assessments, which offer qualitative insights into the model's comprehension of intricate scientific concepts and relationships, and occasionally benchmark testing, which quantitatively evaluates the model's capacity to solve well-defined domain-specific problems. Our preliminary exploration indicates that GPT-4 exhibits promising potential for a variety of scientific applications, demonstrating its aptitude for handling complex problem-solving and knowledge integration tasks. Broadly speaking, we evaluate GPT-4's knowledge base, scientific understanding, scientific numerical calculation abilities, and various scientific prediction capabilities.
MetaSymNet: A Tree-like Symbol Network with Adaptive Architecture and Activation Functions
Authors: YanJie Li, Weijun Li, Lina Yu, Min Wu, Jinyi Liu, Wenqiang Li, Meilan Hao, Shu Wei, Yusong Deng
Date: 2023-11-13 00:00:00
Tasks: regression, Symbolic Regression

Mathematical formulas serve as the means of communication between humans and nature, encapsulating the operational laws governing natural phenomena. The concise formulation of these laws is a crucial objective in scientific research and an important challenge for artificial intelligence (AI). While traditional artificial neural networks (MLP) excel at data fitting, they often yield uninterpretable black box results that hinder our understanding of the relationship between variables x and predicted values y. Moreover, the fixed network architecture in MLP often gives rise to redundancy in both network structure and parameters. To address these issues, we propose MetaSymNet, a novel neural network that dynamically adjusts its structure in real-time, allowing for both expansion and contraction. This adaptive network employs the PANGU meta function as its activation function, which is a unique type capable of evolving into various basic functions during training to compose mathematical formulas tailored to specific needs. We then evolve the neural network into a concise, interpretable mathematical expression. To evaluate MetaSymNet's performance, we compare it with four state-of-the-art symbolic regression algorithms across more than 10 public datasets comprising 222 formulas. Our experimental results demonstrate that our algorithm outperforms others consistently regardless of noise presence or absence. Furthermore, we assess MetaSymNet against MLP and SVM regarding their fitting ability and extrapolation capability, these are two essential aspects of machine learning algorithms. The findings reveal that our algorithm excels in both areas. Finally, we compared MetaSymNet with MLP using iterative pruning in network structure complexity. The results show that MetaSymNet's network structure complexity is obviously less than MLP under the same goodness of fit.
Semi-automatic Data Enhancement for Document-Level Relation Extraction with Distant Supervision from Large Language Models
Authors: Junpeng Li, Zixia Jia, Zilong Zheng
Date: 2023-11-13 00:00:00
Tasks: Document-level Relation Extraction, In-Context Learning, Language Modeling, Language Modelling, Large Language Model, Natural Language Inference, Relation, Relation Extraction

Document-level Relation Extraction (DocRE), which aims to extract relations from a long context, is a critical challenge in achieving fine-grained structural comprehension and generating interpretable document representations. Inspired by recent advances in in-context learning capabilities emergent from large language models (LLMs), such as ChatGPT, we aim to design an automated annotation method for DocRE with minimum human effort. Unfortunately, vanilla in-context learning is infeasible for document-level relation extraction due to the plenty of predefined fine-grained relation types and the uncontrolled generations of LLMs. To tackle this issue, we propose a method integrating a large language model (LLM) and a natural language inference (NLI) module to generate relation triples, thereby augmenting document-level relation datasets. We demonstrate the effectiveness of our approach by introducing an enhanced dataset known as DocGNRE, which excels in re-annotating numerous long-tail relation types. We are confident that our method holds the potential for broader applications in domain-specific relation type definitions and offers tangible benefits in advancing generalized language semantic comprehension.
C-Procgen: Empowering Procgen with Controllable Contexts
Authors: Zhenxiong Tan, Kaixin Wang, Xinchao Wang
Date: 2023-11-13 00:00:00
Tasks: Computational Efficiency, Management, Transfer Learning

We present C-Procgen, an enhanced suite of environments on top of the Procgen benchmark. C-Procgen provides access to over 200 unique game contexts across 16 games. It allows for detailed configuration of environments, ranging from game mechanics to agent attributes. This makes the procedural generation process, previously a black-box in Procgen, more transparent and adaptable for various research needs.The upgrade enhances dynamic context management and individualized assignments, while maintaining computational efficiency. C-Procgen's controllable contexts make it applicable in diverse reinforcement learning research areas, such as learning dynamics analysis, curriculum learning, and transfer learning. We believe that C-Procgen will fill a gap in the current literature and offer a valuable toolkit for future works.
Do large language models and humans have similar behaviors in causal inference with script knowledge?
Authors: Xudong Hong, Margarita Ryzhova, Daniel Adrian Biondi, Vera Demberg
Date: 2023-11-13 00:00:00
Tasks: Causal Inference

Recently, large pre-trained language models (LLMs) have demonstrated superior language understanding abilities, including zero-shot causal reasoning. However, it is unclear to what extent their capabilities are similar to human ones. We here study the processing of an event $B$ in a script-based story, which causally depends on a previous event $A$. In our manipulation, event $A$ is stated, negated, or omitted in an earlier section of the text. We first conducted a self-paced reading experiment, which showed that humans exhibit significantly longer reading times when causal conflicts exist ($\neg A \rightarrow B$) than under logical conditions ($A \rightarrow B$). However, reading times remain similar when cause A is not explicitly mentioned, indicating that humans can easily infer event B from their script knowledge. We then tested a variety of LLMs on the same data to check to what extent the models replicate human behavior. Our experiments show that 1) only recent LLMs, like GPT-3 or Vicuna, correlate with human behavior in the $\neg A \rightarrow B$ condition. 2) Despite this correlation, all models still fail to predict that $nil \rightarrow B$ is less surprising than $\neg A \rightarrow B$, indicating that LLMs still have difficulties integrating script knowledge. Our code and collected data set are available at https://github.com/tony-hong/causal-script.
Explaining black boxes with a SMILE: Statistical Model-agnostic Interpretability with Local Explanations
Authors: Koorosh Aslansefat, Mojgan Hashemian, Martin Walker, Mohammed Naveed Akram, Ioannis Sorokos, Yiannis Papadopoulos
Date: 2023-11-13 00:00:00
Tasks: Explainable artificial intelligence, Explainable Artificial Intelligence (XAI), Explainable Models, Interpretable Machine Learning

Machine learning is currently undergoing an explosion in capability, popularity, and sophistication. However, one of the major barriers to widespread acceptance of machine learning (ML) is trustworthiness: most ML models operate as black boxes, their inner workings opaque and mysterious, and it can be difficult to trust their conclusions without understanding how those conclusions are reached. Explainability is therefore a key aspect of improving trustworthiness: the ability to better understand, interpret, and anticipate the behaviour of ML models. To this end, we propose SMILE, a new method that builds on previous approaches by making use of statistical distance measures to improve explainability while remaining applicable to a wide range of input data domains.
TIAGo RL: Simulated Reinforcement Learning Environments with Tactile Data for Mobile Robots
Authors: Luca Lach, Francesco Ferro, Robert Haschke
Date: 2023-11-13 00:00:00
Tasks: Deep Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Transfer Learning

Tactile information is important for robust performance in robotic tasks that involve physical interaction, such as object manipulation. However, with more data included in the reasoning and control process, modeling behavior becomes increasingly difficult. Deep Reinforcement Learning (DRL) produced promising results for learning complex behavior in various domains, including tactile-based manipulation in robotics. In this work, we present our open-source reinforcement learning environments for the TIAGo service robot. They produce tactile sensor measurements that resemble those of a real sensorised gripper for TIAGo, encouraging research in transfer learning of DRL policies. Lastly, we show preliminary training results of a learned force control policy and compare it to a classical PI controller.
Towards Transferring Tactile-based Continuous Force Control Policies from Simulation to Robot
Authors: Luca Lach, Robert Haschke, Davide Tateo, Jan Peters, Helge Ritter, Júlia Borràs, Carme Torras
Date: 2023-11-13 00:00:00
Tasks: Deep Reinforcement Learning, Inductive Bias

The advent of tactile sensors in robotics has sparked many ideas on how robots can leverage direct contact measurements of their environment interactions to improve manipulation tasks. An important line of research in this regard is that of grasp force control, which aims to manipulate objects safely by limiting the amount of force exerted on the object. While prior works have either hand-modeled their force controllers, employed model-based approaches, or have not shown sim-to-real transfer, we propose a model-free deep reinforcement learning approach trained in simulation and then transferred to the robot without further fine-tuning. We therefore present a simulation environment that produces realistic normal forces, which we use to train continuous force control policies. An evaluation in which we compare against a baseline and perform an ablation study shows that our approach outperforms the hand-modeled baseline and that our proposed inductive bias and domain randomization facilitate sim-to-real transfer. Code, models, and supplementary videos are available on https://sites.google.com/view/rl-force-ctrl
In Search of the Long-Tail: Systematic Generation of Long-Tail Inferential Knowledge via Logical Rule Guided Search
Authors: Huihan Li, Yuting Ning, Zeyi Liao, Siyuan Wang, Xiang Lorraine Li, Ximing Lu, Wenting Zhao, Faeze Brahman, Yejin Choi, Xiang Ren
Date: 2023-11-13 00:00:00
Tasks: Language Modelling, Natural Language Inference, Prompt Engineering

To effectively use large language models (LLMs) for real-world queries, it is imperative that they generalize to the long-tail distribution, i.e. rare examples where models exhibit low confidence. In this work, we take the first step towards evaluating LLMs in the long-tail distribution of inferential knowledge. We exemplify long-tail evaluation on the Natural Language Inference task. First, we introduce Logic-Induced-Knowledge-Search (LINK), a systematic long-tail data generation framework, to obtain factually-correct yet long-tail inferential statements. LINK uses variable-wise prompting grounded on symbolic rules to seek low-confidence statements while ensuring factual correctness. We then use LINK to curate Logic-Induced-Long-Tail (LINT), a large-scale long-tail inferential knowledge dataset that contains 108K statements spanning four domains. We evaluate popular LLMs on LINT; we find that state-of-the-art LLMs show significant performance drop (21% relative drop for GPT4) on long-tail data as compared to on head distribution data, and smaller models show even more generalization weakness. These results further underscore the necessity of long-tail evaluation in developing generalizable LLMs.
IASCAR: Incremental Answer Set Counting by Anytime Refinement
Authors: Johannes K. Fichte, Sarah Alice Gaggl, Markus Hecher, Dominik Rusovac
Date: 2023-11-13 00:00:00

Answer set programming (ASP) is a popular declarative programming paradigm with various applications. Programs can easily have many answer sets that cannot be enumerated in practice, but counting still allows quantifying solution spaces. If one counts under assumptions on literals, one obtains a tool to comprehend parts of the solution space, so-called answer set navigation. However, navigating through parts of the solution space requires counting many times, which is expensive in theory. Knowledge compilation compiles instances into representations on which counting works in polynomial time. However, these techniques exist only for CNF formulas, and compiling ASP programs into CNF formulas can introduce an exponential overhead. This paper introduces a technique to iteratively count answer sets under assumptions on knowledge compilations of CNFs that encode supported models. Our anytime technique uses the inclusion-exclusion principle to improve bounds by over- and undercounting systematically. In a preliminary empirical analysis, we demonstrate promising results. After compiling the input (offline phase), our approach quickly (re)counts.
Large Language Models for Robotics: A Survey
Authors: Fanlong Zeng, Wensheng Gan, Yongheng Wang, Ning Liu, Philip S. Yu
Date: 2023-11-13 00:00:00
Tasks: Decision Making, Survey

The human ability to learn, generalize, and control complex manipulation tasks through multi-modality feedback suggests a unique capability, which we refer to as dexterity intelligence. Understanding and assessing this intelligence is a complex task. Amidst the swift progress and extensive proliferation of large language models (LLMs), their applications in the field of robotics have garnered increasing attention. LLMs possess the ability to process and generate natural language, facilitating efficient interaction and collaboration with robots. Researchers and engineers in the field of robotics have recognized the immense potential of LLMs in enhancing robot intelligence, human-robot interaction, and autonomy. Therefore, this comprehensive review aims to summarize the applications of LLMs in robotics, delving into their impact and contributions to key areas such as robot control, perception, decision-making, and path planning. We first provide an overview of the background and development of LLMs for robotics, followed by a description of the benefits of LLMs for robotics and recent advancements in robotics models based on LLMs. We then delve into the various techniques used in the model, including those employed in perception, decision-making, control, and interaction. Finally, we explore the applications of LLMs in robotics and some potential challenges they may face in the near future. Embodied intelligence is the future of intelligent science, and LLMs-based robotics is one of the promising but challenging paths to achieve this.
Optical Quantum Sensing for Agnostic Environments via Deep Learning
Authors: Zeqiao Zhou, Yuxuan Du, Xu-Fei Yin, Shanshan Zhao, Xinmei Tian, DaCheng Tao
Date: 2023-11-13 00:00:00
Tasks: Deep Learning, Graph Neural Network

Optical quantum sensing promises measurement precision beyond classical sensors termed the Heisenberg limit (HL). However, conventional methodologies often rely on prior knowledge of the target system to achieve HL, presenting challenges in practical applications. Addressing this limitation, we introduce an innovative Deep Learning-based Quantum Sensing scheme (DQS), enabling optical quantum sensors to attain HL in agnostic environments. DQS incorporates two essential components: a Graph Neural Network (GNN) predictor and a trigonometric interpolation algorithm. Operating within a data-driven paradigm, DQS utilizes the GNN predictor, trained on offline data, to unveil the intrinsic relationships between the optical setups employed in preparing the probe state and the resulting quantum Fisher information (QFI) after interaction with the agnostic environment. This distilled knowledge facilitates the identification of optimal optical setups associated with maximal QFI. Subsequently, DQS employs a trigonometric interpolation algorithm to recover the unknown parameter estimates for the identified optical setups. Extensive experiments are conducted to investigate the performance of DQS under different settings up to eight photons. Our findings not only offer a new lens through which to accelerate optical quantum sensing tasks but also catalyze future research integrating deep learning and quantum mechanics.
Applying Large Language Models for Causal Structure Learning in Non Small Cell Lung Cancer
Authors: Narmada Naik, Ayush Khandelwal, Mohit Joshi, Madhusudan Atre, Hollis Wright, Kavya Kannan, Scott Hill, Giridhar Mamidipudi, Ganapati Srinivasa, Carlo Bifulco, Brian Piening, Kevin Matlock
Date: 2023-11-13 00:00:00
Tasks: Causal Discovery

Causal discovery is becoming a key part in medical AI research. These methods can enhance healthcare by identifying causal links between biomarkers, demographics, treatments and outcomes. They can aid medical professionals in choosing more impactful treatments and strategies. In parallel, Large Language Models (LLMs) have shown great potential in identifying patterns and generating insights from text data. In this paper we investigate applying LLMs to the problem of determining the directionality of edges in causal discovery. Specifically, we test our approach on a deidentified set of Non Small Cell Lung Cancer(NSCLC) patients that have both electronic health record and genomic panel data. Graphs are validated using Bayesian Dirichlet estimators using tabular data. Our result shows that LLMs can accurately predict the directionality of edges in causal graphs, outperforming existing state-of-the-art methods. These findings suggests that LLMs can play a significant role in advancing causal discovery and help us better understand complex systems.
Cross-Axis Transformer with 3D Rotary Positional Embeddings
Authors: Lily Erickson
Date: 2023-11-13 00:00:00

Despite lagging behind their modal cousins in many respects, Vision Transformers have provided an interesting opportunity to bridge the gap between sequence modeling and image modeling. Up until now however, vision transformers have largely been held back, due to both computational inefficiency, and lack of proper handling of spatial dimensions. In this paper, we introduce the Cross-Axis Transformer. CAT is a model inspired by both Axial Transformers, and Microsoft's recent Retentive Network, that drastically reduces the required number of floating point operations required to process an image, while simultaneously converging faster and more accurately than the Vision Transformers it replaces.
Knowledge Graph Representations to enhance Intensive Care Time-Series Predictions
Authors: Samyak Jain, Manuel Burger, Gunnar Rätsch, Rita Kuznetsova
Date: 2023-11-13 00:00:00
Tasks: Data Integration, Knowledge Graphs, Time Series

Intensive Care Units (ICU) require comprehensive patient data integration for enhanced clinical outcome predictions, crucial for assessing patient conditions. Recent deep learning advances have utilized patient time series data, and fusion models have incorporated unstructured clinical reports, improving predictive performance. However, integrating established medical knowledge into these models has not yet been explored. The medical domain's data, rich in structural relationships, can be harnessed through knowledge graphs derived from clinical ontologies like the Unified Medical Language System (UMLS) for better predictions. Our proposed methodology integrates this knowledge with ICU data, improving clinical decision modeling. It combines graph representations with vital signs and clinical reports, enhancing performance, especially when data is missing. Additionally, our model includes an interpretability component to understand how knowledge graph nodes affect predictions.
The High-dimensional Phase Diagram and the Large CALPHAD Model
Authors: Zhengdi Liu, Xulong An, Wenwen Sun
Date: 2023-11-13 00:00:00

When alloy systems comprise more than three elements, the visualization of the entire phase space becomes not only daunting but is also accompanied by a data surge. Addressing this complexity, we delve into the FeNiCrMn alloy system and introduce the Large CALPHAD Model (LCM). The LCM acts as a computational conduit, capturing the entire phase space. Subsequently, this enormous data is systematically structured using a high-dimensional phase diagram, aided by hash tables and Depth-first Search (DFS), rendering it both digestible and programmatically accessible. Remarkably, the LCM boasts a 97% classification accuracy and a mean square error of 4.80*10-5 in phase volume prediction. Our methodology successfully delineates 51 unique phase spaces in the FeNiCrMn system, exemplifying its efficacy with the design of all 439 eutectic alloys. This pioneering methodology signifies a monumental shift in alloy design techniques or even multi-variable problems.