arXiv subjects

Pawan Goyal

Publications and source records attributed to Pawan Goyal.

At least 73 records · Page 4Linked to original sources

arXiv2024

Roadmap on Data-Centric Materials Science

Science is and always has been based on data, but the terms "data-centric" and the "4th paradigm of" materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of Artificial Intelligence (AI) and its subset Machine Learning (ML), has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

cond-mat.mtrl-sci↗

arXiv2024

Order-Based Pre-training Strategies for Procedural Text Understanding

In this paper, we propose sequence-based pretraining methods to enhance procedural understanding in natural language processing. Procedural text, containing sequential instructions to accomplish a task, is difficult to understand due to the changing attributes of entities in the context. We focus on recipes, which are commonly represented as ordered instructions, and use this order as a supervision signal. Our work is one of the first to compare several 'order as-supervision' transformer pre-training methods, including Permutation Classification, Embedding Regression, and Skip-Clip, and shows that these methods give improved results compared to the baselines and SoTA LLMs on two downstream Entity-Tracking datasets: NPN-Cooking dataset in recipe domain and ProPara dataset in open domain. Our proposed methods address the non-trivial Entity Tracking Task that requires prediction of entity states across procedure steps, which requires understanding the order of steps. These methods show an improvement over the best baseline by 1.6% and 7-9% on NPN-Cooking and ProPara Datasets respectively across metrics.

cs.CL↗

arXiv2024

How Robust are the Tabular QA Models for Scientific Tables? A Study using Customized Dataset

Question-answering (QA) on hybrid scientific tabular and textual data deals with scientific information, and relies on complex numerical reasoning. In recent years, while tabular QA has seen rapid progress, understanding their robustness on scientific information is lacking due to absence of any benchmark dataset. To investigate the robustness of the existing state-of-the-art QA models on scientific hybrid tabular data, we propose a new dataset, "SciTabQA", consisting of 822 question-answer pairs from scientific tables and their descriptions. With the help of this dataset, we assess the state-of-the-art Tabular QA models based on their ability (i) to use heterogeneous information requiring both structured data (table) and unstructured data (text) and (ii) to perform complex scientific reasoning tasks. In essence, we check the capability of the models to interpret scientific tables and text. Our experiments show that "SciTabQA" is an innovative dataset to study question-answering over scientific heterogeneous data. We benchmark three state-of-the-art Tabular QA models, and find that the best F1 score is only 0.462.

cs.CL↗

arXiv2024

Stability-Certified Learning of Control Systems with Quadratic Nonlinearities

This work primarily focuses on an operator inference methodology aimed at constructing low-dimensional dynamical models based on a priori hypotheses about their structure, often informed by established physics or expert insights. Stability is a fundamental attribute of dynamical systems, yet it is not always assured in models derived through inference. Our main objective is to develop a method that facilitates the inference of quadratic control dynamical systems with inherent stability guarantees. To this aim, we investigate the stability characteristics of control systems with energy-preserving nonlinearities, thereby identifying conditions under which such systems are bounded-input bounded-state stable. These insights are subsequently applied to the learning process, yielding inferred models that are inherently stable by design. The efficacy of our proposed framework is demonstrated through a couple of numerical examples.

cs.LG↗

arXiv2024

Long Dialog Summarization: An Analysis

Dialog summarization has become increasingly important in managing and comprehending large-scale conversations across various domains. This task presents unique challenges in capturing the key points, context, and nuances of multi-turn long conversations for summarization. It is worth noting that the summarization techniques may vary based on specific requirements such as in a shopping-chatbot scenario, the dialog summary helps to learn user preferences, whereas in the case of a customer call center, the summary may involve the problem attributes that a user specified, and the final resolution provided. This work emphasizes the significance of creating coherent and contextually rich summaries for effective communication in various applications. We explore current state-of-the-art approaches for long dialog summarization in different domains and benchmark metrics based evaluations show that one single model does not perform well across various areas for distinct summarization tasks.

cs.CL↗

arXiv2024

Balanced Truncation of Descriptor Systems with a Quadratic Output

This work discusses model reduction for differential-algebraic systems with quadratic output equations. Under mild conditions, these systems can be transformed into a Weierstraß canonical form and, thus, be decoupled into differential equations and algebraic equations. The corresponding decoupled states are referred to as proper and improper states. Due to the quadratic function of the state as an output, the proper and improper states are coupled in the output equation, which imposes a challenge from a model reduction viewpoint. Keeping the coupling in mind, our goal in this work is to find important subspaces of the proper and improper states and to reduce the system accordingly. To that end, we first propose the system's matrices, the so-called Gramians, to characterize the system's dominant subspaces. We pay particular attention to the computation of the observability Gramians that take into account the nonlinear coupling between the proper and the improper states. We furthermore show that the proposed Gramians are related to certain kernel functions, which are used to identify important subspaces. This allows us to propose a reduction algorithm to obtain reduced-order systems by removing the subspaces that are difficult to reach, as well as, difficult to observe. Moreover, we quantify the error between the full-order and reduced-order models and demonstrate the proposed methodology using three numerical experiments.

math.DS↗

arXiv2024

Data-Driven Identification of Quadratic Representations for Nonlinear Hamiltonian Systems using Weakly Symplectic Liftings

We present a framework for learning Hamiltonian systems using data. This work is based on a lifting hypothesis, which posits that nonlinear Hamiltonian systems can be written as nonlinear systems with cubic Hamiltonians. By leveraging this, we obtain quadratic dynamics that are Hamiltonian in a transformed coordinate system. To that end, for given generalized position and momentum data, we propose a methodology to learn quadratic dynamical systems, enforcing the Hamiltonian structure in combination with a weakly-enforced symplectic auto-encoder. The obtained Hamiltonian structure exhibits long-term stability of the system, while the cubic Hamiltonian function provides relatively low model complexity. For low-dimensional data, we determine a higher-dimensional transformed coordinate system, whereas for high-dimensional data, we find a lower-dimensional coordinate system with the desired properties. We demonstrate the proposed methodology by means of both low-dimensional and high-dimensional nonlinear Hamiltonian systems.

cs.LG↗

arXiv2024

MatSciRE: Leveraging Pointer Networks to Automate Entity and Relation Extraction for Material Science Knowledge-base Construction

Material science literature is a rich source of factual information about various categories of entities (like materials and compositions) and various relations between these entities, such as conductivity, voltage, etc. Automatically extracting this information to generate a material science knowledge base is a challenging task. In this paper, we propose MatSciRE (Material Science Relation Extractor), a Pointer Network-based encoder-decoder framework, to jointly extract entities and relations from material science articles as a triplet ($entity1, relation, entity2$). Specifically, we target the battery materials and identify five relations to work on - conductivity, coulombic efficiency, capacity, voltage, and energy. Our proposed approach achieved a much better F1-score (0.771) than a previous attempt using ChemDataExtractor (0.716). The overall graphical framework of MatSciRE is shown in Fig 1. The material information is extracted from material science literature in the form of entity-relation triplets using MatSciRE.

cs.CL↗

arXiv2024

Guaranteed Stable Quadratic Models and their applications in SINDy and Operator Inference

Scientific machine learning for inferring dynamical systems combines data-driven modeling, physics-based modeling, and empirical knowledge. It plays an essential role in engineering design and digital twinning. In this work, we primarily focus on an operator inference methodology that builds dynamical models, preferably in low-dimension, with a prior hypothesis on the model structure, often determined by known physics or given by experts. Then, for inference, we aim to learn the operators of a model by setting up an appropriate optimization problem. One of the critical properties of dynamical systems is stability. However, this property is not guaranteed by the inferred models. In this work, we propose inference formulations to learn quadratic models, which are stable by design. Precisely, we discuss the parameterization of quadratic systems that are locally and globally stable. Moreover, for quadratic systems with no stable point yet bounded (e.g., chaotic Lorenz model), we discuss how to parameterize such bounded behaviors in the learning process. Using those parameterizations, we set up inference problems, which are then solved using a gradient-based optimization method. Furthermore, to avoid numerical derivatives and still learn continuous systems, we make use of an integral form of differential equations. We present several numerical examples, illustrating the preservation of stability and discussing its comparison with the existing state-of-the-art approach to infer operators. By means of numerical examples, we also demonstrate how the proposed methods are employed to discover governing equations and energy-preserving models.

cs.LG↗

arXiv2024

Generalized Quadratic Embeddings for Nonlinear Dynamics using Deep Learning

The engineering design process often relies on mathematical modeling that can describe the underlying dynamic behavior. In this work, we present a data-driven methodology for modeling the dynamics of nonlinear systems. To simplify this task, we aim to identify a coordinate transformation that allows us to represent the dynamics of nonlinear systems using a common, simple model structure. The advantage of a common simple model is that customized design tools developed for it can be applied to study a large variety of nonlinear systems. The simplest common model -- one can think of -- is linear, but linear systems often fall short in accurately capturing the complex dynamics of nonlinear systems. In this work, we propose using quadratic systems as the common structure, inspired by the lifting principle. According to this principle, smooth nonlinear systems can be expressed as quadratic systems in suitable coordinates without approximation errors. However, finding these coordinates solely from data is challenging. Here, we leverage deep learning to identify such lifted coordinates using only data, enabling a quadratic dynamical system to describe the system's dynamics. Additionally, we discuss the asymptotic stability of these quadratic dynamical systems. We illustrate the approach using data collected from various numerical examples, demonstrating its superior performance with the existing well-known techniques.

math.DS↗

arXiv2023

OccamNet: A Fast Neural Model for Symbolic Regression at Scale

Neural networks' expressiveness comes at the cost of complex, black-box models that often extrapolate poorly beyond the domain of the training dataset, conflicting with the goal of finding compact analytic expressions to describe scientific data. We introduce OccamNet, a neural network model that finds interpretable, compact, and sparse symbolic fits to data, à la Occam's razor. Our model defines a probability distribution over functions with efficient sampling and function evaluation. We train by sampling functions and biasing the probability mass toward better fitting solutions, backpropagating using cross-entropy matching in a reinforcement-learning loss. OccamNet can identify symbolic fits for a variety of problems, including analytic and non-analytic functions, implicit functions, and simple image classification, and can outperform state-of-the-art symbolic regression methods on real-world regression datasets. Our method requires a minimal memory footprint, fits complicated functions in minutes on a single CPU, and scales on a GPU.

cs.LG↗

arXiv2023

Frugal Prompting for Dialog Models

The use of large language models (LLMs) in natural language processing (NLP) tasks is rapidly increasing, leading to changes in how researchers approach problems in the field. To fully utilize these models' abilities, a better understanding of their behavior for different input protocols is required. With LLMs, users can directly interact with the models through a text-based interface to define and solve various tasks. Hence, understanding the conversational abilities of these LLMs, which may not have been specifically trained for dialog modeling, is also important. This study examines different approaches for building dialog systems using LLMs by considering various aspects of the prompt. As part of prompt tuning, we experiment with various ways of providing instructions, exemplars, current query and additional context. The research also analyzes the representations of dialog history that have the optimal usable-information density. Based on the findings, the paper suggests more compact ways of providing dialog history information while ensuring good performance and reducing model's inference-API costs. The research contributes to a better understanding of how LLMs can be effectively used for building interactive systems.

cs.CL↗

arXiv2023

Extracting Entities of Interest from Comparative Product Reviews

This paper presents a deep learning based approach to extract product comparison information out of user reviews on various e-commerce websites. Any comparative product review has three major entities of information: the names of the products being compared, the user opinion (predicate) and the feature or aspect under comparison. All these informing entities are dependent on each other and bound by the rules of the language, in the review. We observe that their inter-dependencies can be captured well using LSTMs. We evaluate our system on existing manually labeled datasets and observe out-performance over the existing Semantic Role Labeling (SRL) framework popular for this task.

cs.IR↗

arXiv2023

CONTRASTE: Supervised Contrastive Pre-training With Aspect-based Prompts For Aspect Sentiment Triplet Extraction

Existing works on Aspect Sentiment Triplet Extraction (ASTE) explicitly focus on developing more efficient fine-tuning techniques for the task. Instead, our motivation is to come up with a generic approach that can improve the downstream performances of multiple ABSA tasks simultaneously. Towards this, we present CONTRASTE, a novel pre-training strategy using CONTRastive learning to enhance the ASTE performance. While we primarily focus on ASTE, we also demonstrate the advantage of our proposed technique on other ABSA tasks such as ACOS, TASD, and AESC. Given a sentence and its associated (aspect, opinion, sentiment) triplets, first, we design aspect-based prompts with corresponding sentiments masked. We then (pre)train an encoder-decoder model by applying contrastive learning on the decoder-generated aspect-aware sentiment representations of the masked terms. For fine-tuning the model weights thus obtained, we then propose a novel multi-task approach where the base encoder-decoder model is combined with two complementary modules, a tagging-based Opinion Term Detector, and a regression-based Triplet Count Estimator. Exhaustive experiments on four benchmark datasets and a detailed ablation study establish the importance of each of our proposed components as we achieve new state-of-the-art ASTE results.

cs.CL↗

arXiv2023

CLMSM: A Multi-Task Learning Framework for Pre-training on Procedural Text

In this paper, we propose CLMSM, a domain-specific, continual pre-training framework, that learns from a large set of procedural recipes. CLMSM uses a Multi-Task Learning Framework to optimize two objectives - a) Contrastive Learning using hard triplets to learn fine-grained differences across entities in the procedures, and b) a novel Mask-Step Modelling objective to learn step-wise context of a procedure. We test the performance of CLMSM on the downstream tasks of tracking entities and aligning actions between two procedures on three datasets, one of which is an open-domain dataset not conforming with the pre-training dataset. We show that CLMSM not only outperforms baselines on recipes (in-domain) but is also able to generalize to open-domain procedural NLP tasks.

cs.CL↗

arXiv2023

DepNeCTI: Dependency-based Nested Compound Type Identification for Sanskrit

Multi-component compounding is a prevalent phenomenon in Sanskrit, and understanding the implicit structure of a compound's components is crucial for deciphering its meaning. Earlier approaches in Sanskrit have focused on binary compounds and neglected the multi-component compound setting. This work introduces the novel task of nested compound type identification (NeCTI), which aims to identify nested spans of a multi-component compound and decode the implicit semantic relations between them. To the best of our knowledge, this is the first attempt in the field of lexical semantics to propose this task. We present 2 newly annotated datasets including an out-of-domain dataset for this task. We also benchmark these datasets by exploring the efficacy of the standard problem formulations such as nested named entity recognition, constituency parsing and seq2seq, etc. We present a novel framework named DepNeCTI: Dependency-based Nested Compound Type Identifier that surpasses the performance of the best baseline with an average absolute improvement of 13.1 points F1-score in terms of Labeled Span Score (LSS) and a 5-fold enhancement in inference efficiency. In line with the previous findings in the binary Sanskrit compound identification task, context provides benefits for the NeCTI task. The codebase and datasets are publicly available at: https://github.com/yaswanth-iitkgp/DepNeCTI

cs.CL↗

arXiv2023

Modeling interdisciplinary interactions among Physics, Mathematics & Computer Science

Interdisciplinarity has over the recent years have gained tremendous importance and has become one of the key ways of doing cutting edge research. In this paper we attempt to model the citation flow across three different fields -- Physics (PHY), Mathematics (MA) and Computer Science (CS). For instance, is there a specific pattern in which these fields cite one another? We carry out experiments on a dataset comprising more than 1.2 million articles taken from these three fields. We quantify the citation interactions among these three fields through temporal bucket signatures. We present numerical models based on variants of the recently proposed relay-linking framework to explain the citation dynamics across the three disciplines. These models make a modest attempt to unfold the underlying principles of how citation links could have been formed across the three fields over time.

cs.DL↗

arXiv2023

A Robust SINDy Approach by Combining Neural Networks and an Integral Form

The discovery of governing equations from data has been an active field of research for decades. One widely used methodology for this purpose is sparse regression for nonlinear dynamics, known as SINDy. Despite several attempts, noisy and scarce data still pose a severe challenge to the success of the SINDy approach. In this work, we discuss a robust method to discover nonlinear governing equations from noisy and scarce data. To do this, we make use of neural networks to learn an implicit representation based on measurement data so that not only it produces the output in the vicinity of the measurements but also the time-evolution of output can be described by a dynamical system. Additionally, we learn such a dynamic system in the spirit of the SINDy framework. Leveraging the implicit representation using neural networks, we obtain the derivative information -- required for SINDy -- using an automatic differentiation tool. To enhance the robustness of our methodology, we further incorporate an integral condition on the output of the implicit networks. Furthermore, we extend our methodology to handle data collected from multiple initial conditions. We demonstrate the efficiency of the proposed methodology to discover governing equations under noisy and scarce data regimes by means of several examples and compare its performance with existing methods.

math.DS↗