arXiv subjects

Yue Yu

Publications and source records attributed to Yue Yu.

At least 235 records · Page 13Linked to original sources

arXiv2024

Heterogeneous Peridynamic Neural Operators: Discover Biotissue Constitutive Law and Microstructure From Digital Image Correlation Measurements

Human tissues are highly organized structures with collagen fiber arrangements varying from point to point. Anisotropy of the tissue arises from the natural orientation of the fibers, resulting in location-dependent anisotropy. Heterogeneity also plays an important role in tissue function. It is therefore critical to discover and understand the distribution of fiber orientations from experimental mechanical measurements such as digital image correlation (DIC) data. To this end, we introduce the Heterogeneous Peridynamic Neural Operator (HeteroPNO) approach for data-driven constitutive modeling of heterogeneous anisotropic materials. Our goal is to learn a nonlocal constitutive law together with the material microstructure, in the form of a heterogeneous fiber orientation field, from load-displacement field measurements. We propose a two-phase learning approach. Firstly, we learn a homogeneous constitutive law in the form of a neural network-based kernel function and a nonlocal bond force, to capture complex homogeneous material responses from data. Then, in the second phase we reinitialize the learnt bond force and the kernel function, and training them together with a fiber orientation field for each material point. Owing to the state-based peridynamic skeleton, our HeteroPNO-learned material models are objective and have the balance of linear and angular momentum guaranteed. Moreover, the effects from heterogeneity and nonlinear constitutive relationship are captured by the kernel function and the bond force respectively, enabling physical interpretability. As a result, our HeteroPNO architecture can learn a constitutive model for a biological tissue with anisotropic heterogeneous response undergoing large deformation regime. Moreover, the framework is capable to provide displacement and stress field predictions for new and unseen loading instances.

cond-mat.mtrl-sci↗

arXiv2024

Model Provenance via Model DNA

Understanding the life cycle of the machine learning (ML) model is an intriguing area of research (e.g., understanding where the model comes from, how it is trained, and how it is used). This paper focuses on a novel problem within this field, namely Model Provenance (MP), which concerns the relationship between a target model and its pre-training model and aims to determine whether a source model serves as the provenance for a target model. This is an important problem that has significant implications for ensuring the security and intellectual property of machine learning models but has not received much attention in the literature. To fill in this gap, we introduce a novel concept of Model DNA which represents the unique characteristics of a machine learning model. We utilize a data-driven and model-driven representation learning method to encode the model's training data and input-output information as a compact and comprehensive representation (i.e., DNA) of the model. Using this model DNA, we develop an efficient framework for model provenance identification, which enables us to identify whether a source model is a pre-training model of a target model. We conduct evaluations on both computer vision and natural language processing tasks using various models, datasets, and scenarios to demonstrate the effectiveness of our approach in accurately identifying model provenance.

cs.LG↗

arXiv2024

Nematic Bogoliubov Fermi surfaces from magnetic toroidal order in FeSe$_{1-x}$S$_x$

Recently it has been argued that the superconducting state of FeSe$_{1-x}$S$_x$ exhibits Bogoliubov Fermi surfaces for $x>0.17$. These Bogoliubov Fermi surfaces appear together with broken time-reversal symmetry and surprisingly demonstrate nematic behavior in a structurally tetragonal phase. Through a symmetry-based analysis of Bogoliubov Fermi surfaces that can arise from broken time-reversal symmetry, we argue that the likely origin of time-reversal symmetry breaking is due to magnetic toroidal order. We show that this magnetic toroidal order naturally appears as a consequence of either static Néel antiferromagnetic order or due to the formation of a spontaneous pair density wave superconducting order. Finally, we reveal that independent of the presence of Bogoliubov Fermi surfaces, supercurrents will induce Néel magnetic order in many Fe-based superconductors.

cond-mat.supr-con↗

arXiv2024

Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties

Large language models (LLMs) bear promise as a fast and accurate material modeling paradigm for evaluation, analysis, and design. Their vast number of trainable parameters necessitates a wealth of data to achieve accuracy and mitigate overfitting. However, experimental measurements are often limited and costly to obtain in sufficient quantities for finetuning. To this end, we present a physics-based training pipeline that tackles the pathology of data scarcity. The core enabler is a physics-based modeling framework that generates a multitude of synthetic data to align the LLM to a physically consistent initial state before finetuning. Our framework features a two-phase training strategy: (1) utilizing the large-in-amount while less accurate synthetic data for supervised pretraining, and (2) finetuning the phase-1 model with limited experimental data. We empirically demonstrate that supervised pretraining is vital to obtaining accurate finetuned LLMs, via the lens of learning polymer flammability metrics where cone calorimeter data is sparse.

cs.LG↗

arXiv2024

RankRAG: Unifying Context Ranking with Retrieval-Augmented Generation in LLMs

Large language models (LLMs) typically utilize the top-k contexts from a retriever in retrieval-augmented generation (RAG). In this work, we propose a novel instruction fine-tuning framework RankRAG, which instruction-tunes a single LLM for the dual purpose of context ranking and answer generation in RAG. In particular, the instruction-tuned LLMs work surprisingly well by adding a small fraction of ranking data into the training blend, and outperform existing expert ranking models, including the same LLM exclusively fine-tuned on a large amount of ranking data. For generation, we compare our model with many strong baselines, including GPT-4-0613, GPT-4-turbo-2024-0409, and ChatQA-1.5, an open-sourced model with the state-of-the-art performance on RAG benchmarks. Specifically, our Llama3-RankRAG significantly outperforms Llama3-ChatQA-1.5 and GPT-4 models on nine knowledge-intensive benchmarks. In addition, it also performs comparably to GPT-4 on five RAG benchmarks in the biomedical domain without instruction fine-tuning on biomedical data, demonstrating its superb capability for generalization to new domains.

cs.CL↗

arXiv2024

Predicting Text Preference Via Structured Comparative Reasoning

Comparative reasoning plays a crucial role in text preference prediction; however, large language models (LLMs) often demonstrate inconsistencies in their reasoning. While approaches like Chain-of-Thought improve accuracy in many other settings, they struggle to consistently distinguish the similarities and differences of complex texts. We introduce SC, a prompting approach that predicts text preferences by generating structured intermediate comparisons. SC begins by proposing aspects of comparison, followed by generating textual comparisons under each aspect. We select consistent comparisons with a pairwise consistency comparator that ensures each aspect's comparisons clearly distinguish differences between texts, significantly reducing hallucination and improving consistency. Our comprehensive evaluations across various NLP tasks, including summarization, retrieval, and automatic rating, demonstrate that SC equips LLMs to achieve state-of-the-art performance in text preference prediction.

cs.CL↗

arXiv2024

PyGWalker: On-the-fly Assistant for Exploratory Visual Data Analysis

Exploratory visual data analysis tools empower data analysts to efficiently and intuitively explore data insights throughout the entire analysis cycle. However, the gap between common programmatic analysis (e.g., within computational notebooks) and exploratory visual analysis leads to a disjointed and inefficient data analysis experience. To bridge this gap, we developed PyGWalker, a Python library that offers on-the-fly assistance for exploratory visual data analysis. It features a lightweight and intuitive GUI with a shelf builder modality. Its loosely coupled architecture supports multiple computational environments to accommodate varying data sizes. Since its release in February 2023, PyGWalker has gained much attention, with 612k downloads on PyPI and over 10.5k stars on GitHub as of June 2024. This demonstrates its value to the data science and visualization community, with researchers and developers integrating it into their own applications and studies.

cs.HC↗

arXiv2024

Coordination in Noncooperative Multiplayer Matrix Games via Reduced Rank Correlated Equilibria

Coordination in multiplayer games enables players to avoid the lose-lose outcome that often arises at Nash equilibria. However, designing a coordination mechanism typically requires the consideration of the joint actions of all players, which becomes intractable in large-scale games. We develop a novel coordination mechanism, termed reduced rank correlated equilibria, which reduces the number of joint actions to be considered and thereby mitigates computational complexity. The idea is to approximate the set of all joint actions with the actions used in a set of pre-computed Nash equilibria via a convex hull operation. In a game with n players and each player having m actions, the proposed mechanism reduces the number of joint actions considered from O(m^n) to O(mn). We demonstrate the application of the proposed mechanism to an air traffic queue management problem. Compared with the correlated equilibrium-a popular benchmark coordination mechanism-the proposed approach is capable of solving a problem involving four thousand times more joint actions while yielding similar or better performance in terms of a fairness indicator and showing a maximum optimality gap of 0.066% in terms of the average delay cost. In the meantime, it yields a solution that shows up to 99.5% improvement in a fairness indicator and up to 50.4% reduction in average delay cost compared to the Nash solution, which does not involve coordination.

cs.GT↗

arXiv2024

Effective Causal Discovery under Identifiable Heteroscedastic Noise Model

Capturing the underlying structural causal relations represented by Directed Acyclic Graphs (DAGs) has been a fundamental task in various AI disciplines. Causal DAG learning via the continuous optimization framework has recently achieved promising performance in terms of both accuracy and efficiency. However, most methods make strong assumptions of homoscedastic noise, i.e., exogenous noises have equal variances across variables, observations, or even both. The noises in real data usually violate both assumptions due to the biases introduced by different data collection processes. To address the issue of heteroscedastic noise, we introduce relaxed and implementable sufficient conditions, proving the identifiability of a general class of SEM subject to these conditions. Based on the identifiable general SEM, we propose a novel formulation for DAG learning that accounts for the variation in noise variance across variables and observations. We then propose an effective two-phase iterative DAG learning algorithm to address the increasing optimization difficulties and to learn a causal DAG from data with heteroscedastic variable noise under varying variance. We show significant empirical gains of the proposed approaches over state-of-the-art methods on both synthetic data and real data.

cs.LG↗

arXiv2024

ProgGen: Generating Named Entity Recognition Datasets Step-by-step with Self-Reflexive Large Language Models

Although Large Language Models (LLMs) exhibit remarkable adaptability across domains, these models often fall short in structured knowledge extraction tasks such as named entity recognition (NER). This paper explores an innovative, cost-efficient strategy to harness LLMs with modest NER capabilities for producing superior NER datasets. Our approach diverges from the basic class-conditional prompts by instructing LLMs to self-reflect on the specific domain, thereby generating domain-relevant attributes (such as category and emotions for movie reviews), which are utilized for creating attribute-rich training data. Furthermore, we preemptively generate entity terms and then develop NER context data around these entities, effectively bypassing the LLMs' challenges with complex structures. Our experiments across both general and niche domains reveal significant performance enhancements over conventional data generation methods while being more cost-effective than existing alternatives.

cs.CL↗

arXiv2024

PairCFR: Enhancing Model Training on Paired Counterfactually Augmented Data through Contrastive Learning

Counterfactually Augmented Data (CAD) involves creating new data samples by applying minimal yet sufficient modifications to flip the label of existing data samples to other classes. Training with CAD enhances model robustness against spurious features that happen to correlate with labels by spreading the casual relationships across different classes. Yet, recent research reveals that training with CAD may lead models to overly focus on modified features while ignoring other important contextual information, inadvertently introducing biases that may impair performance on out-ofdistribution (OOD) datasets. To mitigate this issue, we employ contrastive learning to promote global feature alignment in addition to learning counterfactual clues. We theoretically prove that contrastive loss can encourage models to leverage a broader range of features beyond those modified ones. Comprehensive experiments on two human-edited CAD datasets demonstrate that our proposed method outperforms the state-of-the-art on OOD datasets.

cs.LG↗

arXiv2024

Multi-modal Stance Detection: New Datasets and Model

Stance detection is a challenging task that aims to identify public opinion from social media platforms with respect to specific targets. Previous work on stance detection largely focused on pure texts. In this paper, we study multi-modal stance detection for tweets consisting of texts and images, which are prevalent in today's fast-growing social media platforms where people often post multi-modal messages. To this end, we create five new multi-modal stance detection datasets of different domains based on Twitter, in which each example consists of a text and an image. In addition, we propose a simple yet effective Targeted Multi-modal Prompt Tuning framework (TMPT), where target information is leveraged to learn multi-modal stance features from textual and visual modalities. Experimental results on our five benchmark datasets show that the proposed TMPT achieves state-of-the-art performance in multi-modal stance detection.

cs.CL↗

arXiv2024

Harnessing the Power of Neural Operators with Automatically Encoded Conservation Laws

Neural operators (NOs) have emerged as effective tools for modeling complex physical systems in scientific machine learning. In NOs, a central characteristic is to learn the governing physical laws directly from data. In contrast to other machine learning applications, partial knowledge is often known a priori about the physical system at hand whereby quantities such as mass, energy and momentum are exactly conserved. Currently, NOs have to learn these conservation laws from data and can only approximately satisfy them due to finite training data and random noise. In this work, we introduce conservation law-encoded neural operators (clawNOs), a suite of NOs that endow inference with automatic satisfaction of such conservation laws. ClawNOs are built with a divergence-free prediction of the solution field, with which the continuity equation is automatically guaranteed. As a consequence, clawNOs are compliant with the most fundamental and ubiquitous conservation laws essential for correct physical consistency. As demonstrations, we consider a wide variety of scientific applications ranging from constitutive modeling of material deformation, incompressible fluid dynamics, to atmospheric simulation. ClawNOs significantly outperform the state-of-the-art NOs in learning efficacy, especially in small-data regimes.

cs.LG↗

arXiv2024

ARL2: Aligning Retrievers for Black-box Large Language Models via Self-guided Adaptive Relevance Labeling

Retrieval-augmented generation enhances large language models (LLMs) by incorporating relevant information from external knowledge sources. This enables LLMs to adapt to specific domains and mitigate hallucinations in knowledge-intensive tasks. However, existing retrievers are often misaligned with LLMs due to their separate training processes and the black-box nature of LLMs. To address this challenge, we propose ARL2, a retriever learning technique that harnesses LLMs as labelers. ARL2 leverages LLMs to annotate and score relevant evidence, enabling learning the retriever from robust LLM supervision. Furthermore, ARL2 uses an adaptive self-training strategy for curating high-quality and diverse relevance data, which can effectively reduce the annotation cost. Extensive experiments demonstrate the effectiveness of ARL2, achieving accuracy improvements of 5.4% on NQ and 4.6% on MMLU compared to the state-of-the-art methods. Additionally, ARL2 exhibits robust transfer learning capabilities and strong zero-shot generalization abilities. Our code will be published at \url{https://github.com/zhanglingxi-cs/ARL2}.

cs.CL↗

arXiv2024

Positivity and Maximum Principle Preserving Discontinuous Galerkin Finite Element Schemes for a Coupled Flow and Transport

We introduce a new concept of the locally conservative flux and investigate its relationship with the compatible discretization pioneered by Dawson, Sun and Wheeler [11]. We then demonstrate how the new concept of the locally conservative flux can play a crucial role in obtaining the L2 norm stability of the discontinuous Galerkin finite element scheme for the transport in the coupled system with flow. In particular, the lowest order discontinuous Galerkin finite element for the transport is shown to inherit the positivity and maximum principle when the locally conservative flux is used, which has been elusive for many years in literature. The theoretical results established in this paper are based on the equivalence between Lesaint-Raviart discontinuous Galerkin scheme and Brezzi-Marini-Suli discontinuous Galerkin scheme for the linear hyperbolic system as well as the relationship between the Lesaint-Raviart discontinuous Galerkin scheme and the characteristic method along the streamline. Sample numerical experiments have also been performed to justify our theoretical findings

math.NA↗

arXiv2024

Provable Training for Graph Contrastive Learning

Graph Contrastive Learning (GCL) has emerged as a popular training approach for learning node embeddings from augmented graphs without labels. Despite the key principle that maximizing the similarity between positive node pairs while minimizing it between negative node pairs is well established, some fundamental problems are still unclear. Considering the complex graph structure, are some nodes consistently well-trained and following this principle even with different graph augmentations? Or are there some nodes more likely to be untrained across graph augmentations and violate the principle? How to distinguish these nodes and further guide the training of GCL? To answer these questions, we first present experimental evidence showing that the training of GCL is indeed imbalanced across all nodes. To address this problem, we propose the metric "node compactness", which is the lower bound of how a node follows the GCL principle related to the range of augmentations. We further derive the form of node compactness theoretically through bound propagation, which can be integrated into binary cross-entropy as a regularization. To this end, we propose the PrOvable Training (POT) for GCL, which regularizes the training of GCL to encode node embeddings that follows the GCL principle better. Through extensive experiments on various benchmarks, POT consistently improves the existing GCL approaches, serving as a friendly plugin.

cs.LG↗

arXiv2024

Online Self-Preferring Language Models

Aligning with human preference datasets has been critical to the success of large language models (LLMs). Reinforcement learning from human feedback (RLHF) employs a costly reward model to provide feedback for on-policy sampling responses. Recently, offline methods that directly fit responses with binary preferences in the dataset have emerged as alternatives. However, existing methods do not explicitly model preference strength information, which is crucial for distinguishing different response pairs. To overcome this limitation, we propose Online Self-Preferring (OSP) language models to learn from self-generated response pairs and self-judged preference strengths. For each prompt and corresponding self-generated responses, we introduce a ranked pairing method to construct multiple response pairs with preference strength information. We then propose the soft-preference cross-entropy loss to leverage such information. Empirically, we demonstrate that leveraging preference strength is crucial for avoiding overfitting and enhancing alignment performance. OSP achieves state-of-the-art alignment performance across various metrics in two widely used human preference datasets. OSP is parameter-efficient and more robust than the dominant online method, RLHF when limited offline data are available and generalizing to out-of-domain tasks. Moreover, OSP language models established by LLMs with proficiency in self-preferring can efficiently self-improve without external supervision.

cs.LG↗

arXiv2024

Iterative Phase Retrieval Algorithms for Scanning Transmission Electron Microscopy

Scanning transmission electron microscopy (STEM) has been extensively used for imaging complex materials down to atomic resolution. The most commonly employed STEM modality, annular dark-field imaging, produces easily-interpretable contrast, but is dose-inefficient and produces little to no discernible contrast for light elements and weakly-scattering samples. An alternative is to use STEM phase retrieval imaging, enabled by high speed detectors able to record full images of a diffracted STEM probe over a grid of scan positions. Phase retrieval imaging in STEM is highly dose-efficient, enabling the measurement of the structure of beam-sensitive materials such as biological samples. Here, we comprehensively describe the theoretical background, algorithmic implementation details, and perform both simulated and experimental tests for three iterative phase retrieval STEM methods: focused-probe differential phase contrast, defocused-probe parallax imaging, and a generalized ptychographic gradient descent method implemented in two and three dimensions. We discuss the strengths and weaknesses of each of these approaches by comparing the transfer of information using analytical expressions and numerical results for a white-noise model. This presentation of STEM phase retrieval methods aims to make these methods more approachable, reproducible, and more readily adoptable for many classes of samples.

cond-mat.mtrl-sci↗