arXiv subjects

Haotian Ye

Publications and source records attributed to Haotian Ye.

At least 55 records · Page 3Linked to original sources

arXiv2024

Geometric Trajectory Diffusion Models

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

cs.CV↗

arXiv2024

Exploring the Role of Transliteration in In-Context Learning for Low-resource Languages Written in Non-Latin Scripts

Decoder-only large language models (LLMs) excel in high-resource languages across various tasks through few-shot or even zero-shot in-context learning (ICL). However, their performance often does not transfer well to low-resource languages, especially those written in non-Latin scripts. Inspired by recent work that leverages transliteration in encoder-only models, we investigate whether transliteration is also effective in improving LLMs' performance for low-resource languages written in non-Latin scripts. To this end, we propose three prompt templates, where the target-language text is represented in (1) its original script, (2) Latin script, or (3) both. We apply these methods to several representative LLMs of different sizes on various tasks including text classification and sequential labeling. Our findings show that the effectiveness of transliteration varies by task type and model size. For instance, all models benefit from transliterations for sequential labeling (with increases of up to 25%).

cs.CL↗

arXiv2024

Taxi1500: A Multilingual Dataset for Text Classification in 1500 Languages

While natural language processing tools have been developed extensively for some of the world's languages, a significant portion of the world's over 7000 languages are still neglected. One reason for this is that evaluation datasets do not yet cover a wide range of languages, including low-resource and endangered ones. We aim to address this issue by creating a text classification dataset encompassing a large number of languages, many of which currently have little to no annotated data available. We leverage parallel translations of the Bible to construct such a dataset by first developing applicable topics and employing a crowdsourcing tool to collect annotated data. By annotating the English side of the data and projecting the labels onto other languages through aligned verses, we generate text classification datasets for more than 1500 languages. We extensively benchmark several existing multilingual language models using our dataset. To facilitate the advancement of research in this area, we will release our dataset and code.

cs.CL↗

arXiv2024

Selecting Large Language Model to Fine-tune via Rectified Scaling Law

The ever-growing ecosystem of LLMs has posed a challenge in selecting the most appropriate pre-trained model to fine-tune amidst a sea of options. Given constrained resources, fine-tuning all models and making selections afterward is unrealistic. In this work, we formulate this resource-constrained selection task into predicting fine-tuning performance and illustrate its natural connection with Scaling Law. Unlike pre-training, we find that the fine-tuning scaling curve includes not just the well-known "power phase" but also the previously unobserved "pre-power phase". We also explain why existing Scaling Law fails to capture this phase transition phenomenon both theoretically and empirically. To address this, we introduce the concept of "pre-learned data size" into our Rectified Scaling Law, which overcomes theoretical limitations and fits experimental results much better. By leveraging our law, we propose a novel LLM selection algorithm that selects the near-optimal model with hundreds of times less resource consumption, while other methods may provide negatively correlated selection. The project page is available at rectified-scaling-law.github.io.

cs.LG↗

arXiv2024

TransliCo: A Contrastive Learning Framework to Address the Script Barrier in Multilingual Pretrained Language Models

The world's more than 7000 languages are written in at least 293 scripts. Due to various reasons, many closely related languages use different scripts, which poses a difficulty for multilingual pretrained language models (mPLMs) in learning crosslingual knowledge through lexical overlap. As a consequence, mPLMs are faced with a script barrier: representations from different scripts are located in different subspaces, which can result in crosslingual transfer involving languages of different scripts performing suboptimally. To address this problem, we propose TransliCo, a framework that optimizes the Transliteration Contrastive Modeling (TCM) objective to fine-tune an mPLM by contrasting sentences in its training data and their transliterations in a unified script (in our case Latin), which enhances uniformity in the representation space for different scripts. Using Glot500-m, an mPLM pretrained on over 500 languages, as our source model, we fine-tune it on a small portion (5%) of its training data, and refer to the resulting model as Furina. We show that Furina not only better aligns representations from distinct scripts but also outperforms the original Glot500-m on various zero-shot crosslingual transfer tasks. Additionally, we achieve consistent improvement in a case study on the Indic group where the languages exhibit areal features but use different scripts. We make our code and models publicly available.

cs.CL↗

arXiv2024

MoSECroT: Model Stitching with Static Word Embeddings for Crosslingual Zero-shot Transfer

Transformer-based pre-trained language models (PLMs) have achieved remarkable performance in various natural language processing (NLP) tasks. However, pre-training such models can take considerable resources that are almost only available to high-resource languages. On the contrary, static word embeddings are easier to train in terms of computing resources and the amount of data required. In this paper, we introduce MoSECroT Model Stitching with Static Word Embeddings for Crosslingual Zero-shot Transfer), a novel and challenging task that is especially relevant to low-resource languages for which static word embeddings are available. To tackle the task, we present the first framework that leverages relative representations to construct a common space for the embeddings of a source language PLM and the static word embeddings of a target language. In this way, we can train the PLM on source-language training data and perform zero-shot transfer to the target language by simply swapping the embedding layer. However, through extensive experiments on two classification datasets, we show that although our proposed framework is competitive with weak baselines when addressing MoSECroT, it fails to achieve competitive results compared with some strong baselines. In this paper, we attempt to explain this negative result and provide several thoughts on possible improvement.

cs.CL↗

arXiv2024

Discovering Latent Knowledge in Language Models Without Supervision

Existing techniques for training language models can be misaligned with the truth: if we train models with imitation learning, they may reproduce errors that humans make; if we train them to generate text that humans rate highly, they may output errors that human evaluators can't detect. We propose circumventing this issue by directly finding latent knowledge inside the internal activations of a language model in a purely unsupervised way. Specifically, we introduce a method for accurately answering yes-no questions given only unlabeled model activations. It works by finding a direction in activation space that satisfies logical consistency properties, such as that a statement and its negation have opposite truth values. We show that despite using no supervision and no model outputs, our method can recover diverse knowledge represented in large language models: across 6 models and 10 question-answering datasets, it outperforms zero-shot accuracy by 4\% on average. We also find that it cuts prompt sensitivity in half and continues to maintain high accuracy even when models are prompted to generate incorrect answers. Our results provide an initial step toward discovering what language models know, distinct from what they say, even when we don't have access to explicit ground truth labels.

cs.CL↗

arXiv2024

$\widetilde{O}(N^2)$ Representation of General Continuous Anti-symmetric Function

In quantum mechanics, the wave function of fermion systems such as many-body electron systems are anti-symmetric (AS) and continuous, and it is crucial yet challenging to find an ansatz to represent them. This paper addresses this challenge by presenting an ${\widetilde O}(N^2)$ ansatz based on permutation-equivariant functions. We prove that our ansatz can represent any AS continuous functions, and can accommodate the determinant-based structure proposed by Hutter [14], solving the proposed open problems that ${O}(N)$ Slater determinants are sufficient to provide universal representation of AS continuous functions. Together, we offer a generalizable and efficient approach to representing AS continuous functions, shedding light on designing neural networks to learn wave functions.

quant-ph↗

arXiv2024

DOF: Accelerating High-order Differential Operators with Forward Propagation

Solving partial differential equations (PDEs) efficiently is essential for analyzing complex physical systems. Recent advancements in leveraging deep learning for solving PDE have shown significant promise. However, machine learning methods, such as Physics-Informed Neural Networks (PINN), face challenges in handling high-order derivatives of neural network-parameterized functions. Inspired by Forward Laplacian, a recent method of accelerating Laplacian computation, we propose an efficient computational framework, Differential Operator with Forward-propagation (DOF), for calculating general second-order differential operators without losing any precision. We provide rigorous proof of the advantages of our method over existing methods, demonstrating two times improvement in efficiency and reduced memory consumption on any architectures. Empirical results illustrate that our method surpasses traditional automatic differentiation (AutoDiff) techniques, achieving 2x improvement on the MLP structure and nearly 20x improvement on the MLP with Jacobian sparsity.

cs.LG↗

arXiv2024

In-context Vectors: Making In Context Learning More Effective and Controllable Through Latent Space Steering

Large language models (LLMs) demonstrate emergent in-context learning capabilities, where they adapt to new tasks based on example demonstrations. However, in-context learning has seen limited effectiveness in many settings, is difficult to quantitatively control and takes up context window space. To overcome these limitations, we propose an alternative approach that recasts in-context learning as in-context vectors (ICV). Using ICV has two steps. We first use a forward pass on demonstration examples to create the in-context vector from the latent embedding of the LLM. This vector captures essential information about the intended task. On a new query, instead of adding demonstrations to the prompt, we shift the latent states of the LLM using the ICV. The ICV approach has several benefits: 1) it enables the LLM to more effectively follow the demonstration examples; 2) it's easy to control by adjusting the magnitude of the ICV; 3) it reduces the length of the prompt by removing the in-context demonstrations; 4) ICV is computationally much more efficient than fine-tuning. We demonstrate that ICV achieves better performance compared to standard in-context learning and fine-tuning on diverse tasks including safety, style transfer, role-playing and formatting. Moreover, we show that we can flexibly teach LLM to simultaneously follow different types of instructions by simple vector arithmetics on the corresponding ICVs.

cs.LG↗

arXiv2023

Towards Revealing the Mystery behind Chain of Thought: A Theoretical Perspective

Recent studies have discovered that Chain-of-Thought prompting (CoT) can dramatically improve the performance of Large Language Models (LLMs), particularly when dealing with complex tasks involving mathematics or reasoning. Despite the enormous empirical success, the underlying mechanisms behind CoT and how it unlocks the potential of LLMs remain elusive. In this paper, we take a first step towards theoretically answering these questions. Specifically, we examine the expressivity of LLMs with CoT in solving fundamental mathematical and decision-making problems. By using circuit complexity theory, we first give impossibility results showing that bounded-depth Transformers are unable to directly produce correct answers for basic arithmetic/equation tasks unless the model size grows super-polynomially with respect to the input length. In contrast, we then prove by construction that autoregressive Transformers of constant size suffice to solve both tasks by generating CoT derivations using a commonly used math language format. Moreover, we show LLMs with CoT can handle a general class of decision-making problems known as Dynamic Programming, thus justifying its power in tackling complex real-world tasks. Finally, an extensive set of experiments show that, while Transformers always fail to directly predict the answers, they can consistently learn to generate correct solutions step-by-step given sufficient CoT demonstrations.

cs.LG↗

arXiv2023

Crosslingual Transfer Learning for Low-Resource Languages Based on Multilingual Colexification Graphs

In comparative linguistics, colexification refers to the phenomenon of a lexical form conveying two or more distinct meanings. Existing work on colexification patterns relies on annotated word lists, limiting scalability and usefulness in NLP. In contrast, we identify colexification patterns of more than 2,000 concepts across 1,335 languages directly from an unannotated parallel corpus. We then propose simple and effective methods to build multilingual graphs from the colexification patterns: ColexNet and ColexNet+. ColexNet's nodes are concepts and its edges are colexifications. In ColexNet+, concept nodes are additionally linked through intermediate nodes, each representing an ngram in one of 1,334 languages. We use ColexNet+ to train $\overrightarrow{\mbox{ColexNet+}}$, high-quality multilingual embeddings that are well-suited for transfer learning. In our experiments, we first show that ColexNet achieves high recall on CLICS, a dataset of crosslingual colexifications. We then evaluate $\overrightarrow{\mbox{ColexNet+}}$ on roundtrip translation, sentence retrieval and sentence classification and show that our embeddings surpass several transfer learning baselines. This demonstrates the benefits of using colexification as a source of information in multilingual NLP.

cs.CL↗

arXiv2023

Forward Laplacian: A New Computational Framework for Neural Network-based Variational Monte Carlo

Neural network-based variational Monte Carlo (NN-VMC) has emerged as a promising cutting-edge technique of ab initio quantum chemistry. However, the high computational cost of existing approaches hinders their applications in realistic chemistry problems. Here, we report the development of a new NN-VMC method that achieves a remarkable speed-up by more than one order of magnitude, thereby greatly extending the applicability of NN-VMC to larger systems. Our key design is a novel computational framework named Forward Laplacian, which computes the Laplacian associated with neural networks, the bottleneck of NN-VMC, through an efficient forward propagation process. We then demonstrate that Forward Laplacian is not only versatile but also facilitates more developments of acceleration methods across various aspects, including optimization for sparse derivative matrix and efficient neural network design. Empirically, our approach enables NN-VMC to investigate a broader range of atoms, molecules and chemical reactions for the first time, providing valuable references to other ab initio methods. The results demonstrate a great potential in applying deep learning methods to solve general quantum mechanical problems.

physics.comp-ph↗

arXiv2023

On the Power of Pre-training for Generalization in RL: Provable Benefits and Hardness

Generalization in Reinforcement Learning (RL) aims to learn an agent during training that generalizes to the target environment. This paper studies RL generalization from a theoretical aspect: how much can we expect pre-training over training environments to be helpful? When the interaction with the target environment is not allowed, we certify that the best we can obtain is a near-optimal policy in an average sense, and we design an algorithm that achieves this goal. Furthermore, when the agent is allowed to interact with the target environment, we give a surprising result showing that asymptotically, the improvement from pre-training is at most a constant factor. On the other hand, in the non-asymptotic regime, we design an efficient algorithm and prove a distribution-based regret bound in the target environment that is independent of the state-action space.

cs.LG↗

arXiv2023

A Crosslingual Investigation of Conceptualization in 1335 Languages

Languages differ in how they divide up the world into concepts and words; e.g., in contrast to English, Swahili has a single concept for `belly' and `womb'. We investigate these differences in conceptualization across 1,335 languages by aligning concepts in a parallel corpus. To this end, we propose Conceptualizer, a method that creates a bipartite directed alignment graph between source language concepts and sets of target language strings. In a detailed linguistic analysis across all languages for one concept (`bird') and an evaluation on gold standard data for 32 Swadesh concepts, we show that Conceptualizer has good alignment accuracy. We demonstrate the potential of research on conceptualization in NLP with two experiments. (1) We define crosslingual stability of a concept as the degree to which it has 1-1 correspondences across languages, and show that concreteness predicts stability. (2) We represent each language by its conceptualization pattern for 83 concepts, and define a similarity measure on these representations. The resulting measure for the conceptual similarity of two languages is complementary to standard genealogical, typological, and surface similarity measures. For four out of six language families, we can assign languages to their correct family based on conceptual similarity with accuracy between 54% and 87%.

cs.CL↗

arXiv2023

A study of conceptual language similarity: comparison and evaluation

An interesting line of research in natural language processing (NLP) aims to incorporate linguistic typology to bridge linguistic diversity and assist the research of low-resource languages. While most works construct linguistic similarity measures based on lexical or typological features, such as word order and verbal inflection, recent work has introduced a novel approach to defining language similarity based on how they represent basic concepts, which is complementary to existing similarity measures. In this work, we study the conceptual similarity in detail and evaluate it extensively on a binary classification task.

cs.CL↗

arXiv2023

DeePMD-kit v2: A software package for Deep Potential models

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, Deep Potential - Range Correction (DPRc), Deep Potential Long Range (DPLR), GPU support for customized operators, model compression, non-von Neumann molecular dynamics (NVNMD), and improved usability, including documentation, compiled binary packages, graphical user interfaces (GUI), and application programming interfaces (API). This article presents an overview of the current major version of the DeePMD-kit package, highlighting its features and technical details. Additionally, the article benchmarks the accuracy and efficiency of different models and discusses ongoing developments.

physics.chem-ph↗

arXiv2021

Towards a Theoretical Framework of Out-of-Distribution Generalization

Generalization to out-of-distribution (OOD) data is one of the central problems in modern machine learning. Recently, there is a surge of attempts to propose algorithms that mainly build upon the idea of extracting invariant features. Although intuitively reasonable, theoretical understanding of what kind of invariance can guarantee OOD generalization is still limited, and generalization to arbitrary out-of-distribution is clearly impossible. In this work, we take the first step towards rigorous and quantitative definitions of 1) what is OOD; and 2) what does it mean by saying an OOD problem is learnable. We also introduce a new concept of expansion function, which characterizes to what extent the variance is amplified in the test domains over the training domains, and therefore give a quantitative meaning of invariant features. Based on these, we prove OOD generalization error bounds. It turns out that OOD generalization largely depends on the expansion function. As recently pointed out by Gulrajani and Lopez-Paz (2020), any OOD learning algorithm without a model selection module is incomplete. Our theory naturally induces a model selection criterion. Extensive experiments on benchmark OOD datasets demonstrate that our model selection criterion has a significant advantage over baselines.

cs.LG↗