arXiv subjects

Di He

Publications and source records attributed to Di He.

At least 55 records · Page 3Linked to original sources

arXiv2024

Static Microlensing: Concept, Method and Candidates

We propose a novel microlensing event search method that differs from either the traditional time domain method, astrometric microlensing, or the parallax microlensing method. Our method assumes that stars with nearly identical "genes" - normalized Spectral Energy Distributions (SED) bear the same luminosity within the intrinsic scatter due to stellar properties. Given a sample of stars with similar normalized SEDs, the outliers in luminosity distribution can be considered microlensing events by excluding other possible variations. In this case, we can select microlensing events from archive data rather than time domain monitoring the sky, which we describe as static microlensing. Following this concept, we collect the data from Gaia DR3 and SDSS DR16 from the northern galactic cap at high galactic latitudes. This area is not preferable for normal microlensing search due to the low stellar density and, therefore, low discovery rate. By applying a similarity search algorithm, we find 5 microlensing candidates in the Galactic halo.

astro-ph.GA↗

arXiv2024

Bridging Geometric States via Geometric Diffusion Bridge

The accurate prediction of geometric state evolution in complex systems is critical for advancing scientific domains such as quantum chemistry and material modeling. Traditional experimental and computational methods face challenges in terms of environmental constraints and computational demands, while current deep learning approaches still fall short in terms of precision and generality. In this work, we introduce the Geometric Diffusion Bridge (GDB), a novel generative modeling framework that accurately bridges initial and target geometric states. GDB leverages a probabilistic approach to evolve geometric state distributions, employing an equivariant diffusion bridge derived by a modified version of Doob's $h$-transform for connecting geometric states. This tailored diffusion process is anchored by initial and target geometric states as fixed endpoints and governed by equivariant transition kernels. Moreover, trajectory data can be seamlessly leveraged in our GDB framework by using a chain of equivariant diffusion bridges, providing a more detailed and accurate characterization of evolution dynamics. Theoretically, we conduct a thorough examination to confirm our framework's ability to preserve joint distributions of geometric states and capability to completely model the underlying dynamics inducing trajectory distributions with negligible error. Experimental evaluations across various real-world scenarios show that GDB surpasses existing state-of-the-art approaches, opening up a new pathway for accurately bridging geometric states and tackling crucial scientific challenges with improved accuracy and applicability.

cs.LG↗

arXiv2024

Knowledge-driven AI-generated data for accurate and interpretable breast ultrasound diagnoses

Data-driven deep learning models have shown great capabilities to assist radiologists in breast ultrasound (US) diagnoses. However, their effectiveness is limited by the long-tail distribution of training data, which leads to inaccuracies in rare cases. In this study, we address a long-standing challenge of improving the diagnostic model performance on rare cases using long-tailed data. Specifically, we introduce a pipeline, TAILOR, that builds a knowledge-driven generative model to produce tailored synthetic data. The generative model, using 3,749 lesions as source data, can generate millions of breast-US images, especially for error-prone rare cases. The generated data can be further used to build a diagnostic model for accurate and interpretable diagnoses. In the prospective external evaluation, our diagnostic model outperforms the average performance of nine radiologists by 33.5% in specificity with the same sensitivity, improving their performance by providing predictions with an interpretable decision-making process. Moreover, on ductal carcinoma in situ (DCIS), our diagnostic model outperforms all radiologists by a large margin, with only 34 DCIS lesions in the source data. We believe that TAILOR can potentially be extended to various diseases and imaging modalities.

eess.IV↗

arXiv2024

Online Pseudo-Zeroth-Order Training of Neuromorphic Spiking Neural Networks

Brain-inspired neuromorphic computing with spiking neural networks (SNNs) is a promising energy-efficient computational approach. However, successfully training SNNs in a more biologically plausible and neuromorphic-hardware-friendly way is still challenging. Most recent methods leverage spatial and temporal backpropagation (BP), not adhering to neuromorphic properties. Despite the efforts of some online training methods, tackling spatial credit assignments by alternatives with comparable performance as spatial BP remains a significant problem. In this work, we propose a novel method, online pseudo-zeroth-order (OPZO) training. Our method only requires a single forward propagation with noise injection and direct top-down signals for spatial credit assignment, avoiding spatial BP's problem of symmetric weights and separate phases for layer-by-layer forward-backward propagation. OPZO solves the large variance problem of zeroth-order methods by the pseudo-zeroth-order formulation and momentum feedback connections, while having more guarantees than random feedback. Combining online training, OPZO can pave paths to on-chip SNN training. Experiments on neuromorphic and static datasets with fully connected and convolutional networks demonstrate the effectiveness of OPZO with similar performance compared with spatial BP, as well as estimated low training costs.

cs.NE↗

arXiv2024

GeoMFormer: A General Architecture for Geometric Molecular Representation Learning

Molecular modeling, a central topic in quantum mechanics, aims to accurately calculate the properties and simulate the behaviors of molecular systems. The molecular model is governed by physical laws, which impose geometric constraints such as invariance and equivariance to coordinate rotation and translation. While numerous deep learning approaches have been developed to learn molecular representations under these constraints, most of them are built upon heuristic and costly modules. We argue that there is a strong need for a general and flexible framework for learning both invariant and equivariant features. In this work, we introduce a novel Transformer-based molecular model called GeoMFormer to achieve this goal. Using the standard Transformer modules, two separate streams are developed to maintain and learn invariant and equivariant representations. Carefully designed cross-attention modules bridge the two streams, allowing information fusion and enhancing geometric modeling in each stream. As a general and flexible architecture, we show that many previous architectures can be viewed as special instantiations of GeoMFormer. Extensive experiments are conducted to demonstrate the power of GeoMFormer. All empirical results show that GeoMFormer achieves strong performance on both invariant and equivariant tasks of different types and scales. Code and models will be made publicly available at https://github.com/c-tl/GeoMFormer.

cs.LG↗

arXiv2024

Two Stones Hit One Bird: Bilevel Positional Encoding for Better Length Extrapolation

In this work, we leverage the intrinsic segmentation of language sequences and design a new positional encoding method called Bilevel Positional Encoding (BiPE). For each position, our BiPE blends an intra-segment encoding and an inter-segment encoding. The intra-segment encoding identifies the locations within a segment and helps the model capture the semantic information therein via absolute positional encoding. The inter-segment encoding specifies the segment index, models the relationships between segments, and aims to improve extrapolation capabilities via relative positional encoding. Theoretical analysis shows this disentanglement of positional information makes learning more effective. The empirical results also show that our BiPE has superior length extrapolation capabilities across a wide range of tasks in diverse text modalities.

cs.LG↗

arXiv2024

Block Coordinate Descent Methods for Optimization under J-Orthogonality Constraints with Applications

The J-orthogonal matrix, also referred to as the hyperbolic orthogonal matrix, is a class of special orthogonal matrix in hyperbolic space, notable for its advantageous properties. These matrices are integral to optimization under J-orthogonal constraints, which have widespread applications in statistical learning and data science. However, addressing these problems is generally challenging due to their non-convex nature and the computational intensity of the constraints. Currently, algorithms for tackling these challenges are limited. This paper introduces JOBCD, a novel Block Coordinate Descent method designed to address optimizations with J-orthogonality constraints. We explore two specific variants of JOBCD: one based on a Gauss-Seidel strategy (GS-JOBCD), the other on a variance-reduced and Jacobi strategy (VR-J-JOBCD). Notably, leveraging the parallel framework of a Jacobi strategy, VR-J-JOBCD integrates variance reduction techniques to decrease oracle complexity in the minimization of finite-sum functions. For both GS-JOBCD and VR-J-JOBCD, we establish the oracle complexity under mild conditions and strong limit-point convergence results under the Kurdyka-Lojasiewicz inequality. To demonstrate the effectiveness of our method, we conduct experiments on hyperbolic eigenvalue problems, hyperbolic structural probe problems, and the ultrahyperbolic knowledge graph embedding problem. Extensive experiments using both real-world and synthetic data demonstrate that JOBCD consistently outperforms state-of-the-art solutions, by large margins.

cs.DS↗

arXiv2024

Temporal Spiking Neural Networks with Synaptic Delay for Graph Reasoning

Spiking neural networks (SNNs) are investigated as biologically inspired models of neural computation, distinguished by their computational capability and energy efficiency due to precise spiking times and sparse spikes with event-driven computation. A significant question is how SNNs can emulate human-like graph-based reasoning of concepts and relations, especially leveraging the temporal domain optimally. This paper reveals that SNNs, when amalgamated with synaptic delay and temporal coding, are proficient in executing (knowledge) graph reasoning. It is elucidated that spiking time can function as an additional dimension to encode relation properties via a neural-generalized path formulation. Empirical results highlight the efficacy of temporal delay in relation processing and showcase exemplary performance in diverse graph reasoning tasks. The spiking model is theoretically estimated to achieve $20\times$ energy savings compared to non-spiking counterparts, deepening insights into the capabilities and potential of biologically inspired SNNs for efficient reasoning. The code is available at https://github.com/pkuxmq/GRSNN.

cs.NE↗

arXiv2024

REST: Retrieval-Based Speculative Decoding

We introduce Retrieval-Based Speculative Decoding (REST), a novel algorithm designed to speed up language model generation. The key insight driving the development of REST is the observation that the process of text generation often includes certain common phases and patterns. Unlike previous methods that rely on a draft language model for speculative decoding, REST harnesses the power of retrieval to generate draft tokens. This method draws from the reservoir of existing knowledge, retrieving and employing relevant tokens based on the current context. Its plug-and-play nature allows for seamless integration and acceleration of any language models, all without necessitating additional training. When benchmarked on 7B and 13B language models in a single-batch setting, REST achieves a significant speedup of 1.62X to 2.36X on code or text generation. The code of REST is available at https://github.com/FasterDecoding/REST.

cs.CL↗

arXiv2024

Learning a Fourier Transform for Linear Relative Positional Encodings in Transformers

We propose a new class of linear Transformers called FourierLearner-Transformers (FLTs), which incorporate a wide range of relative positional encoding mechanisms (RPEs). These include regular RPE techniques applied for sequential data, as well as novel RPEs operating on geometric data embedded in higher-dimensional Euclidean spaces. FLTs construct the optimal RPE mechanism implicitly by learning its spectral representation. As opposed to other architectures combining efficient low-rank linear attention with RPEs, FLTs remain practical in terms of their memory usage and do not require additional assumptions about the structure of the RPE mask. Besides, FLTs allow for applying certain structural inductive bias techniques to specify masking strategies, e.g. they provide a way to learn the so-called local RPEs introduced in this paper and give accuracy gains as compared with several other linear Transformers for language modeling. We also thoroughly test FLTs on other data modalities and tasks, such as image classification, 3D molecular modeling, and learnable optimizers. To the best of our knowledge, for 3D molecular data, FLTs are the first Transformer architectures providing linear attention and incorporating RPE masking.

cs.LG↗

arXiv2024

Boosting Meta-Training with Base Class Information for Few-Shot Learning

Few-shot learning, a challenging task in machine learning, aims to learn a classifier adaptable to recognize new, unseen classes with limited labeled examples. Meta-learning has emerged as a prominent framework for few-shot learning. Its training framework is originally a task-level learning method, such as Model-Agnostic Meta-Learning (MAML) and Prototypical Networks. And a recently proposed training paradigm called Meta-Baseline, which consists of sequential pre-training and meta-training stages, gains state-of-the-art performance. However, as a non-end-to-end training method, indicating the meta-training stage can only begin after the completion of pre-training, Meta-Baseline suffers from higher training cost and suboptimal performance due to the inherent conflicts of the two training stages. To address these limitations, we propose an end-to-end training paradigm consisting of two alternative loops. In the outer loop, we calculate cross entropy loss on the entire training set while updating only the final linear layer. In the inner loop, we employ the original meta-learning training mode to calculate the loss and incorporate gradients from the outer loss to guide the parameter updates. This training paradigm not only converges quickly but also outperforms existing baselines, indicating that information from the overall training set and the meta-learning training paradigm could mutually reinforce one another. Moreover, being model-agnostic, our framework achieves significant performance gains, surpassing the baseline systems by approximate 1%.

cs.LG↗

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

Hebbian Learning based Orthogonal Projection for Continual Learning of Spiking Neural Networks

Neuromorphic computing with spiking neural networks is promising for energy-efficient artificial intelligence (AI) applications. However, different from humans who continually learn different tasks in a lifetime, neural network models suffer from catastrophic forgetting. How could neuronal operations solve this problem is an important question for AI and neuroscience. Many previous studies draw inspiration from observed neuroscience phenomena and propose episodic replay or synaptic metaplasticity, but they are not guaranteed to explicitly preserve knowledge for neuron populations. Other works focus on machine learning methods with more mathematical grounding, e.g., orthogonal projection on high dimensional spaces, but there is no neural correspondence for neuromorphic computing. In this work, we develop a new method with neuronal operations based on lateral connections and Hebbian learning, which can protect knowledge by projecting activity traces of neurons into an orthogonal subspace so that synaptic weight update will not interfere with old tasks. We show that Hebbian and anti-Hebbian learning on recurrent lateral connections can effectively extract the principal subspace of neural activities and enable orthogonal projection. This provides new insights into how neural circuits and Hebbian learning can help continual learning, and also how the concept of orthogonal projection can be realized in neuronal systems. Our method is also flexible to utilize arbitrary training methods based on presynaptic activities/traces. Experiments show that our method consistently solves forgetting for spiking neural networks with nearly zero forgetting under various supervised training methods with different error propagation approaches, and outperforms previous approaches under various settings. Our method can pave a solid path for building continual neuromorphic computing systems.

cs.NE↗

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

Rethinking the Expressive Power of GNNs via Graph Biconnectivity

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a lack of deep understanding of what additional power they can systematically and provably gain. In this paper, we take a fundamentally different perspective to study the expressive power of GNNs beyond the WL test. Specifically, we introduce a novel class of expressivity metrics via graph biconnectivity and highlight their importance in both theory and practice. As biconnectivity can be easily calculated using simple algorithms that have linear computational costs, it is natural to expect that popular GNNs can learn it easily as well. However, after a thorough review of prior GNN architectures, we surprisingly find that most of them are not expressive for any of these metrics. The only exception is the ESAN framework, for which we give a theoretical justification of its power. We proceed to introduce a principled and more efficient approach, called the Generalized Distance Weisfeiler-Lehman (GD-WL), which is provably expressive for all biconnectivity metrics. Practically, we show GD-WL can be implemented by a Transformer-like architecture that preserves expressiveness and enjoys full parallelizability. A set of experiments on both synthetic and real datasets demonstrates that our approach can consistently outperform prior GNN architectures.

cs.LG↗

arXiv2024

Turn-taking and Backchannel Prediction with Acoustic and Large Language Model Fusion

We propose an approach for continuous prediction of turn-taking and backchanneling locations in spoken dialogue by fusing a neural acoustic model with a large language model (LLM). Experiments on the Switchboard human-human conversation dataset demonstrate that our approach consistently outperforms the baseline models with single modality. We also develop a novel multi-task instruction fine-tuning strategy to further benefit from LLM-encoded knowledge for understanding the tasks and conversational contexts, leading to additional improvements. Our approach demonstrates the potential of combined LLMs and acoustic models for a more natural and conversational interaction between humans and speech-enabled AI agents.

cs.CL↗

arXiv2024

Two-pass Endpoint Detection for Speech Recognition

Endpoint (EP) detection is a key component of far-field speech recognition systems that assist the user through voice commands. The endpoint detector has to trade-off between accuracy and latency, since waiting longer reduces the cases of users being cut-off early. We propose a novel two-pass solution for endpointing, where the utterance endpoint detected from a first pass endpointer is verified by a 2nd-pass model termed EP Arbitrator. Our method improves the trade-off between early cut-offs and latency over a baseline endpointer, as tested on datasets including voice-assistant transactional queries, conversational speech, and the public SLURP corpus. We demonstrate that our method shows improvements regardless of the first-pass EP model used.

eess.AS↗

arXiv2024

Beyond Weisfeiler-Lehman: A Quantitative Framework for GNN Expressiveness

Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure has notable limitations: it is inherently coarse, qualitative, and may not well reflect practical requirements (e.g., the ability to encode substructures). In this paper, we introduce a unified framework for quantitatively studying the expressiveness of GNN architectures, addressing all the above limitations. Specifically, we identify a fundamental expressivity measure termed homomorphism expressivity, which quantifies the ability of GNN models to count graphs under homomorphism. Homomorphism expressivity offers a complete and practical assessment tool: the completeness enables direct expressivity comparisons between GNN models, while the practicality allows for understanding concrete GNN abilities such as subgraph counting. By examining four classes of prominent GNNs as case studies, we derive simple, unified, and elegant descriptions of their homomorphism expressivity for both invariant and equivariant settings. Our results provide novel insights into a series of previous work, unify the landscape of different subareas in the community, and settle several open questions. Empirically, extensive experiments on both synthetic and real-world tasks verify our theory, showing that the practical performance of GNN models aligns well with the proposed metric.

cs.LG↗