TENG: Time-Evolving Natural Gradient for Solving PDEs with Deep Neural Net

Partial differential equations (PDEs) are instrumental for modeling dynamical systems in science and engineering. The advent of neural networks has initiated a significant shift in tackling these complexities though challenges in accuracy persist, especially for initial value problems. In this paper, we introduce the $\textit{Time-Evolving Natural Gradient (TENG)}$, generalizing time-dependent variational principles and optimization-based time integration, leveraging natural gradient optimization to obtain high accuracy in neural-network-based PDE solutions. Our comprehensive development includes algorithms like TENG-Euler and its high-order variants, such as TENG-Heun, tailored for enhanced precision and efficiency. TENG's effectiveness is further validated through its performance, surpassing current leading methods and achieving machine precision in step-by-step optimizations across a spectrum of PDEs, including the heat equation, Allen-Cahn equation, and Burgers' equation.

Pairing-based graph neural network for simulating quantum materials

We develop a pairing-based graph neural network for simulating quantum many-body systems. Our architecture augments a BCS-type geminal wavefunction with a generalized pair amplitude parameterized by a graph neural network. Variational Monte Carlo with our neural network simultaneously provides an accurate, flexible, and scalable method for simulating many-electron systems. We apply this method to two-dimensional semiconductor electron-hole bilayers and obtain accurate results on a variety of interaction-induced phases, including the exciton Bose-Einstein condensate, electron-hole superconductor, and bilayer Wigner crystal. Our study demonstrates the potential of physically-motivated neural network wavefunctions for quantum materials simulations.

Enhancing Job Recommendation through LLM-based Generative Adversarial Networks

Recommending suitable jobs to users is a critical task in online recruitment platforms, as it can enhance users' satisfaction and the platforms' profitability. While existing job recommendation methods encounter challenges such as the low quality of users' resumes, which hampers their accuracy and practical effectiveness. With the rapid development of large language models (LLMs), utilizing the rich external knowledge encapsulated within them, as well as their powerful capabilities of text processing and reasoning, is a promising way to complete users' resumes for more accurate recommendations. However, directly leveraging LLMs to enhance recommendation results is not a one-size-fits-all solution, as LLMs may suffer from fabricated generation and few-shot problems, which degrade the quality of resume completion. In this paper, we propose a novel LLM-based approach for job recommendation. To alleviate the limitation of fabricated generation for LLMs, we extract accurate and valuable information beyond users' self-description, which helps the LLMs better profile users for resume completion. Specifically, we not only extract users' explicit properties (e.g., skills, interests) from their self-description but also infer users' implicit characteristics from their behaviors for more accurate and meaningful resume completion. Nevertheless, some users still suffer from few-shot problems, which arise due to scarce interaction records, leading to limited guidance for the models in generating high-quality resumes. To address this issue, we propose aligning unpaired low-quality with high-quality generated resumes by Generative Adversarial Networks (GANs), which can refine the resume representations for better recommendation results. Extensive experiments on three large real-world recruitment datasets demonstrate the effectiveness of our proposed method.

Lift Yourself Up: Retrieval-augmented Text Generation with Self Memory

With direct access to human-written reference as memory, retrieval-augmented generation has achieved much progress in a wide range of text generation tasks. Since better memory would typically prompt better generation~(we define this as primal problem), previous works mainly focus on how to retrieve better memory. However, one fundamental limitation exists for current literature: the memory is retrieved from a fixed corpus and is bounded by the quality of the corpus. Due to the finite retrieval space, bounded memory would greatly limit the potential of the memory-augmented generation model. In this paper, by exploring the duality of the primal problem: better generation also prompts better memory, we propose a framework called Selfmem, which iteratively adopts a retrieval-augmented generator itself to generate an unbounded memory pool and uses a memory selector to pick one generated memory for the next generation round. By combining the primal and dual problem, a retrieval-augmented generation model could lift itself up with its own output in the infinite generation space. To verify our framework, we conduct extensive experiments across various text generation scenarios including neural machine translation, abstractive summarization and dialogue generation over seven datasets and achieve state-of-the-art results in JRC-Acquis(four directions), XSum(50.3 ROUGE-1) and BigPatent(62.9 ROUGE-1).

GenPhys: From Physical Processes to Generative Models

Since diffusion models (DM) and the more recent Poisson flow generative models (PFGM) are inspired by physical processes, it is reasonable to ask: Can physical processes offer additional new generative models? We show that the answer is yes. We introduce a general family, Generative Models from Physical Processes (GenPhys), where we translate partial differential equations (PDEs) describing physical processes to generative models. We show that generative models can be constructed from s-generative PDEs (s for smooth). GenPhys subsume the two existing generative models (DM and PFGM) and even give rise to new families of generative models, e.g., "Yukawa Generative Models" inspired from weak interactions. On the other hand, some physical processes by default do not belong to the GenPhys family, e.g., the wave equation and the Schr\"{o}dinger equation, but could be made into the GenPhys family with some modifications. Our goal with GenPhys is to explore and expand the design space of generative models.

Autoregressive Neural TensorNet: Bridging Neural Networks and Tensor Networks for Quantum Many-Body Simulation

Quantum many-body physics simulation has important impacts on understanding fundamental science and has applications to quantum materials design and quantum technology. However, due to the exponentially growing size of the Hilbert space with respect to the particle number, a direct simulation is intractable. While representing quantum states with tensor networks and neural networks are the two state-of-the-art methods for approximate simulations, each has its own limitations in terms of expressivity and optimization. To address these challenges, we develop a novel architecture, Autoregressive Neural TensorNet (ANTN), which bridges tensor networks and autoregressive neural networks. We show that Autoregressive Neural TensorNet parameterizes normalized wavefunctions with exact sampling, generalizes the expressivity of tensor networks and autoregressive neural networks, and inherits a variety of symmetries from autoregressive neural networks. We demonstrate our approach on the 2D $J_1$-$J_2$ Heisenberg model with different systems sizes and coupling parameters, outperforming both tensor networks and autoregressive neural networks. Our work opens up new opportunities for both scientific simulations and machine learning applications.

Artificial intelligence for artificial materials: moiré atom

Moir\'e engineering in atomically thin van der Waals heterostructures creates artificial quantum materials with designer properties. We solve the many-body problem of interacting electrons confined to a moir\'e superlattice potential minimum (the moir\'e atom) using a 2D fermionic neural network. We show that strong Coulomb interactions in combination with the anisotropic moir\'e potential lead to striking ``Wigner molecule" charge density distributions observable with scanning tunneling microscopy.

Q-Flow: Generative Modeling for Differential Equations of Open Quantum Dynamics with Normalizing Flows

Studying the dynamics of open quantum systems holds the potential to enable breakthroughs both in fundamental physics and applications to quantum engineering and quantum computation. Due to the high-dimensional nature of the problem, customized deep generative neural networks have been instrumental in modeling the high-dimensional density matrix $\rho$, which is the key description for the dynamics of such systems. However, the complex-valued nature and normalization constraints of $\rho$, as well as its complicated dynamics, prohibit a seamless connection between open quantum systems and the recent advances in deep generative modeling. Here we lift that limitation by utilizing a reformulation of open quantum system dynamics to a partial differential equation (PDE) for a corresponding probability distribution $Q$, the Husimi Q function. Thus, we model the Q function seamlessly with off-the-shelf deep generative models such as normalizing flows. Additionally, we develop novel methods for learning normalizing flow evolution governed by high-dimensional PDEs, based on the Euler method and the application of the time-dependent variational principle. We name the resulting approach Q-Flow and demonstrate the scalability and efficiency of Q-Flow on open quantum system simulations, including the dissipative harmonic oscillator and the dissipative bosonic model. Q-Flow is superior to conventional PDE solvers and state-of-the-art physics-informed neural network solvers, especially in high-dimensional systems.