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.
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.
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.
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).
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.
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.
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.
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.
Contact planning is crucial in locomoting systems.Specifically, appropriate contact planning can enable versatile behaviors (e.g., sidewinding in limbless locomotors) and facilitate speed-dependent gait transitions (e.g., walk-trot-gallop in quadrupedal locomotors). The challenges of contact planning include determining not only the sequence by which contact is made and broken between the locomotor and the environments, but also the sequence of internal shape changes (e.g., body bending and limb shoulder joint oscillation). Most state-of-art contact planning algorithms focused on conventional robots (e.g.biped and quadruped) and conventional tasks (e.g. forward locomotion), and there is a lack of study on general contact planning in multi-legged robots. In this paper, we show that using geometric mechanics framework, we can obtain the global optimal contact sequence given the internal shape changes sequence. Therefore, we simplify the contact planning problem to a graph optimization problem to identify the internal shape changes. Taking advantages of the spatio-temporal symmetry in locomotion, we map the graph optimization problem to special cases of spin models, which allows us to obtain the global optima in polynomial time. We apply our approach to develop new forward and sidewinding behaviors in a hexapod and a 12-legged centipede. We verify our predictions using numerical and robophysical models, and obtain novel and effective locomotion behaviors.
We present a neural flow wavefunction, Gauge-Fermion FlowNet, and use it to simulate 2+1D lattice compact quantum electrodynamics with finite density dynamical fermions. The gauge field is represented by a neural network which parameterizes a discretized flow-based transformation of the amplitude while the fermionic sign structure is represented by a neural net backflow. This approach directly represents the $U(1)$ degree of freedom without any truncation, obeys Guass's law by construction, samples autoregressively avoiding any equilibration time, and variationally simulates Gauge-Fermion systems with sign problems accurately. In this model, we investigate confinement and string breaking phenomena in different fermion density and hopping regimes. We study the phase transition from the charge crystal phase to the vacuum phase at zero density, and observe the phase seperation and the net charge penetration blocking effect under magnetic interaction at finite density. In addition, we investigate a magnetic phase transition due to the competition effect between the kinetic energy of fermions and the magnetic energy of the gauge field. With our method, we further note potential differences on the order of the phase transitions between a continuous $U(1)$ system and one with finite truncation. Our state-of-the-art neural network approach opens up new possibilities to study different gauge theories coupled to dynamical matter in higher dimensions.