Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons''), KANs have learnable activation functions on edges ("weights''). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability, on small-scale AI + Science tasks. For accuracy, smaller KANs can achieve comparable or better accuracy than larger MLPs in function fitting tasks. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful ``collaborators'' helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs. Despite the slow training of KANs, their improved accuracy and interpretability show the potential to improve today's deep learning models which rely heavily on MLPs. More research is necessary to make KANs' training more efficient.

We present a universal theoretical framework for understanding *long-context language modeling* based on a *bipartite* mutual information scaling law that we rigorously verify in natural language. We demonstrate that bipartite mutual information captures multi-token interactions distinct from and scaling independently of conventional two-point mutual information, and show that this provides a more complete characterization of the dependencies needed for accurately modeling long sequences. Leveraging this scaling law, we formulate the **L**ong-context **L**anguage **M**odeling (**L**$^2$**M**) condition, which lower bounds the necessary scaling of a model's history state—the latent variables responsible for storing past information—for effective long-context modeling. We validate the framework and its predictions on transformer and state-space models. Our work provides a principled foundation to understand long-context modeling and to design more efficient architectures with stronger long-context capabilities, with potential applications beyond natural language.

Attention mechanisms play a crucial role in the neural revolution of Natural Language Processing (NLP). With the growth of attention-based models, several pruning techniques have been developed to identify and exploit sparseness, making these models more efficient. Most efforts focus on hard-coding attention patterns or pruning attention weights based on training data. We propose Attention Pruning (AP), a framework that observes attention patterns in a fixed dataset and generates a global sparseness mask. AP saves 90% of attention computation for language modeling and about 50% for machine translation and GLUE tasks, maintaining result quality. Our method reveals important distinctions between self- and cross-attention patterns, guiding future NLP research. Our framework can reduce both latency and memory requirements for any attention-based model, aiding in the development of improved models for existing or new NLP applications. We have demonstrated this with encoder and autoregressive transformer models using Triton GPU kernels and make our code publicly available at https://github.com/irugina/AP

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 *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 propose **Quan**tum-informed **T**ensor **A**daptation (**QuanTA**), a novel, easy-to-implement, fine-tuning method with no inference overhead for large-scale pre-trained language models. By leveraging quantum-inspired methods derived from quantum circuit structures, QuanTA enables efficient *high-rank* fine-tuning, surpassing the limitations of Low-Rank Adaptation (LoRA)---low-rank approximation may fail for complicated downstream tasks. Our approach is theoretically supported by the universality theorem and the rank representation theorem to achieve efficient high-rank adaptations. Experiments demonstrate that QuanTA significantly enhances commonsense reasoning, arithmetic reasoning, and scalability compared to traditional methods. Furthermore, QuanTA shows superior performance with fewer trainable parameters compared to other approaches and can be designed to integrate with existing fine-tuning algorithms for further improvement, providing a scalable and efficient solution for fine-tuning large language models and advancing state-of-the-art in natural language processing.

Despite significant advancements in text generation and reasoning, Large Language Models (LLMs) still face challenges in accurately performing complex arithmetic operations. Language model systems often enable LLMs to generate code for arithmetic operations to achieve accurate calculations. However, this approach compromises speed and security, and fine-tuning risks the language model losing prior capabilities. We propose a framework that enables exact arithmetic in *a single autoregressive step*, providing faster, more secure, and more interpretable LLM systems with arithmetic capabilities. We use the hidden states of a LLM to control a symbolic architecture that performs arithmetic. Our implementation using Llama 3 with OccamNet as a symbolic model (OccamLlama) achieves 100\% accuracy on single arithmetic operations ($+,-,\times,\div,\sin{},\cos{},\log{},\exp{},\sqrt{}$), outperforming GPT 4o with and without a code interpreter. Furthermore, OccamLlama outperforms GPT 4o with and without a code interpreter on average across a range of mathematical problem solving benchmarks, demonstrating that OccamLLMs can excel in arithmetic tasks, even surpassing much larger models. Code is available at https://github.com/druidowm/OccamLLM.

Symbolic regression is a machine learning technique that can learn the equations governing data and thus has the potential to transform scientific discovery. However, symbolic regression is still limited in the complexity and dimensionality of the systems that it can analyze. Deep learning, on the other hand, has transformed machine learning in its ability to analyze extremely complex and high-dimensional datasets. We propose a neural network architecture to extend symbolic regression to parametric systems where some coefficient may vary, but the structure of the underlying governing equation remains constant. We demonstrate our method on various analytic expressions and partial differential equations (PDEs) with varying coefficients and show that it extrapolates well outside of the training domain. The proposed neural-network-based architecture can also be enhanced by integrating with other deep learning architectures such that it can analyze high-dimensional data while being trained end-to-end. To this end, we demonstrate the scalability of our architecture by incorporating a convolutional encoder to analyze 1-D images of varying spring systems.

Studying the dynamics of open quantum systems can enable breakthroughs both in fundamental physics and applications to quantum engineering and quantum computation. Since the density matrix $\rho$, which is the fundamental description for the dynamics of such systems, is high-dimensional, customized deep generative neural networks have been instrumental in modeling $\rho$. 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.

Deep ensembles (DE) have been successful in improving model performance by learning diverse members via the stochasticity of random initialization. While recent works have attempted to promote further diversity in DE via hyperparameters or regularizing loss functions, these methods primarily still rely on a stochastic approach to explore the hypothesis space. In this work, we present Multi-Symmetry Ensembles (MSE), a framework for constructing diverse ensembles by capturing the multiplicity of hypotheses along symmetry axes, which explore the hypothesis space beyond stochastic perturbations of model weights and hyperparameters. We leverage recent advances in contrastive representation learning to create models that separately capture opposing hypotheses of invariant and equivariant functional classes and present a simple ensembling approach to efficiently combine appropriate hypotheses for a given task. We show that MSE effectively captures the multiplicity of conflicting hypotheses that is often required in large, diverse datasets like ImageNet. As a result of their inherent diversity, MSE improves classification performance, uncertainty quantification, and generalization across a series of transfer tasks. Our code is available at https://github.com/clott3/multi-sym-ensem

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 inductive bias. 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, allows for 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 quantum state learning as well as finding the ground state of the challenging 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 quantum many-body physics simulation, quantum technology design, and generative modeling in artificial intelligence.

Quantum optimization, a key application of quantum computing, has traditionally been stymied by the linearly increasing complexity of gradient calculations with an increasing number of parameters. This work bridges the gap between Koopman operator theory, which has found utility in applications because it allows for a linear representation of nonlinear dynamical systems, and natural gradient methods in quantum optimization, leading to a significant acceleration of gradient-based quantum optimization. We present Quantum-circuit Alternating Controlled Koopman learning (QuACK), a novel framework that leverages an alternating algorithm for efficient prediction of gradient dynamics on quantum computers. We demonstrate QuACK's remarkable ability to accelerate gradient-based optimization across a range of applications in quantum optimization and machine learning. In fact, our empirical studies, spanning quantum chemistry, quantum condensed matter, quantum machine learning, and noisy environments, have shown accelerations of more than 200x speedup in the overparameterized regime, 10x speedup in the smooth regime, and 3x speedup in the non-smooth regime. With QuACK, we offer a robust advancement that harnesses the advantage of gradient-based quantum optimization for practical benefits.

Yung-Sung Chuang, Rumen Dangovski, Hongyin Luo, Yang Zhang, Shiyu Chang, Marin Soljacic, Shang-Wen Li, Scott Yih, Yoon Kim, James Glass. Proceedings of the 2022 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies. 2022.

We propose to study Automating Science Journalism (ASJ), the process of producing a layman's terms summary of a research article, as a new benchmark for long neural abstractive summarization and story generation. Automating science journalism is a challenging task as it requires paraphrasing complex scientific concepts to be grasped by the general public. Thus, we create a specialized dataset that contains scientific papers and their Science Daily press releases. We demonstrate numerous sequence to sequence (seq2seq) applications using Science Daily with the aim of facilitating further research on language generation, which requires extreme paraphrasing and coping with long research articles. We further improve the quality of the press releases using co-training with scientific abstracts of sources or partitioned press releases. Finally, we apply evaluation measures beyond ROUGE and we demonstrate improved performance for our method over strong baselines, which we further confirm by quantitative and qualitative evaluation.

Meteorological applications such as precipitation nowcasting, synthetic radar generation, statistical downscaling and others have benefited from deep learning (DL) approaches, however several challenges remain for widespread adaptation of these complex models in operational systems. One of these challenges is adequate generalizability; deep learning models trained from datasets collected in specific contexts should not be expected to perform as well when applied to different contexts required by large operational systems. One obvious mitigation for this is to collect massive amounts of training data that cover all expected meteorological contexts, however this is not only costly and difficult to manage, but is also not possible in many parts of the globe where certain sensing platforms are sparse. In this paper, we describe an application of transfer learning to perform domain transfer for deep learning models. We demonstrate a transfer learning algorithm called weight superposition to adapt a Convolutional Neural Network trained in a source context to a new target context. Weight superposition is a method for storing multiple models within a single set of parameters thus greatly simplifying model maintenance and training. This approach also addresses the issue of catastrophic forgetting where a model, once adapted to a new context, performs poorly in the original context. We apply weight superposition to the problem of synthetic weather radar generation and show that in scenarios where the target context has less data, a model adapted with weight superposition is better at maintaining performance when compared to simpler methods. Conversely, the simple adapted model performs better on the source context when the source and target contexts have comparable amounts of data.

Symbolic regression is a powerful technique to discover analytic equations that describe data, which can lead to explainable models and the ability to predict unseen data. In contrast, neural networks have achieved amazing levels of accuracy on image recognition and natural language processing tasks, but they are often seen as black-box models that are difficult to interpret and typically extrapolate poorly. In this article, we use a neural network-based architecture for symbolic regression called the equation learner (EQL) network and integrate it with other deep learning architectures such that the whole system can be trained end-to-end through backpropagation. To demonstrate the power of such systems, we study their performance on several substantially different tasks. First, we show that the neural network can perform symbolic regression and learn the form of several functions. Next, we present an MNIST arithmetic task where a convolutional network extracts the digits. Finally, we demonstrate the prediction of dynamical systems where an unknown parameter is extracted through an encoder. We find that the EQL-based architecture can extrapolate quite well outside of the training data set compared with a standard neural network-based architecture, paving the way for deep learning to be applied in scientific exploration and discovery.

We present a novel recurrent neural network (RNN)-based model that combines the remembering ability of unitary evolution RNNs with the ability of gated RNNs to effectively forget redundant or irrelevant information in its memory. We achieve this by extending restricted orthogonal evolution RNNs with a gating mechanism similar to gated recurrent unit RNNs with a reset gate and an update gate. Our model is able to outperform long short-term memory, gated recurrent units, and vanilla unitary or orthogonal RNNs on several long-term-dependency benchmark tasks. We empirically show that both orthogonal and unitary RNNs lack the ability to forget. This ability plays an important role in RNNs. We provide competitive results along with an analysis of our model on many natural sequential tasks, including question answering, speech spectrum prediction, character-level language modeling, and synthetic tasks that involve long-term dependencies such as algorithmic, denoising, and copying tasks.

Stacking long short-term memory (LSTM) cells or gated recurrent units (GRUs) as part of a recurrent neural network (RNN) has become a standard approach to solving a number of tasks ranging from language modeling to text summarization. Although LSTMs and GRUs were designed to model long-range dependencies more accurately than conventional RNNs, they nevertheless have problems copying or recalling information from the long distant past. Here, we derive a phase-coded representation of the memory state, Rotational Unit of Memory (RUM), that unifies the concepts of unitary learning and associative memory. We show experimentally that RNNs based on RUMs can solve basic sequential tasks such as memory copying and memory recall much better than LSTMs/GRUs. We further demonstrate that by replacing LSTM/GRU with RUM units we can apply neural networks to real-world problems such as language modeling and text summarization, yielding results comparable to the state of the art.

Using unitary (instead of general) matrices in artificial neural networks (ANNs) is a promising way to solve the gradient explosion/vanishing problem, as well as to enable ANNs to learn long-term correlations in the data. This approach appears particularly promising for Recurrent Neural Networks (RNNs). In this work, we present a new architecture for implementing an Efficient Unitary Neural Network (EUNNs); its main advantages can be summarized as follows. Firstly, the representation capacity of the unitary space in an EUNN is fully tunable, ranging from a subspace of SU(N) to the entire unitary space. Secondly, the computational complexity for training an EUNN is merely $\mathcal{O}(1)$ per parameter. Finally, we test the performance of EUNNs on the standard copying task, the pixel-permuted MNIST digit recognition benchmark as well as the Speech Prediction Test (TIMIT). We find that our architecture significantly outperforms both other state-of-the-art unitary RNNs and the LSTM architecture, in terms of the final performance and/or the wall-clock training speed. EUNNs are thus promising alternatives to RNNs and LSTMs for a wide variety of applications.

Plasmons in graphene have intriguing fundamental properties and hold great potential for applications. They enable strong confinement of electromagnetic energy at subwavelength scales, which can be tuned and controlled via gate voltage, providing an advantage for graphene's plasmons over surface plasmons (SPs) on a metal-dielectric interface. They have been described for a large span of frequencies from terahertz up to infrared and even in the visible. We provide a critical review of the current knowledge of graphene plasmon properties (dispersion and linewidth) with particular emphasis on plasmonic losses and the competition between different decay channels, which are not yet fully understood. Plasmons in graphene provide an insight into interesting many-body effects such as those arising from the electron-phonon interaction and electron-electron interactions, including hybrid plasmon-phonon collective excitations (either with intrinsic or substrate phonons) and plasmarons. We provide a comparison of SPs on a metal-dielectric interface with plasmons in graphene and 2-D metallic monolayers. We finally outline the potential for graphene's plasmons for applications.