Daily Papers

Diffusion or flow-based models are powerful generative paradigms that are notoriously hard to sample as samples are defined as solutions to high-dimensional Ordinary or Stochastic Differential Equations (ODEs/SDEs) which require a large Number of Function Evaluations (NFE) to approximate well. Existing methods to alleviate the costly sampling process include model distillation and designing dedicated ODE solvers. However, distillation is costly to train and sometimes can deteriorate quality, while dedicated solvers still require relatively large NFE to produce high quality samples. In this paper we introduce "Bespoke solvers", a novel framework for constructing custom ODE solvers tailored to the ODE of a given pre-trained flow model. Our approach optimizes an order consistent and parameter-efficient solver (e.g., with 80 learnable parameters), is trained for roughly 1% of the GPU time required for training the pre-trained model, and significantly improves approximation and generation quality compared to dedicated solvers. For example, a Bespoke solver for a CIFAR10 model produces samples with Fr\'echet Inception Distance (FID) of 2.73 with 10 NFE, and gets to 1% of the Ground Truth (GT) FID (2.59) for this model with only 20 NFE. On the more challenging ImageNet-64times64, Bespoke samples at 2.2 FID with 10 NFE, and gets within 2% of GT FID (1.71) with 20 NFE.

Synthesizing optimal controllers for dynamical systems often involves solving optimization problems with hard real-time constraints. These constraints determine the class of numerical methods that can be applied: computationally expensive but accurate numerical routines are replaced by fast and inaccurate methods, trading inference time for solution accuracy. This paper provides techniques to improve the quality of optimized control policies given a fixed computational budget. We achieve the above via a hypersolvers approach, which hybridizes a differential equation solver and a neural network. The performance is evaluated in direct and receding-horizon optimal control tasks in both low and high dimensions, where the proposed approach shows consistent Pareto improvements in solution accuracy and control performance.

Distillation techniques have substantially improved the sampling speed of diffusion models, allowing of the generation within only one step or a few steps. However, these distillation methods require extensive training for each dataset, sampler, and network, which limits their practical applicability. To address this limitation, we propose a straightforward distillation approach, Distilled-ODE solvers (D-ODE solvers), that optimizes the ODE solver rather than training the denoising network. D-ODE solvers are formulated by simply applying a single parameter adjustment to existing ODE solvers. Subsequently, D-ODE solvers with smaller steps are optimized by ODE solvers with larger steps through distillation over a batch of samples. Our comprehensive experiments indicate that D-ODE solvers outperform existing ODE solvers, including DDIM, PNDM, DPM-Solver, DEIS, and EDM, especially when generating samples with fewer steps. Our method incur negligible computational overhead compared to previous distillation techniques, enabling simple and rapid integration with previous samplers. Qualitative analysis further shows that D-ODE solvers enhance image quality while preserving the sampling trajectory of ODE solvers.

Automated math word problem solvers based on neural networks have successfully managed to obtain 70-80\% accuracy in solving arithmetic word problems. However, it has been shown that these solvers may rely on superficial patterns to obtain their equations. In order to determine what information math word problem solvers use to generate solutions, we remove parts of the input and measure the model's performance on the perturbed dataset. Our results show that the model is not sensitive to the removal of many words from the input and can still manage to find a correct answer when given a nonsense question. This indicates that automatic solvers do not follow the semantic logic of math word problems, and may be overfitting to the presence of specific words.

The NeuroSAT neural network architecture was recently introduced for predicting properties of propositional formulae. When trained to predict the satisfiability of toy problems, it was shown to find solutions and unsatisfiable cores on its own. However, the authors saw "no obvious path" to using the architecture to improve the state-of-the-art. In this work, we train a simplified NeuroSAT architecture to directly predict the unsatisfiable cores of real problems. We modify several high-performance SAT solvers to periodically replace their variable activity scores with NeuroSAT's prediction of how likely the variables are to appear in an unsatisfiable core. The modified MiniSat solves 10% more problems on SAT-COMP 2018 within the standard 5,000 second timeout than the original does. The modified Glucose solves 11% more problems than the original, while the modified Z3 solves 6% more. The gains are even greater when the training is specialized for a specific distribution of problems; on a benchmark of hard problems from a scheduling domain, the modified Glucose solves 20% more problems than the original does within a one-hour timeout. Our results demonstrate that NeuroSAT can provide effective guidance to high-performance SAT solvers on real problems.

Crosswords are a form of word puzzle that require a solver to demonstrate a high degree of proficiency in natural language understanding, wordplay, reasoning, and world knowledge, along with adherence to character and length constraints. In this paper we tackle the challenge of solving crosswords with Large Language Models (LLMs). We demonstrate that the current generation of state-of-the art (SoTA) language models show significant competence at deciphering cryptic crossword clues, and outperform previously reported SoTA results by a factor of 2-3 in relevant benchmarks. We also develop a search algorithm that builds off this performance to tackle the problem of solving full crossword grids with LLMs for the very first time, achieving an accuracy of 93\% on New York Times crossword puzzles. Contrary to previous work in this area which concluded that LLMs lag human expert performance significantly, our research suggests this gap is a lot narrower.

Recently, neural networks have been extensively employed to solve partial differential equations (PDEs) in physical system modeling. While major studies focus on learning system evolution on predefined static mesh discretizations, some methods utilize reinforcement learning or supervised learning techniques to create adaptive and dynamic meshes, due to the dynamic nature of these systems. However, these approaches face two primary challenges: (1) the need for expensive optimal mesh data, and (2) the change of the solution space's degree of freedom and topology during mesh refinement. To address these challenges, this paper proposes a neural PDE solver with a neural mesh adapter. To begin with, we introduce a novel data-free neural mesh adaptor, called Data-free Mesh Mover (DMM), with two main innovations. Firstly, it is an operator that maps the solution to adaptive meshes and is trained using the Monge-Amp\`ere equation without optimal mesh data. Secondly, it dynamically changes the mesh by moving existing nodes rather than adding or deleting nodes and edges. Theoretical analysis shows that meshes generated by DMM have the lowest interpolation error bound. Based on DMM, to efficiently and accurately model dynamic systems, we develop a moving mesh based neural PDE solver (MM-PDE) that embeds the moving mesh with a two-branch architecture and a learnable interpolation framework to preserve information within the data. Empirical experiments demonstrate that our method generates suitable meshes and considerably enhances accuracy when modeling widely considered PDE systems. The code can be found at: https://github.com/Peiyannn/MM-PDE.git.

Efficient numerical solvers for partial differential equations empower science and engineering. One of the commonly employed numerical solvers is the preconditioned conjugate gradient (PCG) algorithm which can solve large systems to a given precision level. One challenge in PCG solvers is the selection of preconditioners, as different problem-dependent systems can benefit from different preconditioners. We present a new method to introduce inductive bias in preconditioning conjugate gradient algorithm. Given a system matrix and a set of solution vectors arise from an underlying distribution, we train a graph neural network to obtain an approximate decomposition to the system matrix to be used as a preconditioner in the context of PCG solvers. We conduct extensive experiments to demonstrate the efficacy and generalizability of our proposed approach in solving various 2D and 3D linear second-order PDEs.

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and inverse design, ML-based surrogate models are increasingly used to augment or replace inefficient and often non-differentiable numerical simulation algorithms. While a number of ML-based methods for approximating the solutions of PDEs have been proposed in recent years, they typically do not adapt to the parameters of the PDEs, making it difficult to generalize to PDE parameters not seen during training. We propose a Channel Attention mechanism guided by PDE Parameter Embeddings (CAPE) component for neural surrogate models and a simple yet effective curriculum learning strategy. The CAPE module can be combined with neural PDE solvers allowing them to adapt to unseen PDE parameters. The curriculum learning strategy provides a seamless transition between teacher-forcing and fully auto-regressive training. We compare CAPE in conjunction with the curriculum learning strategy using a popular PDE benchmark and obtain consistent and significant improvements over the baseline models. The experiments also show several advantages of CAPE, such as its increased ability to generalize to unseen PDE parameters without large increases inference time and parameter count.

We introduce the use of generative adversarial learning to compute equilibria in general game-theoretic settings, specifically the generalized Nash equilibrium (GNE) in pseudo-games, and its specific instantiation as the competitive equilibrium (CE) in Arrow-Debreu competitive economies. Pseudo-games are a generalization of games in which players' actions affect not only the payoffs of other players but also their feasible action spaces. Although the computation of GNE and CE is intractable in the worst-case, i.e., PPAD-hard, in practice, many applications only require solutions with high accuracy in expectation over a distribution of problem instances. We introduce Generative Adversarial Equilibrium Solvers (GAES): a family of generative adversarial neural networks that can learn GNE and CE from only a sample of problem instances. We provide computational and sample complexity bounds, and apply the framework to finding Nash equilibria in normal-form games, CE in Arrow-Debreu competitive economies, and GNE in an environmental economic model of the Kyoto mechanism.

The numerical solution of partial differential equations (PDEs) is difficult, having led to a century of research so far. Recently, there have been pushes to build neural--numerical hybrid solvers, which piggy-backs the modern trend towards fully end-to-end learned systems. Most works so far can only generalize over a subset of properties to which a generic solver would be faced, including: resolution, topology, geometry, boundary conditions, domain discretization regularity, dimensionality, etc. In this work, we build a solver, satisfying these properties, where all the components are based on neural message passing, replacing all heuristically designed components in the computation graph with backprop-optimized neural function approximators. We show that neural message passing solvers representationally contain some classical methods, such as finite differences, finite volumes, and WENO schemes. In order to encourage stability in training autoregressive models, we put forward a method that is based on the principle of zero-stability, posing stability as a domain adaptation problem. We validate our method on various fluid-like flow problems, demonstrating fast, stable, and accurate performance across different domain topologies, equation parameters, discretizations, etc., in 1D and 2D.

We propose the convergent graph solver (CGS), a deep learning method that learns iterative mappings to predict the properties of a graph system at its stationary state (fixed point) with guaranteed convergence. CGS systematically computes the fixed points of a target graph system and decodes them to estimate the stationary properties of the system without the prior knowledge of existing solvers or intermediate solutions. The forward propagation of CGS proceeds in three steps: (1) constructing the input dependent linear contracting iterative maps, (2) computing the fixed-points of the linear maps, and (3) decoding the fixed-points to estimate the properties. The contractivity of the constructed linear maps guarantees the existence and uniqueness of the fixed points following the Banach fixed point theorem. To train CGS efficiently, we also derive a tractable analytical expression for its gradient by leveraging the implicit function theorem. We evaluate the performance of CGS by applying it to various network-analytic and graph benchmark problems. The results indicate that CGS has competitive capabilities for predicting the stationary properties of graph systems, irrespective of whether the target systems are linear or non-linear. CGS also shows high performance for graph classification problems where the existence or the meaning of a fixed point is hard to be clearly defined, which highlights the potential of CGS as a general graph neural network architecture.

This paper introduces rStar, a self-play mutual reasoning approach that significantly improves reasoning capabilities of small language models (SLMs) without fine-tuning or superior models. rStar decouples reasoning into a self-play mutual generation-discrimination process. First, a target SLM augments the Monte Carlo Tree Search (MCTS) with a rich set of human-like reasoning actions to construct higher quality reasoning trajectories. Next, another SLM, with capabilities similar to the target SLM, acts as a discriminator to verify each trajectory generated by the target SLM. The mutually agreed reasoning trajectories are considered mutual consistent, thus are more likely to be correct. Extensive experiments across five SLMs demonstrate rStar can effectively solve diverse reasoning problems, including GSM8K, GSM-Hard, MATH, SVAMP, and StrategyQA. Remarkably, rStar boosts GSM8K accuracy from 12.51% to 63.91% for LLaMA2-7B, from 36.46% to 81.88% for Mistral-7B, from 74.53% to 91.13% for LLaMA3-8B-Instruct. Code will be available at https://github.com/zhentingqi/rStar.

Logical reasoning is a fundamental aspect of human intelligence and a key component of tasks like problem-solving and decision-making. Recent advancements have enabled Large Language Models (LLMs) to potentially exhibit reasoning capabilities, but complex logical reasoning remains a challenge. The state-of-the-art, solver-augmented language models, use LLMs to parse natural language logical questions into symbolic representations first and then adopt external logical solvers to take in the symbolic representations and output the answers. Despite their impressive performance, any parsing errors will inevitably result in the failure of the execution of the external logical solver and no answer to the logical questions. In this paper, we introduce LoGiPT, a novel language model that directly emulates the reasoning processes of logical solvers and bypasses the parsing errors by learning to strict adherence to solver syntax and grammar. LoGiPT is fine-tuned on a newly constructed instruction-tuning dataset derived from revealing and refining the invisible reasoning process of deductive solvers. Experimental results on two public deductive reasoning datasets demonstrate that LoGiPT outperforms state-of-the-art solver-augmented LMs and few-shot prompting methods on competitive LLMs like ChatGPT or GPT-4.

Time-dependent partial differential equations (PDEs) are ubiquitous in science and engineering. Recently, mostly due to the high computational cost of traditional solution techniques, deep neural network based surrogates have gained increased interest. The practical utility of such neural PDE solvers relies on their ability to provide accurate, stable predictions over long time horizons, which is a notoriously hard problem. In this work, we present a large-scale analysis of common temporal rollout strategies, identifying the neglect of non-dominant spatial frequency information, often associated with high frequencies in PDE solutions, as the primary pitfall limiting stable, accurate rollout performance. Based on these insights, we draw inspiration from recent advances in diffusion models to introduce PDE-Refiner; a novel model class that enables more accurate modeling of all frequency components via a multistep refinement process. We validate PDE-Refiner on challenging benchmarks of complex fluid dynamics, demonstrating stable and accurate rollouts that consistently outperform state-of-the-art models, including neural, numerical, and hybrid neural-numerical architectures. We further demonstrate that PDE-Refiner greatly enhances data efficiency, since the denoising objective implicitly induces a novel form of spectral data augmentation. Finally, PDE-Refiner's connection to diffusion models enables an accurate and efficient assessment of the model's predictive uncertainty, allowing us to estimate when the surrogate becomes inaccurate.

This paper introduces an approach for learning to solve continuous constraint satisfaction problems (CCSP) in robotic reasoning and planning. Previous methods primarily rely on hand-engineering or learning generators for specific constraint types and then rejecting the value assignments when other constraints are violated. By contrast, our model, the compositional diffusion continuous constraint solver (Diffusion-CCSP) derives global solutions to CCSPs by representing them as factor graphs and combining the energies of diffusion models trained to sample for individual constraint types. Diffusion-CCSP exhibits strong generalization to novel combinations of known constraints, and it can be integrated into a task and motion planner to devise long-horizon plans that include actions with both discrete and continuous parameters. Project site: https://diffusion-ccsp.github.io/

The most recent large language models such as ChatGPT and GPT-4 have garnered significant attention, as they are capable of generating high-quality responses to human input. Despite the extensive testing of ChatGPT and GPT-4 on generic text corpora, showcasing their impressive capabilities, a study focusing on financial corpora has not been conducted. In this study, we aim to bridge this gap by examining the potential of ChatGPT and GPT-4 as a solver for typical financial text analytic problems in the zero-shot or few-shot setting. Specifically, we assess their capabilities on four representative tasks over five distinct financial textual datasets. The preliminary study shows that ChatGPT and GPT-4 struggle on tasks such as financial named entity recognition (NER) and sentiment analysis, where domain-specific knowledge is required, while they excel in numerical reasoning tasks. We report both the strengths and limitations of the current versions of ChatGPT and GPT-4, comparing them to the state-of-the-art finetuned models as well as pretrained domain-specific generative models. Our experiments provide qualitative studies, through which we hope to help understand the capability of the existing models and facilitate further improvements.

We present ConDiff, a novel dataset for scientific machine learning. ConDiff focuses on the parametric diffusion equation with space dependent coefficients, a fundamental problem in many applications of partial differential equations (PDEs). The main novelty of the proposed dataset is that we consider discontinuous coefficients with high contrast. These coefficient functions are sampled from a selected set of distributions. This class of problems is not only of great academic interest, but is also the basis for describing various environmental and industrial problems. In this way, ConDiff shortens the gap with real-world problems while remaining fully synthetic and easy to use. ConDiff consists of a diverse set of diffusion equations with coefficients covering a wide range of contrast levels and heterogeneity with a measurable complexity metric for clearer comparison between different coefficient functions. We baseline ConDiff on standard deep learning models in the field of scientific machine learning. By providing a large number of problem instances, each with its own coefficient function and right-hand side, we hope to encourage the development of novel physics-based deep learning approaches, such as neural operators, ultimately driving progress towards more accurate and efficient solutions of complex PDE problems.

Mathematical modeling involves representing real-world phenomena, systems, or problems using mathematical expressions and equations to analyze, understand, and predict their behavior. Given that this process typically requires experienced experts, there is an interest in exploring whether Large Language Models (LLMs) can undertake mathematical modeling to potentially decrease human labor. To evaluate of LLMs in mathematical modeling, we introduce a new benchmark, Mamo, that transcends traditional result-oriented assessments. Unlike conventional methods that primarily assess LLMs based on the accuracy of solutions to mathematical problems, our approach offers deeper insight into the modeling process itself. By focusing on the processes LLMs undertake rather than the correctness of their final solutions, Mamo pioneers a novel evaluation paradigm. This shift underscores the importance of understanding the inherent modeling capabilities of LLMs, paving the way for a more nuanced and comprehensive analysis of their problem-solving strategies. Our work marks a significant advancement in the field, suggesting a new direction for future research by emphasizing the evaluation of LLMs' modeling processes over the mere correctness of answers. This benchmark not only facilitates a better understanding of LLMs' mathematical modeling capabilities but also sets a new standard for evaluating their performance in complex problem-solving scenarios.

The recent advent of diffusion models has led to significant progress in solving inverse problems, leveraging these models as effective generative priors. Nonetheless, challenges related to the ill-posed nature of such problems remain, often due to inherent ambiguities in measurements. Drawing inspiration from the human ability to resolve visual ambiguities through perceptual biases, here we introduce a novel latent diffusion inverse solver by incorporating regularization by texts (TReg). Specifically, TReg applies the textual description of the preconception of the solution during the reverse sampling phase, of which description isndynamically reinforced through null-text optimization for adaptive negation. Our comprehensive experimental results demonstrate that TReg successfully mitigates ambiguity in latent diffusion inverse solvers, enhancing their effectiveness and accuracy.

The growing body of research shows how to replace classical partial differential equation (PDE) integrators with neural networks. The popular strategy is to generate the input-output pairs with a PDE solver, train the neural network in the regression setting, and use the trained model as a cheap surrogate for the solver. The bottleneck in this scheme is the number of expensive queries of a PDE solver needed to generate the dataset. To alleviate the problem, we propose a computationally cheap augmentation strategy based on general covariance and simple random coordinate transformations. Our approach relies on the fact that physical laws are independent of the coordinate choice, so the change in the coordinate system preserves the type of a parametric PDE and only changes PDE's data (e.g., initial conditions, diffusion coefficient). For tried neural networks and partial differential equations, proposed augmentation improves test error by 23% on average. The worst observed result is a 17% increase in test error for multilayer perceptron, and the best case is a 80% decrease for dilated residual network.

Large Language Models (LLMs) have achieved human-level proficiency across diverse tasks, but their ability to perform rigorous mathematical problem solving remains an open challenge. In this work, we investigate a fundamental yet computationally intractable problem: determining whether a given multivariate polynomial is nonnegative. This problem, closely related to Hilbert's Seventeenth Problem, plays a crucial role in global polynomial optimization and has applications in various fields. First, we introduce SoS-1K, a meticulously curated dataset of approximately 1,000 polynomials, along with expert-designed reasoning instructions based on five progressively challenging criteria. Evaluating multiple state-of-the-art LLMs, we find that without structured guidance, all models perform only slightly above the random guess baseline 50%. However, high-quality reasoning instructions significantly improve accuracy, boosting performance up to 81%. Furthermore, our 7B model, SoS-7B, fine-tuned on SoS-1K for just 4 hours, outperforms the 671B DeepSeek-V3 and GPT-4o-mini in accuracy while only requiring 1.8% and 5% of the computation time needed for letters, respectively. Our findings highlight the potential of LLMs to push the boundaries of mathematical reasoning and tackle NP-hard problems.

We introduce SymbolicAI, a versatile and modular framework employing a logic-based approach to concept learning and flow management in generative processes. SymbolicAI enables the seamless integration of generative models with a diverse range of solvers by treating large language models (LLMs) as semantic parsers that execute tasks based on both natural and formal language instructions, thus bridging the gap between symbolic reasoning and generative AI. We leverage probabilistic programming principles to tackle complex tasks, and utilize differentiable and classical programming paradigms with their respective strengths. The framework introduces a set of polymorphic, compositional, and self-referential operations for data stream manipulation, aligning LLM outputs with user objectives. As a result, we can transition between the capabilities of various foundation models endowed with zero- and few-shot learning capabilities and specialized, fine-tuned models or solvers proficient in addressing specific problems. In turn, the framework facilitates the creation and evaluation of explainable computational graphs. We conclude by introducing a quality measure and its empirical score for evaluating these computational graphs, and propose a benchmark that compares various state-of-the-art LLMs across a set of complex workflows. We refer to the empirical score as the "Vector Embedding for Relational Trajectory Evaluation through Cross-similarity", or VERTEX score for short. The framework codebase and benchmark are linked below.

We present a novel approach to formalise and solve search-based problems using large language models, which significantly improves upon previous state-of-the-art results. We demonstrate the efficacy of this approach on the logic puzzles benchmark ZebraLogicBench. Instead of letting the LLM attempt to directly solve the puzzles, our method prompts the model to formalise the problem in a logic-focused domain-specific language (DSL) called Logic.py. This formalised representation is then solved using a constraint solver, leveraging the strengths of both the language model and the solver. Our approach achieves a remarkable 65% absolute improvement over the baseline performance of Llama 3.1 70B on ZebraLogicBench, setting a new state-of-the-art with an accuracy of over 90%. This significant advancement demonstrates the potential of combining language models with domain-specific languages and auxiliary tools on traditionally challenging tasks for LLMs.

We propose CAD-Assistant, a general-purpose CAD agent for AI-assisted design. Our approach is based on a powerful Vision and Large Language Model (VLLM) as a planner and a tool-augmentation paradigm using CAD-specific modules. CAD-Assistant addresses multimodal user queries by generating actions that are iteratively executed on a Python interpreter equipped with the FreeCAD software, accessed via its Python API. Our framework is able to assess the impact of generated CAD commands on geometry and adapts subsequent actions based on the evolving state of the CAD design. We consider a wide range of CAD-specific tools including Python libraries, modules of the FreeCAD Python API, helpful routines, rendering functions and other specialized modules. We evaluate our method on multiple CAD benchmarks and qualitatively demonstrate the potential of tool-augmented VLLMs as generic CAD task solvers across diverse CAD workflows.

In this paper, we present a novel approach for distilling math word problem solving capabilities from large language models (LLMs) into smaller, more efficient student models. Our approach is designed to consider the student model's weaknesses and foster a tailored learning experience by generating targeted exercises aligned with educational science principles, such as knowledge tracing and personalized learning. Concretely, we let GPT-3 be a math tutor and run two steps iteratively: 1) assessing the student model's current learning status on a GPT-generated exercise book, and 2) improving the student model by training it with tailored exercise samples generated by GPT-3. Experimental results reveal that our approach outperforms LLMs (e.g., GPT-3 and PaLM) in accuracy across three distinct benchmarks while employing significantly fewer parameters. Furthermore, we provide a comprehensive analysis of the various components within our methodology to substantiate their efficacy.

Large Language Models (LLMs) have shown human-like reasoning abilities but still struggle with complex logical problems. This paper introduces a novel framework, Logic-LM, which integrates LLMs with symbolic solvers to improve logical problem-solving. Our method first utilizes LLMs to translate a natural language problem into a symbolic formulation. Afterward, a deterministic symbolic solver performs inference on the formulated problem. We also introduce a self-refinement module, which utilizes the symbolic solver's error messages to revise symbolic formalizations. We demonstrate Logic-LM's effectiveness on five logical reasoning datasets: ProofWriter, PrOntoQA, FOLIO, LogicalDeduction, and AR-LSAT. On average, Logic-LM achieves a significant performance boost of 39.2% over using LLM alone with standard prompting and 18.4% over LLM with chain-of-thought prompting. Our findings suggest that Logic-LM, by combining LLMs with symbolic logic, offers a promising avenue for faithful logical reasoning. Code and data are publicly available at https://github.com/teacherpeterpan/Logic-LLM.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

We present ASDiv (Academia Sinica Diverse MWP Dataset), a diverse (in terms of both language patterns and problem types) English math word problem (MWP) corpus for evaluating the capability of various MWP solvers. Existing MWP corpora for studying AI progress remain limited either in language usage patterns or in problem types. We thus present a new English MWP corpus with 2,305 MWPs that cover more text patterns and most problem types taught in elementary school. Each MWP is annotated with its problem type and grade level (for indicating the level of difficulty). Furthermore, we propose a metric to measure the lexicon usage diversity of a given MWP corpus, and demonstrate that ASDiv is more diverse than existing corpora. Experiments show that our proposed corpus reflects the true capability of MWP solvers more faithfully.

In applications of diffusion models, controllable generation is of practical significance, but is also challenging. Current methods for controllable generation primarily focus on modifying the score function of diffusion models, while Mean Reverting (MR) Diffusion directly modifies the structure of the stochastic differential equation (SDE), making the incorporation of image conditions simpler and more natural. However, current training-free fast samplers are not directly applicable to MR Diffusion. And thus MR Diffusion requires hundreds of NFEs (number of function evaluations) to obtain high-quality samples. In this paper, we propose a new algorithm named MRS (MR Sampler) to reduce the sampling NFEs of MR Diffusion. We solve the reverse-time SDE and the probability flow ordinary differential equation (PF-ODE) associated with MR Diffusion, and derive semi-analytical solutions. The solutions consist of an analytical function and an integral parameterized by a neural network. Based on this solution, we can generate high-quality samples in fewer steps. Our approach does not require training and supports all mainstream parameterizations, including noise prediction, data prediction and velocity prediction. Extensive experiments demonstrate that MR Sampler maintains high sampling quality with a speedup of 10 to 20 times across ten different image restoration tasks. Our algorithm accelerates the sampling procedure of MR Diffusion, making it more practical in controllable generation.

Large language models (LLMs) have achieved impressive performance across various mathematical reasoning benchmarks. However, there are increasing debates regarding whether these models truly understand and apply mathematical knowledge or merely rely on shortcuts for mathematical reasoning. One essential and frequently occurring evidence is that when the math questions are slightly changed, LLMs can behave incorrectly. This motivates us to evaluate the robustness of LLMs' math reasoning capability by testing a wide range of question variations. We introduce the adversarial grade school math (\datasetname) dataset, an extension of GSM8K augmented with various mathematical perturbations. Our experiments on 25 LLMs and 4 prompting techniques show that while LLMs exhibit different levels of math reasoning abilities, their performances are far from robust. In particular, even for problems that have been solved in GSM8K, LLMs can make mistakes when new statements are added or the question targets are altered. We also explore whether more robust performance can be achieved by composing existing prompting methods, in which we try an iterative method that generates and verifies each intermediate thought based on its reasoning goal and calculation result. Code and data are available at https://github.com/qtli/GSM-Plus.

Rebuses are puzzles requiring constrained multi-step reasoning to identify a hidden phrase from a set of images and letters. In this work, we introduce a large collection of verbalized rebuses for the Italian language and use it to assess the rebus-solving capabilities of state-of-the-art large language models. While general-purpose systems such as LLaMA-3 and GPT-4o perform poorly on this task, ad-hoc fine-tuning seems to improve models' performance. However, we find that performance gains from training are largely motivated by memorization. Our results suggest that rebus solving remains a challenging test bed to evaluate large language models' linguistic proficiency and sequential instruction-following skills.

Diffusion probabilistic models (DPMs) have exhibited excellent performance for high-fidelity image generation while suffering from inefficient sampling. Recent works accelerate the sampling procedure by proposing fast ODE solvers that leverage the specific ODE form of DPMs. However, they highly rely on specific parameterization during inference (such as noise/data prediction), which might not be the optimal choice. In this work, we propose a novel formulation towards the optimal parameterization during sampling that minimizes the first-order discretization error of the ODE solution. Based on such formulation, we propose DPM-Solver-v3, a new fast ODE solver for DPMs by introducing several coefficients efficiently computed on the pretrained model, which we call empirical model statistics. We further incorporate multistep methods and a predictor-corrector framework, and propose some techniques for improving sample quality at small numbers of function evaluations (NFE) or large guidance scales. Experiments show that DPM-Solver-v3 achieves consistently better or comparable performance in both unconditional and conditional sampling with both pixel-space and latent-space DPMs, especially in 5sim10 NFEs. We achieve FIDs of 12.21 (5 NFE), 2.51 (10 NFE) on unconditional CIFAR10, and MSE of 0.55 (5 NFE, 7.5 guidance scale) on Stable Diffusion, bringing a speed-up of 15\%sim30\% compared to previous state-of-the-art training-free methods. Code is available at https://github.com/thu-ml/DPM-Solver-v3.

Diffusion probabilistic models (DPMs) have shown remarkable performance in visual synthesis but are computationally expensive due to the need for multiple evaluations during the sampling. Recent predictor-corrector diffusion samplers have significantly reduced the required number of function evaluations (NFE), but inherently suffer from a misalignment issue caused by the extra corrector step, especially with a large classifier-free guidance scale (CFG). In this paper, we introduce a new fast DPM sampler called DC-Solver, which leverages dynamic compensation (DC) to mitigate the misalignment of the predictor-corrector samplers. The dynamic compensation is controlled by compensation ratios that are adaptive to the sampling steps and can be optimized on only 10 datapoints by pushing the sampling trajectory toward a ground truth trajectory. We further propose a cascade polynomial regression (CPR) which can instantly predict the compensation ratios on unseen sampling configurations. Additionally, we find that the proposed dynamic compensation can also serve as a plug-and-play module to boost the performance of predictor-only samplers. Extensive experiments on both unconditional sampling and conditional sampling demonstrate that our DC-Solver can consistently improve the sampling quality over previous methods on different DPMs with a wide range of resolutions up to 1024times1024. Notably, we achieve 10.38 FID (NFE=5) on unconditional FFHQ and 0.394 MSE (NFE=5, CFG=7.5) on Stable-Diffusion-2.1. Code is available at https://github.com/wl-zhao/DC-Solver

Large language models (LLMs), such as ChatGPT and GPT-4, are versatile and can solve different tasks due to their emergent ability and generalizability. However, LLMs sometimes lack domain-specific knowledge to perform tasks, which would also cause hallucination during inference. In some previous works, additional modules like graph neural networks (GNNs) are trained on retrieved knowledge from external knowledge bases, aiming to mitigate the problem of lacking domain-specific knowledge. However, incorporating additional modules: 1) would need retraining additional modules when encountering novel domains; 2) would become a bottleneck since LLMs' strong abilities are not fully utilized for retrieval. In this paper, we propose a paradigm, termed Knowledge Solver (KSL), to teach LLMs to search for essential knowledge from external knowledge bases by harnessing their own strong generalizability. Specifically, we design a simple yet effective prompt to transform retrieval into a multi-hop decision sequence, which empowers LLMs with searching knowledge ability in zero-shot manner. Additionally, KSL is able to provide complete retrieval paths and therefore increase explainability of LLMs' reasoning processes. We conduct experiments on three datasets: CommonsenseQA, OpenbookQA, and MedQA-USMLE, and found that our approach improves LLM baseline performance by a relatively large margin.

Diffusion Probabilistic Models (DPMs) have achieved considerable success in generation tasks. As sampling from DPMs is equivalent to solving diffusion SDE or ODE which is time-consuming, numerous fast sampling methods built upon improved differential equation solvers are proposed. The majority of such techniques consider solving the diffusion ODE due to its superior efficiency. However, stochastic sampling could offer additional advantages in generating diverse and high-quality data. In this work, we engage in a comprehensive analysis of stochastic sampling from two aspects: variance-controlled diffusion SDE and linear multi-step SDE solver. Based on our analysis, we propose SA-Solver, which is an improved efficient stochastic Adams method for solving diffusion SDE to generate data with high quality. Our experiments show that SA-Solver achieves: 1) improved or comparable performance compared with the existing state-of-the-art sampling methods for few-step sampling; 2) SOTA FID scores on substantial benchmark datasets under a suitable number of function evaluations (NFEs).

Diffusion probabilistic models (DPMs) have achieved impressive success in high-resolution image synthesis, especially in recent large-scale text-to-image generation applications. An essential technique for improving the sample quality of DPMs is guided sampling, which usually needs a large guidance scale to obtain the best sample quality. The commonly-used fast sampler for guided sampling is DDIM, a first-order diffusion ODE solver that generally needs 100 to 250 steps for high-quality samples. Although recent works propose dedicated high-order solvers and achieve a further speedup for sampling without guidance, their effectiveness for guided sampling has not been well-tested before. In this work, we demonstrate that previous high-order fast samplers suffer from instability issues, and they even become slower than DDIM when the guidance scale grows large. To further speed up guided sampling, we propose DPM-Solver++, a high-order solver for the guided sampling of DPMs. DPM-Solver++ solves the diffusion ODE with the data prediction model and adopts thresholding methods to keep the solution matches training data distribution. We further propose a multistep variant of DPM-Solver++ to address the instability issue by reducing the effective step size. Experiments show that DPM-Solver++ can generate high-quality samples within only 15 to 20 steps for guided sampling by pixel-space and latent-space DPMs.

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a 4sim 16times speedup compared with previous state-of-the-art training-free samplers on various datasets.

Lion (Evolved Sign Momentum), a new optimizer discovered through program search, has shown promising results in training large AI models. It performs comparably or favorably to AdamW but with greater memory efficiency. As we can expect from the results of a random search program, Lion incorporates elements from several existing algorithms, including signed momentum, decoupled weight decay, Polak, and Nesterov momentum, but does not fit into any existing category of theoretically grounded optimizers. Thus, even though Lion appears to perform well as a general-purpose optimizer for a wide range of tasks, its theoretical basis remains uncertain. This lack of theoretical clarity limits opportunities to further enhance and expand Lion's efficacy. This work aims to demystify Lion. Based on both continuous-time and discrete-time analysis, we demonstrate that Lion is a theoretically novel and principled approach for minimizing a general loss function f(x) while enforcing a bound constraint |x|_infty leq 1/lambda. Lion achieves this through the incorporation of decoupled weight decay, where lambda represents the weight decay coefficient. Our analysis is made possible by the development of a new Lyapunov function for the Lion updates. It applies to a broader family of Lion-kappa algorithms, where the sign(cdot) operator in Lion is replaced by the subgradient of a convex function kappa, leading to the solution of a general composite optimization problem of min_x f(x) + kappa^*(x). Our findings provide valuable insights into the dynamics of Lion and pave the way for further improvements and extensions of Lion-related algorithms.

Event-based cameras are ideal for line-based motion estimation, since they predominantly respond to edges in the scene. However, accurately determining the camera displacement based on events continues to be an open problem. This is because line feature extraction and dynamics estimation are tightly coupled when using event cameras, and no precise model is currently available for describing the complex structures generated by lines in the space-time volume of events. We solve this problem by deriving the correct non-linear parametrization of such manifolds, which we term eventails, and demonstrate its application to event-based linear motion estimation, with known rotation from an Inertial Measurement Unit. Using this parametrization, we introduce a novel minimal 5-point solver that jointly estimates line parameters and linear camera velocity projections, which can be fused into a single, averaged linear velocity when considering multiple lines. We demonstrate on both synthetic and real data that our solver generates more stable relative motion estimates than other methods while capturing more inliers than clustering based on spatio-temporal planes. In particular, our method consistently achieves a 100% success rate in estimating linear velocity where existing closed-form solvers only achieve between 23% and 70%. The proposed eventails contribute to a better understanding of spatio-temporal event-generated geometries and we thus believe it will become a core building block of future event-based motion estimation algorithms.

We present NeuroSAT, a message passing neural network that learns to solve SAT problems after only being trained as a classifier to predict satisfiability. Although it is not competitive with state-of-the-art SAT solvers, NeuroSAT can solve problems that are substantially larger and more difficult than it ever saw during training by simply running for more iterations. Moreover, NeuroSAT generalizes to novel distributions; after training only on random SAT problems, at test time it can solve SAT problems encoding graph coloring, clique detection, dominating set, and vertex cover problems, all on a range of distributions over small random graphs.

Crossword puzzles are one of the most popular word games, played in different languages all across the world, where riddle style can vary significantly from one country to another. Automated crossword resolution is challenging, and typical solvers rely on large databases of previously solved crosswords. In this work, we extend WebCrow 2.0, an automatic crossword solver, to French, making it the first program for crossword solving in the French language. To cope with the lack of a large repository of clue-answer crossword data, WebCrow 2.0 exploits multiple modules, called experts, that retrieve candidate answers from heterogeneous resources, such as the web, knowledge graphs, and linguistic rules. We compared WebCrow's performance against humans in two different challenges. Despite the limited amount of past crosswords, French WebCrow was competitive, actually outperforming humans in terms of speed and accuracy, thus proving its capabilities to generalize to new languages.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm -- using only the number of iterations as feedback -- can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

Runaway electron current generated during the Current Quench phase of tokamak disruptions could result in severe damage to future high performance devices. To control and mitigate such runaway electron current, it is important to accurately describe the runaway electron current dominated equilibrium, based on which further stability analysis could be carried out. In this paper, we derive a Grad-Shafranov-like equation solving for the axisymmetric drift surfaces of the runaway electrons for the simple case that all runaway electron share the same parallel momentum. This new equilibrium equation is then numerically solved with simple rectangular wall with ITER-like and MAST-like geometry parameters. The deviation between the drift surfaces and the flux surfaces is readily obtained, and runaway electrons is found to be well confined even in regions with open field lines. The change of the runaway electron parallel momentum is found to result in a horizontal current center displacement without any changes in the total current or the external field. The runaway current density profile is found to affect the susceptibility of such displacement, with flatter profiles result in more displacement by the same momentum change. With up-down asymmetry in the external poloidal field, such displacement is accompanied by a vertical displacement of runaway electron current. It is found that this effect is more pronounced in smaller, compact device and weaker poloidal field cases. The above results demonstrate the dynamics of current center displacement caused by the momentum space change in the runaway electrons, and pave way for future, more sophisticated runaway current equilibrium theory with more realistic consideration on the runaway electron momentum distribution. This new equilibrium theory also provides foundation for future stability analysis of the runaway electron current.

Numerical simulation of non-linear partial differential equations plays a crucial role in modeling physical science and engineering phenomena, such as weather, climate, and aerodynamics. Recent Machine Learning (ML) models trained on low-resolution spatio-temporal signals have shown new promises in capturing important dynamics in high-resolution signals, under the condition that the models can effectively recover the missing details. However, this study shows that significant information is often lost in the low-resolution down-sampled features. To address such issues, we propose a new approach, namely Temporal Stencil Modeling (TSM), which combines the strengths of advanced time-series sequence modeling (with the HiPPO features) and state-of-the-art neural PDE solvers (with learnable stencil modeling). TSM aims to recover the lost information from the PDE trajectories and can be regarded as a temporal generalization of classic finite volume methods such as WENO. Our experimental results show that TSM achieves the new state-of-the-art simulation accuracy for 2-D incompressible Navier-Stokes turbulent flows: it significantly outperforms the previously reported best results by 19.9% in terms of the highly-correlated duration time and reduces the inference latency into 80%. We also show a strong generalization ability of the proposed method to various out-of-distribution turbulent flow settings. Our code is available at "https://github.com/Edward-Sun/TSM-PDE".

We present TabPFN, a trained Transformer that can do supervised classification for small tabular datasets in less than a second, needs no hyperparameter tuning and is competitive with state-of-the-art classification methods. TabPFN performs in-context learning (ICL), it learns to make predictions using sequences of labeled examples (x, f(x)) given in the input, without requiring further parameter updates. TabPFN is fully entailed in the weights of our network, which accepts training and test samples as a set-valued input and yields predictions for the entire test set in a single forward pass. TabPFN is a Prior-Data Fitted Network (PFN) and is trained offline once, to approximate Bayesian inference on synthetic datasets drawn from our prior. This prior incorporates ideas from causal reasoning: It entails a large space of structural causal models with a preference for simple structures. On the 18 datasets in the OpenML-CC18 suite that contain up to 1 000 training data points, up to 100 purely numerical features without missing values, and up to 10 classes, we show that our method clearly outperforms boosted trees and performs on par with complex state-of-the-art AutoML systems with up to 230times speedup. This increases to a 5 700times speedup when using a GPU. We also validate these results on an additional 67 small numerical datasets from OpenML. We provide all our code, the trained TabPFN, an interactive browser demo and a Colab notebook at https://github.com/automl/TabPFN.

We demonstrate that a neural network pre-trained on text and fine-tuned on code solves mathematics course problems, explains solutions, and generates new questions at a human level. We automatically synthesize programs using few-shot learning and OpenAI's Codex transformer and execute them to solve course problems at 81% automatic accuracy. We curate a new dataset of questions from MIT's largest mathematics courses (Single Variable and Multivariable Calculus, Differential Equations, Introduction to Probability and Statistics, Linear Algebra, and Mathematics for Computer Science) and Columbia University's Computational Linear Algebra. We solve questions from a MATH dataset (on Prealgebra, Algebra, Counting and Probability, Intermediate Algebra, Number Theory, and Precalculus), the latest benchmark of advanced mathematics problems designed to assess mathematical reasoning. We randomly sample questions and generate solutions with multiple modalities, including numbers, equations, and plots. The latest GPT-3 language model pre-trained on text automatically solves only 18.8% of these university questions using zero-shot learning and 30.8% using few-shot learning and the most recent chain of thought prompting. In contrast, program synthesis with few-shot learning using Codex fine-tuned on code generates programs that automatically solve 81% of these questions. Our approach improves the previous state-of-the-art automatic solution accuracy on the benchmark topics from 8.8% to 81.1%. We perform a survey to evaluate the quality and difficulty of generated questions. This work is the first to automatically solve university-level mathematics course questions at a human level and the first work to explain and generate university-level mathematics course questions at scale, a milestone for higher education.

What if artificial intelligence could not only solve problems for which it was trained but also learn to teach itself to solve new problems (i.e., meta-learn)? In this study, we demonstrate that a pre-trained transformer fine-tuned with reinforcement learning over multiple episodes develops the ability to solve problems that it has never encountered before - an emergent ability called In-Context Reinforcement Learning (ICRL). This powerful meta-learner not only excels in solving unseen in-distribution environments with remarkable sample efficiency, but also shows strong performance in out-of-distribution environments. In addition, we show that it exhibits robustness to the quality of its training data, seamlessly stitches together behaviors from its context, and adapts to non-stationary environments. These behaviors demonstrate that an RL-trained transformer can iteratively improve upon its own solutions, making it an excellent general-purpose problem solver.

Poker, also known as Texas Hold'em, has always been a typical research target within imperfect information games (IIGs). IIGs have long served as a measure of artificial intelligence (AI) development. Representative prior works, such as DeepStack and Libratus heavily rely on counterfactual regret minimization (CFR) to tackle heads-up no-limit Poker. However, it is challenging for subsequent researchers to learn CFR from previous models and apply it to other real-world applications due to the expensive computational cost of CFR iterations. Additionally, CFR is difficult to apply to multi-player games due to the exponential growth of the game tree size. In this work, we introduce PokerGPT, an end-to-end solver for playing Texas Hold'em with arbitrary number of players and gaining high win rates, established on a lightweight large language model (LLM). PokerGPT only requires simple textual information of Poker games for generating decision-making advice, thus guaranteeing the convenient interaction between AI and humans. We mainly transform a set of textual records acquired from real games into prompts, and use them to fine-tune a lightweight pre-trained LLM using reinforcement learning human feedback technique. To improve fine-tuning performance, we conduct prompt engineering on raw data, including filtering useful information, selecting behaviors of players with high win rates, and further processing them into textual instruction using multiple prompt engineering techniques. Through the experiments, we demonstrate that PokerGPT outperforms previous approaches in terms of win rate, model size, training time, and response speed, indicating the great potential of LLMs in solving IIGs.

Efficiently training a multi-task neural solver for various combinatorial optimization problems (COPs) has been less studied so far. In this paper, we propose a general and efficient training paradigm based on multi-armed bandits to deliver a unified combinarotial multi-task neural solver. To this end, we resort to the theoretical loss decomposition for multiple tasks under an encoder-decoder framework, which enables more efficient training via proper bandit task-sampling algorithms through an intra-task influence matrix. Our method achieves much higher overall performance with either limited training budgets or the same training epochs, compared to standard training schedules, which can be promising for advising efficient training of other multi-task large models. Additionally, the influence matrix can provide empirical evidence of some common practices in the area of learning to optimize, which in turn supports the validity of our approach.

Recent years have witnessed the rapid progress and broad application of diffusion probabilistic models (DPMs). Sampling from DPMs can be viewed as solving an ordinary differential equation (ODE). Despite the promising performance, the generation of DPMs usually consumes much time due to the large number of function evaluations (NFE). Though recent works have accelerated the sampling to around 20 steps with high-order solvers, the sample quality with less than 10 NFE can still be improved. In this paper, we propose a unified sampling framework (USF) to study the optional strategies for solver. Under this framework, we further reveal that taking different solving strategies at different timesteps may help further decrease the truncation error, and a carefully designed solver schedule has the potential to improve the sample quality by a large margin. Therefore, we propose a new sampling framework based on the exponential integral formulation that allows free choices of solver strategy at each step and design specific decisions for the framework. Moreover, we propose S^3, a predictor-based search method that automatically optimizes the solver schedule to get a better time-quality trade-off of sampling. We demonstrate that S^3 can find outstanding solver schedules which outperform the state-of-the-art sampling methods on CIFAR-10, CelebA, ImageNet, and LSUN-Bedroom datasets. Specifically, we achieve 2.69 FID with 10 NFE and 6.86 FID with 5 NFE on CIFAR-10 dataset, outperforming the SOTA method significantly. We further apply S^3 to Stable-Diffusion model and get an acceleration ratio of 2times, showing the feasibility of sampling in very few steps without retraining the neural network.

Large language models (LLMs) such as ChatGPT and GPT-4 have made significant progress in NLP. However, their ability to memorize, represent, and leverage commonsense knowledge has been a well-known pain point for LLMs. It remains unclear that: (1) Can GPTs effectively answer commonsense questions? (2) Are GPTs knowledgeable in commonsense? (3) Are GPTs aware of the underlying commonsense knowledge for answering a specific question? (4) Can GPTs effectively leverage commonsense for answering questions? To evaluate the above commonsense problems, we conduct a series of experiments to evaluate ChatGPT's commonsense abilities, and the experimental results show that: (1) GPTs can achieve good QA accuracy in commonsense tasks, while they still struggle with certain types of knowledge. (2) ChatGPT is knowledgeable, and can accurately generate most of the commonsense knowledge using knowledge prompts. (3) Despite its knowledge, ChatGPT is an inexperienced commonsense problem solver, which cannot precisely identify the needed commonsense knowledge for answering a specific question, i.e., ChatGPT does not precisely know what commonsense knowledge is required to answer a question. The above findings raise the need to investigate better mechanisms for utilizing commonsense knowledge in LLMs, such as instruction following, better commonsense guidance, etc.

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the use of costly data and improve the generalization ability. However, these physics constraints, based on certain finite dimensional approximations over the function space, must resolve the smallest scaled physics to ensure the accuracy and stability of the simulation, resulting in high computational costs from large input, output, and neural networks. This paper proposes a general acceleration methodology called NeuralStagger by spatially and temporally decomposing the original learning tasks into several coarser-resolution subtasks. We define a coarse-resolution neural solver for each subtask, which requires fewer computational resources, and jointly train them with the vanilla physics-constrained loss by simply arranging their outputs to reconstruct the original solution. Due to the perfect parallelism between them, the solution is achieved as fast as a coarse-resolution neural solver. In addition, the trained solvers bring the flexibility of simulating with multiple levels of resolution. We demonstrate the successful application of NeuralStagger on 2D and 3D fluid dynamics simulations, which leads to an additional 10sim100times speed-up. Moreover, the experiment also shows that the learned model could be well used for optimal control.

Large-scale pretrained language models have made significant advances in solving downstream language understanding tasks. However, they generally suffer from reporting bias, the phenomenon describing the lack of explicit commonsense knowledge in written text, e.g., ''an orange is orange''. To overcome this limitation, we develop a novel approach, Z-LaVI, to endow language models with visual imagination capabilities. Specifically, we leverage two complementary types of ''imaginations'': (i) recalling existing images through retrieval and (ii) synthesizing nonexistent images via text-to-image generation. Jointly exploiting the language inputs and the imagination, a pretrained vision-language model (e.g., CLIP) eventually composes a zero-shot solution to the original language tasks. Notably, fueling language models with imagination can effectively leverage visual knowledge to solve plain language tasks. In consequence, Z-LaVI consistently improves the zero-shot performance of existing language models across a diverse set of language tasks.

Spurred by advancements in scale, large language models (LLMs) have demonstrated the ability to perform a variety of natural language processing (NLP) tasks zero-shot -- i.e., without adaptation on downstream data. Recently, the debut of ChatGPT has drawn a great deal of attention from the natural language processing (NLP) community due to the fact that it can generate high-quality responses to human input and self-correct previous mistakes based on subsequent conversations. However, it is not yet known whether ChatGPT can serve as a generalist model that can perform many NLP tasks zero-shot. In this work, we empirically analyze the zero-shot learning ability of ChatGPT by evaluating it on 20 popular NLP datasets covering 7 representative task categories. With extensive empirical studies, we demonstrate both the effectiveness and limitations of the current version of ChatGPT. We find that ChatGPT performs well on many tasks favoring reasoning capabilities (e.g., arithmetic reasoning) while it still faces challenges when solving specific tasks such as sequence tagging. We additionally provide in-depth analysis through qualitative case studies.

Magnetic Resonance Imaging can produce detailed images of the anatomy and physiology of the human body that can assist doctors in diagnosing and treating pathologies such as tumours. However, MRI suffers from very long acquisition times that make it susceptible to patient motion artifacts and limit its potential to deliver dynamic treatments. Conventional approaches such as Parallel Imaging and Compressed Sensing allow for an increase in MRI acquisition speed by reconstructing MR images from sub-sampled MRI data acquired using multiple receiver coils. Recent advancements in Deep Learning combined with Parallel Imaging and Compressed Sensing techniques have the potential to produce high-fidelity reconstructions from highly accelerated MRI data. In this work we present a novel Deep Learning-based Inverse Problem solver applied to the task of Accelerated MRI Reconstruction, called the Recurrent Variational Network (RecurrentVarNet), by exploiting the properties of Convolutional Recurrent Neural Networks and unrolled algorithms for solving Inverse Problems. The RecurrentVarNet consists of multiple recurrent blocks, each responsible for one iteration of the unrolled variational optimization scheme for solving the inverse problem of multi-coil Accelerated MRI Reconstruction. Contrary to traditional approaches, the optimization steps are performed in the observation domain (k-space) instead of the image domain. Each block of the RecurrentVarNet refines the observed k-space and comprises a data consistency term and a recurrent unit which takes as input a learned hidden state and the prediction of the previous block. Our proposed method achieves new state of the art qualitative and quantitative reconstruction results on 5-fold and 10-fold accelerated data from a public multi-coil brain dataset, outperforming previous conventional and deep learning-based approaches.

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various examples including bio-inspired hierarchical honeycomb design, carbon nanotube mechanics, and protein unfolding. In spite of the flexible nature of the model-which allows us to easily incorporate diverse materials, scales, and mechanical features-it performs well across disparate forward and inverse tasks. Based on an autoregressive attention-model, MeLM effectively represents a large multi-particle system consisting of hundreds of millions of neurons, where the interaction potentials are discovered through graph-forming self-attention mechanisms that are then used to identify relationships from emergent structures, while taking advantage of synergies discovered in the training data. We show that the model can solve complex degenerate mechanics design problems and determine novel material architectures across a range of hierarchical levels, providing an avenue for materials discovery and analysis. Looking beyond the demonstrations reported in this paper, we discuss other opportunities in applied mechanics and general considerations about the use of large language models in modeling, design, and analysis that can span a broad spectrum of material properties from mechanical, thermal, optical, to electronic.

In this paper we present a Java-to-Python (J2P) and Python-to-Java (P2J) back-to-back code translation method, and associated tool called CoTran, based on large language models (LLMs). Our method leverages the attention mechanism of LLMs, compilation, and symbolic execution-based test generation for equivalence testing between the input and output programs. More precisely, we modify the typical LLM training loop to incorporate compiler and symbolic execution loss. Via extensive experiments comparing CoTran with 10 other transpilers and LLM-based translation tools over a benchmark of more than 57,000 Java-Python equivalent pairs, we show that CoTran outperforms them on relevant metrics such as compilation and runtime equivalence accuracy. For example, our tool gets 97.43% compilation accuracy and 49.66% runtime equivalence accuracy for J2P translation, whereas the nearest competing tool only gets 96.44% and 6.8% respectively.

This paper presents a continuous-time optimal control framework for the generation of reference trajectories in driving scenarios with uncertainty. A previous work presented a discrete-time stochastic generator for autonomous vehicles; those results are extended to continuous time to ensure the robustness of the generator in a real-time setting. We show that the stochastic model in continuous time can capture the uncertainty of information by producing better results, limiting the risk of violating the problem's constraints compared to a discrete approach. Dynamic solvers provide faster computation and the continuous-time model is more robust to a wider variety of driving scenarios than the discrete-time model, as it can handle further time horizons, which allows trajectory planning outside the framework of urban driving scenarios.