High-fidelity simulators that connect theoretical models with observations are indispensable tools in many sciences. When coupled with machine learning, a simulator makes it possible to infer the parameters of a theoretical model directly from real and simulated observations without explicit use of the likelihood function. This is of particular interest when the latter is intractable. We introduce a simple modification of the recently proposed likelihood-free frequentist inference (LF2I) approach that has some computational advantages. The utility of our algorithm is illustrated by applying it to three pedagogically interesting examples: the first is from cosmology, the second from high-energy physics and astronomy, both with tractable likelihoods, while the third, with an intractable likelihood, is from epidemiology.
相關內容
We propose MM-Vet, an evaluation benchmark that examines large multimodal models (LMMs) on complicated multimodal tasks. Recent LMMs have shown various intriguing abilities, such as solving math problems written on the blackboard, reasoning about events and celebrities in news images, and explaining visual jokes. Rapid model advancements pose challenges to evaluation benchmark development. Problems include: (1) How to systematically structure and evaluate the complicated multimodal tasks; (2) How to design evaluation metrics that work well across question and answer types; and (3) How to give model insights beyond a simple performance ranking. To this end, we present MM-Vet, designed based on the insight that the intriguing ability to solve complicated tasks is often achieved by a generalist model being able to integrate different core vision-language (VL) capabilities. MM-Vet defines 6 core VL capabilities and examines the 16 integrations of interest derived from the capability combination. For evaluation metrics, we propose an LLM-based evaluator for open-ended outputs. The evaluator enables the evaluation across different question types and answer styles, resulting in a unified scoring metric. We evaluate representative LMMs on MM-Vet, providing insights into the capabilities of different LMM system paradigms and models. Code and data are available at //github.com/yuweihao/MM-Vet.
Efficient differential equation solvers have significantly reduced the sampling time of diffusion models (DMs) while retaining high sampling quality. Among these solvers, exponential integrators (EI) have gained prominence by demonstrating state-of-the-art performance. However, existing high-order EI-based sampling algorithms rely on degenerate EI solvers, resulting in inferior error bounds and reduced accuracy in contrast to the theoretically anticipated results under optimal settings. This situation makes the sampling quality extremely vulnerable to seemingly innocuous design choices such as timestep schedules. For example, an inefficient timestep scheduler might necessitate twice the number of steps to achieve a quality comparable to that obtained through carefully optimized timesteps. To address this issue, we reevaluate the design of high-order differential solvers for DMs. Through a thorough order analysis, we reveal that the degeneration of existing high-order EI solvers can be attributed to the absence of essential order conditions. By reformulating the differential equations in DMs and capitalizing on the theory of exponential integrators, we propose refined EI solvers that fulfill all the order conditions, which we designate as Refined Exponential Solver (RES). Utilizing these improved solvers, RES exhibits more favorable error bounds theoretically and achieves superior sampling efficiency and stability in practical applications. For instance, a simple switch from the single-step DPM-Solver++ to our order-satisfied RES solver when Number of Function Evaluations (NFE) $=9$, results in a reduction of numerical defects by $25.2\%$ and FID improvement of $25.4\%$ (16.77 vs 12.51) on a pre-trained ImageNet diffusion model.
We propose a quantum sample-to-query lifting theorem. It reveals a quadratic relation between quantum sample and query complexities regarding quantum property testing, which is optimal and saturated by quantum state discrimination. Based on it, we provide a new method for proving lower bounds on quantum query algorithms from an information theory perspective. Using this method, we prove the following new results: 1. A matching lower bound $\widetilde \Omega(\beta)$ for quantum Gibbs sampling at inverse temperature $\beta$, showing that the quantum Gibbs sampler by Gily\'en, Su, Low, and Wiebe (2019) is optimal. 2. A new lower bound $\widetilde \Omega(1/\sqrt{\Delta})$ for the entanglement entropy problem with gap $\Delta$, which was recently studied by She and Yuen (2023). In addition, we also provide unified proofs for some known lower bounds that have been proven previously via different techniques, including those for phase/amplitude estimation and Hamiltonian simulation.
Predictive variability due to data ambiguities has typically been addressed via construction of dedicated models with built-in probabilistic capabilities that are trained to predict uncertainty estimates as variables of interest. These approaches require distinct architectural components and training mechanisms, may include restrictive assumptions and exhibit overconfidence, i.e., high confidence in imprecise predictions. In this work, we propose a post-hoc sampling strategy for estimating predictive uncertainty accounting for data ambiguity. The method can generate different plausible outputs for a given input and does not assume parametric forms of predictive distributions. It is architecture agnostic and can be applied to any feed-forward deterministic network without changes to the architecture or training procedure. Experiments on regression tasks on imaging and non-imaging input data show the method's ability to generate diverse and multi-modal predictive distributions, and a desirable correlation of the estimated uncertainty with the prediction error.
Unsupervised multiplex graph learning (UMGL) has been shown to achieve significant effectiveness for different downstream tasks by exploring both complementary information and consistent information among multiple graphs. However, previous methods usually overlook the issues in practical applications, i.e., the out-of-sample issue and the noise issue. To address the above issues, in this paper, we propose an effective and efficient UMGL method to explore both complementary and consistent information. To do this, our method employs multiple MLP encoders rather than graph convolutional network (GCN) to conduct representation learning with two constraints, i.e., preserving the local graph structure among nodes to handle the out-of-sample issue, and maximizing the correlation of multiple node representations to handle the noise issue. Comprehensive experiments demonstrate that our proposed method achieves superior effectiveness and efficiency over the comparison methods and effectively tackles those two issues. Code is available at //github.com/LarryUESTC/CoCoMG.
The Ising model is defined by an objective function using a quadratic formula of qubit variables. The problem of an Ising model aims to determine the qubit values of the variables that minimize the objective function, and many optimization problems can be reduced to this problem. In this paper, we focus on optimization problems related to permutations, where the goal is to find the optimal permutation out of the $n!$ possible permutations of $n$ elements. To represent these problems as Ising models, a commonly employed approach is to use a kernel that utilizes one-hot encoding to find any one of the $n!$ permutations as the optimal solution. However, this kernel contains a large number of quadratic terms and high absolute coefficient values. The main contribution of this paper is the introduction of a novel permutation encoding technique called dual-matrix domain-wall, which significantly reduces the number of quadratic terms and the maximum absolute coefficient values in the kernel. Surprisingly, our dual-matrix domain-wall encoding reduces the quadratic term count and maximum absolute coefficient values from $n^3-n^2$ and $2n-4$ to $6n^2-12n+4$ and $2$, respectively. We also demonstrate the applicability of our encoding technique to partial permutations and Quadratic Unconstrained Binary Optimization (QUBO) models. Furthermore, we discuss a family of permutation problems that can be efficiently implemented using Ising/QUBO models with our dual-matrix domain-wall encoding.
Contrastive loss has been increasingly used in learning representations from multiple modalities. In the limit, the nature of the contrastive loss encourages modalities to exactly match each other in the latent space. Yet it remains an open question how the modality alignment affects the downstream task performance. In this paper, based on an information-theoretic argument, we first prove that exact modality alignment is sub-optimal in general for downstream prediction tasks. Hence we advocate that the key of better performance lies in meaningful latent modality structures instead of perfect modality alignment. To this end, we propose three general approaches to construct latent modality structures. Specifically, we design 1) a deep feature separation loss for intra-modality regularization; 2) a Brownian-bridge loss for inter-modality regularization; and 3) a geometric consistency loss for both intra- and inter-modality regularization. Extensive experiments are conducted on two popular multi-modal representation learning frameworks: the CLIP-based two-tower model and the ALBEF-based fusion model. We test our model on a variety of tasks including zero/few-shot image classification, image-text retrieval, visual question answering, visual reasoning, and visual entailment. Our method achieves consistent improvements over existing methods, demonstrating the effectiveness and generalizability of our proposed approach on latent modality structure regularization.
Deep learning has shown great potential for modeling the physical dynamics of complex particle systems such as fluids (in Lagrangian descriptions). Existing approaches, however, require the supervision of consecutive particle properties, including positions and velocities. In this paper, we consider a partially observable scenario known as fluid dynamics grounding, that is, inferring the state transitions and interactions within the fluid particle systems from sequential visual observations of the fluid surface. We propose a differentiable two-stage network named NeuroFluid. Our approach consists of (i) a particle-driven neural renderer, which involves fluid physical properties into the volume rendering function, and (ii) a particle transition model optimized to reduce the differences between the rendered and the observed images. NeuroFluid provides the first solution to unsupervised learning of particle-based fluid dynamics by training these two models jointly. It is shown to reasonably estimate the underlying physics of fluids with different initial shapes, viscosity, and densities. It is a potential alternative approach to understanding complex fluid mechanics, such as turbulence, that are difficult to model using traditional methods of mathematical physics.
Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.
While existing machine learning models have achieved great success for sentiment classification, they typically do not explicitly capture sentiment-oriented word interaction, which can lead to poor results for fine-grained analysis at the snippet level (a phrase or sentence). Factorization Machine provides a possible approach to learning element-wise interaction for recommender systems, but they are not directly applicable to our task due to the inability to model contexts and word sequences. In this work, we develop two Position-aware Factorization Machines which consider word interaction, context and position information. Such information is jointly encoded in a set of sentiment-oriented word interaction vectors. Compared to traditional word embeddings, SWI vectors explicitly capture sentiment-oriented word interaction and simplify the parameter learning. Experimental results show that while they have comparable performance with state-of-the-art methods for document-level classification, they benefit the snippet/sentence-level sentiment analysis.
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191