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Digital quantum simulation has broad applications in approximating unitary evolution of Hamiltonians. In practice, many simulation tasks for quantum systems focus on quantum states in the low-energy subspace instead of the entire Hilbert space. In this paper, we systematically investigate the complexity of digital quantum simulation based on product formulas in the low-energy subspace. We show that the simulation error depends on the effective low-energy norm of the Hamiltonian for a variety of digital quantum simulation algorithms and quantum systems, allowing improvements over the previous complexities for full unitary simulations even for imperfect state preparations {due to thermalization}. In particular, for simulating spin models in the low-energy subspace, we prove that randomized product formulas such as qDRIFT and random permutation require smaller Trotter numbers. Such improvement also persists in symmetry-protected digital quantum simulations. We prove a similar improvement in simulating the dynamics of power-law quantum interactions. We also provide a query lower bound for general digital quantum simulations in the low-energy subspace.

Many parallel and distributed computing research results are obtained in simulation, using simulators that mimic real-world executions on some target system. Each such simulator is configured by picking values for parameters that define the behavior of the underlying simulation models it implements. The main concern for a simulator is accuracy: simulated behaviors should be as close as possible to those observed in the real-world target system. This requires that values for each of the simulator's parameters be carefully picked, or "calibrated," based on ground-truth real-world executions. Examining the current state of the art shows that simulator calibration, at least in the field of parallel and distributed computing, is often undocumented (and thus perhaps often not performed) and, when documented, is described as a labor-intensive, manual process. In this work we evaluate the benefit of automating simulation calibration using simple algorithms. Specifically, we use a real-world case study from the field of High Energy Physics and compare automated calibration to calibration performed by a domain scientist. Our main finding is that automated calibration is on par with or significantly outperforms the calibration performed by the domain scientist. Furthermore, automated calibration makes it straightforward to operate desirable trade-offs between simulation accuracy and simulation speed.

AI regulations are expected to prohibit machine learning models from using sensitive attributes during training. However, the latest Natural Language Processing (NLP) classifiers, which rely on deep learning, operate as black-box systems, complicating the detection and remediation of such misuse. Traditional bias mitigation methods in NLP aim for comparable performance across different groups based on attributes like gender or race but fail to address the underlying issue of reliance on protected attributes. To partly fix that, we introduce NLPGuard, a framework for mitigating the reliance on protected attributes in NLP classifiers. NLPGuard takes an unlabeled dataset, an existing NLP classifier, and its training data as input, producing a modified training dataset that significantly reduces dependence on protected attributes without compromising accuracy. NLPGuard is applied to three classification tasks: identifying toxic language, sentiment analysis, and occupation classification. Our evaluation shows that current NLP classifiers heavily depend on protected attributes, with up to $23\%$ of the most predictive words associated with these attributes. However, NLPGuard effectively reduces this reliance by up to $79\%$, while slightly improving accuracy.

Longitudinal or panel data can be represented as a matrix with rows indexed by units and columns indexed by time. We consider inferential questions associated with the missing data version of panel data induced by staggered adoption. We propose a computationally efficient procedure for estimation, involving only simple matrix algebra and singular value decomposition, and prove non-asymptotic and high-probability bounds on its error in estimating each missing entry. By controlling proximity to a suitably scaled Gaussian variable, we develop and analyze a data-driven procedure for constructing entrywise confidence intervals with pre-specified coverage. Despite its simplicity, our procedure turns out to be instance-optimal: we prove that the width of our confidence intervals match a non-asymptotic instance-wise lower bound derived via a Bayesian Cram\'{e}r-Rao argument. We illustrate the sharpness of our theoretical characterization on a variety of numerical examples. Our analysis is based on a general inferential toolbox for SVD-based algorithm applied to the matrix denoising model, which might be of independent interest.

The sample efficiency of Bayesian optimization algorithms depends on carefully crafted acquisition functions (AFs) guiding the sequential collection of function evaluations. The best-performing AF can vary significantly across optimization problems, often requiring ad-hoc and problem-specific choices. This work tackles the challenge of designing novel AFs that perform well across a variety of experimental settings. Based on FunSearch, a recent work using Large Language Models (LLMs) for discovery in mathematical sciences, we propose FunBO, an LLM-based method that can be used to learn new AFs written in computer code by leveraging access to a limited number of evaluations for a set of objective functions. We provide the analytic expression of all discovered AFs and evaluate them on various global optimization benchmarks and hyperparameter optimization tasks. We show how FunBO identifies AFs that generalize well in and out of the training distribution of functions, thus outperforming established general-purpose AFs and achieving competitive performance against AFs that are customized to specific function types and are learned via transfer-learning algorithms.

The problem of computing vertex and edge connectivity of a graph are classical problems in algorithmic graph theory. The focus of this paper is on computing these parameters on embedded graphs. A typical example of an embedded graph is a planar graph which can be drawn with no edge crossings. It has long been known that vertex and edge connectivity of planar embedded graphs can be computed in linear time. Very recently, Biedl and Murali extended the techniques from planar graphs to 1-plane graphs without $\times$-crossings, i.e., crossings whose endpoints induce a matching. While the tools used were novel, they were highly tailored to 1-plane graphs, and do not provide much leeway for further extension. In this paper, we develop alternate techniques that are simpler, have wider applications to near-planar graphs, and can be used to test both vertex and edge connectivity. Our technique works for all those embedded graphs where any pair of crossing edges are connected by a path that, roughly speaking, can be covered with few cells of the drawing. Important examples of such graphs include optimal 2-planar and optimal 3-planar graphs, $d$-map graphs, $d$-framed graphs, graphs with bounded crossing number, and $k$-plane graphs with bounded number of $\times$-crossings.

We explore multi-step reasoning in vision-language models (VLMs). The problem is challenging, as reasoning data consisting of multiple steps of visual and language processing are barely available. To overcome the challenge, we first introduce a least-to-most visual reasoning paradigm, which interleaves steps of decomposing a question into sub-questions and invoking external tools for resolving sub-questions. Based on the paradigm, we further propose a novel data synthesis approach that can automatically create questions and multi-step reasoning paths for an image in a bottom-up manner. Our approach divides the complex synthesis task into a few simple sub-tasks, and (almost entirely) relies on open-sourced models to accomplish the sub-tasks. Therefore, the entire synthesis process is reproducible and cost-efficient, and the synthesized data is quality guaranteed. With the approach, we construct $50$k visual reasoning examples. Then, we develop a visual reasoner through supervised fine-tuning, which is capable of generally enhancing the reasoning abilities of a wide range of existing VLMs in a plug-and-play fashion. Extensive experiments indicate that the visual reasoner can consistently and significantly improve four VLMs on four VQA benchmarks. Our code and dataset are available at //github.com/steven-ccq/VisualReasoner.

3D multi-object tracking and trajectory prediction are two crucial modules in autonomous driving systems. Generally, the two tasks are handled separately in traditional paradigms and a few methods have started to explore modeling these two tasks in a joint manner recently. However, these approaches suffer from the limitations of single-frame training and inconsistent coordinate representations between tracking and prediction tasks. In this paper, we propose a streaming and unified framework for joint 3D Multi-Object Tracking and trajectory Prediction (StreamMOTP) to address the above challenges. Firstly, we construct the model in a streaming manner and exploit a memory bank to preserve and leverage the long-term latent features for tracked objects more effectively. Secondly, a relative spatio-temporal positional encoding strategy is introduced to bridge the gap of coordinate representations between the two tasks and maintain the pose-invariance for trajectory prediction. Thirdly, we further improve the quality and consistency of predicted trajectories with a dual-stream predictor. We conduct extensive experiments on popular nuSences dataset and the experimental results demonstrate the effectiveness and superiority of StreamMOTP, which outperforms previous methods significantly on both tasks. Furthermore, we also prove that the proposed framework has great potential and advantages in actual applications of autonomous driving.

An effective exact method is proposed for computing generalized eigenspaces of a matrix of integers or rational numbers. Keys of our approach are the use of minimal annihilating polynomials and the concept of the Jourdan-Krylov basis. A new method, called Jordan-Krylov elimination, is introduced to design an algorithm for computing Jordan-Krylov basis. The resulting algorithm outputs generalized eigenspaces as a form of Jordan chains. Notably, in the output, components of generalized eigenvectors are expressed as polynomials in the associated eigenvalue as a variable.

Graph Neural Networks (GNNs) have been studied from the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs' training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.