Motivation: The Mapper algorithm is an essential tool to explore shape of data in topology data analysis. With a dataset as an input, the Mapper algorithm outputs a graph representing the topological features of the whole dataset. This graph is often regarded as an approximation of a reeb graph of data. The classic Mapper algorithm uses fixed interval lengths and overlapping ratios, which might fail to reveal subtle features of data, especially when the underlying structure is complex. Results: In this work, we introduce a distribution guided Mapper algorithm named D-Mapper, that utilizes the property of the probability model and data intrinsic characteristics to generate density guided covers and provides enhanced topological features. Our proposed algorithm is a probabilistic model-based approach, which could serve as an alternative to non-prababilistic ones. Moreover, we introduce a metric accounting for both the quality of overlap clustering and extended persistence homology to measure the performance of Mapper type algorithm. Our numerical experiments indicate that the D-Mapper outperforms the classical Mapper algorithm in various scenarios. We also apply the D-Mapper to a SARS-COV-2 coronavirus RNA sequences dataset to explore the topological structure of different virus variants. The results indicate that the D-Mapper algorithm can reveal both vertical and horizontal evolution processes of the viruses. Availability: Our package is available at https://github.com/ShufeiGe/D-Mapper.

This paper focuses on the construction of non-intrusive Scientific Machine Learning (SciML) Reduced-Order Models (ROMs) for nonlinear, chaotic plasma turbulence simulations. In particular, we propose using Operator Inference (OpInf) to build low-cost physics-based ROMs from data for such simulations. As a representative example, we focus on the Hasegawa-Wakatani (HW) equations used for modeling two-dimensional electrostatic drift-wave plasma turbulence. For a comprehensive perspective of the potential of OpInf to construct accurate ROMs for this model, we consider a setup for the HW equations that leads to the formation of complex, nonlinear, and self-driven dynamics, and perform two sets of experiments. We first use the data obtained via a direct numerical simulation of the HW equations starting from a specific initial condition and train OpInf ROMs for predictions beyond the training time horizon. In the second, more challenging set of experiments, we train ROMs using the same dataset as before but this time perform predictions for six other initial conditions. Our results show that the OpInf ROMs capture the important features of the turbulent dynamics and generalize to new and unseen initial conditions while reducing the evaluation time of the high-fidelity model by up to five orders of magnitude in single-core performance. In the broader context of fusion research, this shows that non-intrusive SciML ROMs have the potential to drastically accelerate numerical studies, which can ultimately enable tasks such as the design and real-time control of optimized fusion devices.

One of the most important challenges in text generation systems is to produce outputs that are not only correct but also diverse. Recently, Minimum Bayes-Risk (MBR) decoding has gained prominence for generating sentences of the highest quality among the decoding algorithms. However, existing algorithms proposed for generating diverse outputs are predominantly based on beam search or random sampling, thus their output quality is capped by these underlying methods. In this paper, we investigate an alternative approach -- we develop diversity-promoting decoding algorithms by enforcing diversity objectives to MBR decoding. We propose two variants of MBR, Diverse MBR (DMBR) and $k$-medoids MBR (KMBR), methods to generate a set of sentences with high quality and diversity. We evaluate DMBR and KMBR on a variety of directed text generation tasks using encoder-decoder models and a large language model with prompting. The experimental results show that the proposed method achieves a better trade-off than the diverse beam search and sampling algorithms.

Scientific machine learning for inferring dynamical systems combines data-driven modeling, physics-based modeling, and empirical knowledge. It plays an essential role in engineering design and digital twinning. In this work, we primarily focus on an operator inference methodology that builds dynamical models, preferably in low-dimension, with a prior hypothesis on the model structure, often determined by known physics or given by experts. Then, for inference, we aim to learn the operators of a model by setting up an appropriate optimization problem. One of the critical properties of dynamical systems is stability. However, this property is not guaranteed by the inferred models. In this work, we propose inference formulations to learn quadratic models, which are stable by design. Precisely, we discuss the parameterization of quadratic systems that are locally and globally stable. Moreover, for quadratic systems with no stable point yet bounded (e.g., chaotic Lorenz model), we discuss how to parameterize such bounded behaviors in the learning process. Using those parameterizations, we set up inference problems, which are then solved using a gradient-based optimization method. Furthermore, to avoid numerical derivatives and still learn continuous systems, we make use of an integral form of differential equations. We present several numerical examples, illustrating the preservation of stability and discussing its comparison with the existing state-of-the-art approach to infer operators. By means of numerical examples, we also demonstrate how the proposed methods are employed to discover governing equations and energy-preserving models.

Defeasibility in causal reasoning implies that the causal relationship between cause and effect can be strengthened or weakened. Namely, the causal strength between cause and effect should increase or decrease with the incorporation of strengthening arguments (supporters) or weakening arguments (defeaters), respectively. However, existing works ignore defeasibility in causal reasoning and fail to evaluate existing causal strength metrics in defeasible settings. In this work, we present {\delta}-CAUSAL, the first benchmark dataset for studying defeasibility in causal reasoning. {\delta}-CAUSAL includes around 11K events spanning ten domains, featuring defeasible causality pairs, i.e., cause-effect pairs accompanied by supporters and defeaters. We further show current causal strength metrics fail to reflect the change of causal strength with the incorporation of supporters or defeaters in {\delta}-CAUSAL. To this end, we propose CESAR (Causal Embedding aSsociation with Attention Rating), a metric that measures causal strength based on token-level causal relationships. CESAR achieves a significant 69.7% relative improvement over existing metrics, increasing from 47.2% to 80.1% in capturing the causal strength change brought by supporters and defeaters. We further demonstrate even Large Language Models (LLMs) like GPT-3.5 still lag 4.5 and 10.7 points behind humans in generating supporters and defeaters, emphasizing the challenge posed by {\delta}-CAUSAL.

Scientific discovery and engineering design are currently limited by the time and cost of physical experiments, selected mostly through trial-and-error and intuition that require deep domain expertise. Numerical simulations present an alternative to physical experiments but are usually infeasible for complex real-world domains due to the computational requirements of existing numerical methods. Artificial intelligence (AI) presents a potential paradigm shift by developing fast data-driven surrogate models. In particular, an AI framework, known as Neural Operators, presents a principled framework for learning mappings between functions defined on continuous domains, e.g., spatiotemporal processes and partial differential equations (PDE). They can extrapolate and predict solutions at new locations unseen during training, i.e., perform zero-shot super-resolution. Neural Operators can augment or even replace existing simulators in many applications, such as computational fluid dynamics, weather forecasting, and material modeling, while being 4-5 orders of magnitude faster. Further, Neural Operators can be integrated with physics and other domain constraints enforced at finer resolutions to obtain high-fidelity solutions and good generalization. Since Neural Operators are differentiable, they can directly optimize parameters for inverse design and other inverse problems. We believe that Neural Operators present a transformative approach to simulation and design, enabling rapid research and development.

E-commerce platforms usually present an ordered list, mixed with several organic items and an advertisement, in response to each user's page view request. This list, the outcome of ad auction and allocation processes, directly impacts the platform's ad revenue and gross merchandise volume (GMV). Specifically, the ad auction determines which ad is displayed and the corresponding payment, while the ad allocation decides the display positions of the advertisement and organic items. The prevalent methods of segregating the ad auction and allocation into two distinct stages face two problems: 1) Ad auction does not consider externalities, such as the influence of actual display position and context on ad Click-Through Rate (CTR); 2) The ad allocation, which utilizes the auction-winning ad's payment to determine the display position dynamically, fails to maintain incentive compatibility (IC) for the advertisement. For instance, in the auction stage employing the traditional Generalized Second Price (GSP) , even if the winning ad increases its bid, its payment remains unchanged. This implies that the advertisement cannot secure a better position and thus loses the opportunity to achieve higher utility in the subsequent ad allocation stage. Previous research often focused on one of the two stages, neglecting the two-stage problem, which may result in suboptimal outcomes...

Generating animation of physics-based characters with intuitive control has long been a desirable task with numerous applications. However, generating physically simulated animations that reflect high-level human instructions remains a difficult problem due to the complexity of physical environments and the richness of human language. In this paper, we present InsActor, a principled generative framework that leverages recent advancements in diffusion-based human motion models to produce instruction-driven animations of physics-based characters. Our framework empowers InsActor to capture complex relationships between high-level human instructions and character motions by employing diffusion policies for flexibly conditioned motion planning. To overcome invalid states and infeasible state transitions in planned motions, InsActor discovers low-level skills and maps plans to latent skill sequences in a compact latent space. Extensive experiments demonstrate that InsActor achieves state-of-the-art results on various tasks, including instruction-driven motion generation and instruction-driven waypoint heading. Notably, the ability of InsActor to generate physically simulated animations using high-level human instructions makes it a valuable tool, particularly in executing long-horizon tasks with a rich set of instructions.

We study worst-case VCG redistribution mechanism design for the public project problem. We use a multilayer perceptron (MLP) with ReLU activation to model the payment function and use mixed integer programming (MIP) to solve for the worst-case type profiles that maximally violate the mechanism design constraints. We collect these worst-case type profiles and use them as training samples to train toward better worst-case mechanisms. In practice, we require a tiny network structure for the above approach to scale. The Lottery Ticket Hypothesis states that a large network is likely to contain a "winning ticket" -- a much smaller subnetwork that "won the initialization lottery", which makes its training particularly effective. Motivated by this hypothesis, we train a large network and prune it into a tiny subnetwork. We run MIP-based worst-case training on the drawn subnetwork and evaluate the resulting mechanism's worst-case performance. If the subnetwork does not achieve good worst-case performance, then we record the type profiles that cause the current draw to be bad. To draw again, we restore the large network to its initial weights and prune using recorded type profiles from earlier draws, therefore avoiding drawing the same ticket twice. We expect to eventually encounter a tiny subnetwork that leads to effective training for our worst-case mechanism design task. Lastly, a by-product of multiple ticket draws is an ensemble of mechanisms with different worst cases, which improves the worst-case performance further. Using our approach, we find previously unknown optimal mechanisms for up to 5 agents. Our results confirm the tightness of existing theoretical upper bounds. For up to 20 agents, we derive significantly improved worst-case mechanisms, surpassing a long list of existing manual results.

Machine learning has had an enormous impact in many scientific disciplines. Also in the field of low-temperature plasma modeling and simulation it has attracted significant interest within the past years. Whereas its application should be carefully assessed in general, many aspects of plasma modeling and simulation have benefited substantially from recent developments within the field of machine learning and data-driven modeling. In this survey, we approach two main objectives: (a) We review the state-of-the-art focusing on approaches to low-temperature plasma modeling and simulation. By dividing our survey into plasma physics, plasma chemistry, plasma-surface interactions, and plasma process control, we aim to extensively discuss relevant examples from literature. (b) We provide a perspective of potential advances to plasma science and technology. We specifically elaborate on advances possibly enabled by adaptation from other scientific disciplines. We argue that not only the known unknowns, but also unknown unknowns may be discovered due to the inherent propensity of data-driven methods to spotlight hidden patterns in data.