It is a growing direction to utilize unintended memorization in ML models to benefit real-world applications, with recent efforts like user auditing, dataset ownership inference and forgotten data measurement. Standing on the point of ML model development, we introduce a process named data origin inference, to assist ML developers in locating missed or faulty data origin in training set without maintaining strenuous metadata. We formally define the data origin and the data origin inference task in the development of the ML model (mainly neural networks). Then we propose a novel inference strategy combining embedded-space multiple instance classification and shadow training. Diverse use cases cover language, visual and structured data, with various kinds of data origin (e.g. business, county, movie, mobile user, text author). A comprehensive performance analysis of our proposed strategy contains referenced target model layers, available testing data for each origin, and in shadow training, the implementations of feature extraction as well as shadow models. Our best inference accuracy achieves 98.96% in the language use case when the target model is a transformer-based deep neural network. Furthermore, we give a statistical analysis of different kinds of data origin to investigate what kind of origin is probably to be inferred correctly.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

Agent-Based Models are very useful for simulation of physical or social processes, such as the spreading of a pandemic in a city. Such models proceed by specifying the behavior of individuals (agents) and their interactions, and parameterizing the process of infection based on such interactions based on the geography and demography of the city. However, such models are computationally very expensive, and the complexity is often linear in the total number of agents. This seriously limits the usage of such models for simulations, which often have to be run hundreds of times for policy planning and even model parameter estimation. An alternative is to develop an emulator, a surrogate model that can predict the Agent-Based Simulator's output based on its initial conditions and parameters. In this paper, we discuss a Deep Learning model based on Dilated Convolutional Neural Network that can emulate such an agent based model with high accuracy. We show that use of this model instead of the original Agent-Based Model provides us major gains in the speed of simulations, allowing much quicker calibration to observations, and more extensive scenario analysis. The models we consider are spatially explicit, as the locations of the infected individuals are simulated instead of the gross counts. Another aspect of our emulation framework is its divide-and-conquer approach that divides the city into several small overlapping blocks and carries out the emulation in them parallelly, after which these results are merged together. This ensures that the same emulator can work for a city of any size, and also provides significant improvement of time complexity of the emulator, compared to the original simulator.

Online resource allocation is a prominent paradigm for sequential decision making during a finite horizon subject to the resource constraints, increasingly attracting the wide attention of researchers and practitioners in theoretical computer science (Mehta et al., 2007; Devanur and Jain, 2012; Devanur et al., 2019), operations research (Agrawal et al., 2014; Li and Ye, 2021) and machine learning communities (Balseiro et al., 2020; Li et al., 2020). In these settings, the requests arrive online and we need to serve each request via one of the available channels, which consumes a certain amount of resources and generates a corresponding service charge. The objective of the decision maker is to maximize the cumulative revenue subject to the resource capacity constraints. Such problem frequently appears in many applications including online advertising (Mehta et al., 2007; Buchbinder et al., 2007), online combinatorial auctions (Chawla et al., 2010), online linear programming(Agrawal et al., 2014; Buchbinder and Naor, 2009), online routing(Buchbinder and Naor, 2006), online multi-leg flight seats and hotel rooms allocation (Talluri et al., 2004), etc. The aforementioned online resource allocation framework only considers the capacity (upper bound) constraints for resources.

Transformers have achieved great success in several domains, including Natural Language Processing and Computer Vision. However, its application to real-world graphs is less explored, mainly due to its high computation cost and its poor generalizability caused by the lack of enough training data in the graph domain. To fill in this gap, we propose a scalable Transformer-like dynamic graph learning method named Dynamic Graph Transformer (DyFormer) with spatial-temporal encoding to effectively learn graph topology and capture implicit links. To achieve efficient and scalable training, we propose temporal-union graph structure and its associated subgraph-based node sampling strategy. To improve the generalization ability, we introduce two complementary self-supervised pre-training tasks and show that jointly optimizing the two pre-training tasks results in a smaller Bayesian error rate via an information-theoretic analysis. Extensive experiments on the real-world datasets illustrate that DyFormer achieves a consistent 1%-3% AUC gain (averaged over all time steps) compared with baselines on all benchmarks.

Recurrent neural networks (RNNs) are widely used throughout neuroscience as models of local neural activity. Many properties of single RNNs are well characterized theoretically, but experimental neuroscience has moved in the direction of studying multiple interacting areas, and RNN theory needs to be likewise extended. We take a constructive approach towards this problem, leveraging tools from nonlinear control theory and machine learning to characterize when combinations of stable RNNs will themselves be stable. Importantly, we derive conditions which allow for massive feedback connections between interacting RNNs. We parameterize these conditions for easy optimization using gradient-based techniques, and show that stability-constrained "networks of networks" can perform well on challenging sequential-processing benchmark tasks. Altogether, our results provide a principled approach towards understanding distributed, modular function in the brain.

Most existing methods to detect backdoored machine learning (ML) models take one of the two approaches: trigger inversion (aka. reverse engineer) and weight analysis (aka. model diagnosis). In particular, the gradient-based trigger inversion is considered to be among the most effective backdoor detection techniques, as evidenced by the TrojAI competition, Trojan Detection Challenge and backdoorBench. However, little has been done to understand why this technique works so well and, more importantly, whether it raises the bar to the backdoor attack. In this paper, we report the first attempt to answer this question by analyzing the change rate of the backdoored model around its trigger-carrying inputs. Our study shows that existing attacks tend to inject the backdoor characterized by a low change rate around trigger-carrying inputs, which are easy to capture by gradient-based trigger inversion. In the meantime, we found that the low change rate is not necessary for a backdoor attack to succeed: we design a new attack enhancement called \textit{Gradient Shaping} (GRASP), which follows the opposite direction of adversarial training to reduce the change rate of a backdoored model with regard to the trigger, without undermining its backdoor effect. Also, we provide a theoretic analysis to explain the effectiveness of this new technique and the fundamental weakness of gradient-based trigger inversion. Finally, we perform both theoretical and experimental analysis, showing that the GRASP enhancement does not reduce the effectiveness of the stealthy attacks against the backdoor detection methods based on weight analysis, as well as other backdoor mitigation methods without using detection.

Contrastive deep graph clustering, which aims to divide nodes into disjoint groups via contrastive mechanisms, is a challenging research spot. Among the recent works, hard sample mining-based algorithms have achieved great attention for their promising performance. However, we find that the existing hard sample mining methods have two problems as follows. 1) In the hardness measurement, the important structural information is overlooked for similarity calculation, degrading the representativeness of the selected hard negative samples. 2) Previous works merely focus on the hard negative sample pairs while neglecting the hard positive sample pairs. Nevertheless, samples within the same cluster but with low similarity should also be carefully learned. To solve the problems, we propose a novel contrastive deep graph clustering method dubbed Hard Sample Aware Network (HSAN) by introducing a comprehensive similarity measure criterion and a general dynamic sample weighing strategy. Concretely, in our algorithm, the similarities between samples are calculated by considering both the attribute embeddings and the structure embeddings, better revealing sample relationships and assisting hardness measurement. Moreover, under the guidance of the carefully collected high-confidence clustering information, our proposed weight modulating function will first recognize the positive and negative samples and then dynamically up-weight the hard sample pairs while down-weighting the easy ones. In this way, our method can mine not only the hard negative samples but also the hard positive sample, thus improving the discriminative capability of the samples further. Extensive experiments and analyses demonstrate the superiority and effectiveness of our proposed method.

Predicting discrete events in time and space has many scientific applications, such as predicting hazardous earthquakes and outbreaks of infectious diseases. History-dependent spatio-temporal Hawkes processes are often used to mathematically model these point events. However, previous approaches have faced numerous challenges, particularly when attempting to forecast one or multiple future events. In this work, we propose a new neural architecture for simultaneous multi-event forecasting of spatio-temporal point processes, utilizing transformers, augmented with normalizing flows and probabilistic layers. Our network makes batched predictions of complex history-dependent spatio-temporal distributions of future discrete events, achieving state-of-the-art performance on a variety of benchmark datasets including the South California Earthquakes, Citibike, Covid-19, and Hawkes synthetic pinwheel datasets. More generally, we illustrate how our network can be applied to any dataset of discrete events with associated markers, even when no underlying physics is known.

In this paper, we are interested in developing semantic parsers which understand natural language questions embedded in a conversation with a user and ground them to formal queries over definitions in a general purpose knowledge graph (KG) with very large vocabularies (covering thousands of concept names and relations, and millions of entities). To this end, we develop a dataset where user questions are annotated with Sparql parses and system answers correspond to execution results thereof. We present two different semantic parsing approaches and highlight the challenges of the task: dealing with large vocabularies, modelling conversation context, predicting queries with multiple entities, and generalising to new questions at test time. We hope our dataset will serve as useful testbed for the development of conversational semantic parsers. Our dataset and models are released at https://github.com/EdinburghNLP/SPICE.