We study a constructive algorithm that approximates Gateaux derivatives for statistical functionals by finite differencing, with a focus on functionals that arise in causal inference. We study the case where probability distributions are not known a priori but need to be estimated from data. These estimated distributions lead to empirical Gateaux derivatives, and we study the relationships between empirical, numerical, and analytical Gateaux derivatives. Starting with a case study of the interventional mean (average potential outcome), we delineate the relationship between finite differences and the analytical Gateaux derivative. We then derive requirements on the rates of numerical approximation in perturbation and smoothing that preserve the statistical benefits of one-step adjustments, such as rate double robustness. We then study more complicated functionals such as dynamic treatment regimes, the linear-programming formulation for policy optimization in infinite-horizon Markov decision processes, and sensitivity analysis in causal inference. More broadly, we study optimization-based estimators, since this begets a class of estimands where identification via regression adjustment is straightforward but obtaining influence functions under minor variations thereof is not. The ability to approximate bias adjustments in the presence of arbitrary constraints illustrates the usefulness of constructive approaches for Gateaux derivatives. We also find that the statistical structure of the functional (rate double robustness) can permit less conservative rates for finite-difference approximation. This property, however, can be specific to particular functionals; e.g., it occurs for the average potential outcome (hence average treatment effect) but not the infinite-horizon MDP policy value.
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Interface problems have long been a major focus of scientific computing, leading to the development of various numerical methods. Traditional mesh-based methods often employ time-consuming body-fitted meshes with standard discretization schemes or unfitted meshes with tailored schemes to achieve controllable accuracy and convergence rate. Along another line, mesh-free methods bypass mesh generation but lack robustness in terms of convergence and accuracy due to the low regularity of solutions. In this study, we propose a novel method for solving interface problems within the framework of the random feature method. This approach utilizes random feature functions in conjunction with a partition of unity as approximation functions. It evaluates partial differential equations, boundary conditions, and interface conditions on collocation points in equal footing, and solves a linear least-squares system to obtain the approximate solution. To address the issue of low regularity, two sets of random feature functions are used to approximate the solution on each side of the interface, which are then coupled together via interface conditions. We validate our method through a series of increasingly complex numerical examples. Our findings show that despite the solution often being only continuous or even discontinuous, our method not only eliminates the need for mesh generation but also maintains high accuracy, akin to the spectral collocation method for smooth solutions. Remarkably, for the same accuracy requirement, our method requires two to three orders of magnitude fewer degrees of freedom than traditional methods, demonstrating its significant potential for solving interface problems with complex geometries.
The derivation of mathematical results in specialised fields, using Large Language Models (LLMs), is an emerging research direction that can help identify models' limitations, and potentially support mathematical discovery. In this paper, we leverage a symbolic engine to generate derivations of equations at scale, and investigate the capabilities of LLMs when deriving goal equations from premises. Specifically, we employ in-context learning for GPT and fine-tune a range of T5 models to compare the robustness and generalisation of pre-training strategies to specialised models. Empirical results show that fine-tuned FLAN-T5-large (MathT5) outperforms GPT models on all static and out-of-distribution test sets in conventional scores. However, an in-depth analysis reveals that the fine-tuned models are more sensitive to perturbations involving unseen symbols and (to a lesser extent) changes to equation structure. In addition, we analyse 1.7K equations, and over 200 derivations, to highlight common reasoning errors such as the inclusion of incorrect, irrelevant, and redundant equations. Finally, we explore the suitability of existing metrics for evaluating mathematical derivations and find evidence that, while they can capture general properties such as sensitivity to perturbations, they fail to highlight fine-grained reasoning errors and essential differences between models. Overall, this work demonstrates that training models on synthetic data may improve their math capabilities beyond much larger LLMs, but current metrics are not appropriately assessing the quality of generated mathematical text.
We apply program verification technology to the problem of specifying and verifying automatic differentiation (AD) algorithms. We focus on define-by-run, a style of AD where the program that must be differentiated is executed and monitored by the automatic differentiation algorithm. We begin by asking, "what is an implementation of AD?" and "what does it mean for an implementation of AD to be correct?" We answer these questions both at an informal level, in precise English prose, and at a formal level, using types and logical assertions. After answering these broad questions, we focus on a specific implementation of AD, which involves a number of subtle programming-language features, including dynamically allocated mutable state, first-class functions, and effect handlers. We present a machine-checked proof, expressed in a modern variant of Separation Logic, of its correctness. We view this result as an advanced exercise in program verification, with potential future applications to the verification of more realistic automatic differentiation systems and of other software components that exploit delimited-control effects.
Reconstructing interacting hands from monocular RGB data is a challenging task, as it involves many interfering factors, e.g. self- and mutual occlusion and similar textures. Previous works only leverage information from a single RGB image without modeling their physically plausible relation, which leads to inferior reconstruction results. In this work, we are dedicated to explicitly exploiting spatial-temporal information to achieve better interacting hand reconstruction. On one hand, we leverage temporal context to complement insufficient information provided by the single frame, and design a novel temporal framework with a temporal constraint for interacting hand motion smoothness. On the other hand, we further propose an interpenetration detection module to produce kinetically plausible interacting hands without physical collisions. Extensive experiments are performed to validate the effectiveness of our proposed framework, which achieves new state-of-the-art performance on public benchmarks.
We present the first decentralized algorithm for detecting predicates over continuous-time signals under partial synchrony. A distributed cyber-physical system (CPS) consists of a network of agents, each of which measures (or computes) a continuous-time signal. Examples include distributed industrial controllers connected over wireless networks and connected vehicles in traffic. The safety requirements of such CPS, expressed as logical predicates, must be monitored at runtime. This monitoring faces three challenges: first, every agent only knows its own signal, whereas the safety requirement is global and carries over multiple signals. Second, the agents' local clocks drift from each other, so they do not even agree on the time. Thus, it is not clear which signal values are actually synchronous to evaluate the safety predicate. Third, CPS signals are continuous-time so there are potentially uncountably many safety violations to be reported. In this paper, we present the first decentralized algorithm for detecting conjunctive predicates in this setup. Our algorithm returns all possible violations of the predicate, which is important for eliminating bugs from distributed systems regardless of actual clock drift. We prove that this detection algorithm is in the same complexity class as the detector for discrete systems. We implement our detector and validate it experimentally.
Graph-based kNN algorithms have garnered widespread popularity for machine learning tasks, due to their simplicity and effectiveness. However, the conventional kNN graph's reliance on a fixed value of k can hinder its performance, especially in scenarios involving complex data distributions. Moreover, like other classification models, the presence of ambiguous samples along decision boundaries often presents a challenge, as they are more prone to incorrect classification. To address these issues, we propose the Preferential Attached k-Nearest Neighbors Graph (paNNG), which combines adaptive kNN with distribution-based graph construction. By incorporating distribution information, paNNG can significantly improve performance for ambiguous samples by "pulling" them towards their original classes and hence enable enhanced overall accuracy and generalization capability. Through rigorous evaluations on diverse benchmark datasets, paNNG outperforms state-of-the-art algorithms, showcasing its adaptability and efficacy across various real-world scenarios.
This paper investigates the multiple-input-multiple-output (MIMO) massive unsourced random access in an asynchronous orthogonal frequency division multiplexing (OFDM) system, with both timing and frequency offsets (TFO) and non-negligible user collisions. The proposed coding framework splits the data into two parts encoded by sparse regression code (SPARC) and low-density parity check (LDPC) code. Multistage orthogonal pilots are transmitted in the first part to reduce collision density. Unlike existing schemes requiring a quantization codebook with a large size for estimating TFO, we establish a \textit{graph-based channel reconstruction and collision resolution (GB-CR$^2$)} algorithm to iteratively reconstruct channels, resolve collisions, and compensate for TFO rotations on the formulated graph jointly among multiple stages. We further propose to leverage the geometric characteristics of signal constellations to correct TFO estimations. Exhaustive simulations demonstrate remarkable performance superiority in channel estimation and data recovery with substantial complexity reduction compared to state-of-the-art schemes.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
Cold-start problems are long-standing challenges for practical recommendations. Most existing recommendation algorithms rely on extensive observed data and are brittle to recommendation scenarios with few interactions. This paper addresses such problems using few-shot learning and meta learning. Our approach is based on the insight that having a good generalization from a few examples relies on both a generic model initialization and an effective strategy for adapting this model to newly arising tasks. To accomplish this, we combine the scenario-specific learning with a model-agnostic sequential meta-learning and unify them into an integrated end-to-end framework, namely Scenario-specific Sequential Meta learner (or s^2 meta). By doing so, our meta-learner produces a generic initial model through aggregating contextual information from a variety of prediction tasks while effectively adapting to specific tasks by leveraging learning-to-learn knowledge. Extensive experiments on various real-world datasets demonstrate that our proposed model can achieve significant gains over the state-of-the-arts for cold-start problems in online recommendation. Deployment is at the Guess You Like session, the front page of the Mobile Taobao.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.
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