From Shapes to Shapes: Inferring SHACL Shapes for Results of SPARQL CONSTRUCT Queries (Extended Version)

SPARQL CONSTRUCT queries allow for the specification of data processing pipelines that transform given input graphs into new output graphs. It is now common to constrain graphs through SHACL shapes allowing users to understand which data they can expect and which not. However, it becomes challenging to understand what graph data can be expected at the end of a data processing pipeline without knowing the particular input data: Shape constraints on the input graph may affect the output graph, but may no longer apply literally, and new shapes may be imposed by the query template. In this paper, we study the derivation of shape constraints that hold on all possible output graphs of a given SPARQL CONSTRUCT query. We assume that the SPARQL CONSTRUCT query is fixed, e.g., being part of a program, whereas the input graphs adhere to input shape constraints but may otherwise vary over time and, thus, are mostly unknown. We study a fragment of SPARQL CONSTRUCT queries (SCCQ) and a fragment of SHACL (Simple SHACL). We formally define the problem of deriving the most restrictive set of Simple SHACL shapes that constrain the results from evaluating a SCCQ over any input graph restricted by a given set of Simple SHACL shapes. We propose and implement an algorithm that statically analyses input SHACL shapes and CONSTRUCT queries and prove its soundness and complexity.

Adaptive Hierarchical Certification for Segmentation using Randomized Smoothing

Common certification methods operate on a flat pre-defined set of fine-grained classes. In this paper, however, we propose a novel, more general, and practical setting, namely adaptive hierarchical certification for image semantic segmentation. In this setting, the certification can be within a multi-level hierarchical label space composed of fine to coarse levels. Unlike classic methods where the certification would abstain for unstable components, our approach adaptively relaxes the certification to a coarser level within the hierarchy. This relaxation lowers the abstain rate whilst providing more certified semantically meaningful information. We mathematically formulate the problem setup and introduce, for the first time, an adaptive hierarchical certification algorithm for image semantic segmentation, that certifies image pixels within a hierarchy and prove the correctness of its guarantees. Since certified accuracy does not take the loss of information into account when traversing into a coarser hierarchy level, we introduce a novel evaluation paradigm for adaptive hierarchical certification, namely the certified information gain metric, which is proportional to the class granularity level. Our evaluation experiments on real-world challenging datasets such as Cityscapes and ACDC demonstrate that our adaptive algorithm achieves a higher certified information gain and a lower abstain rate compared to the current state-of-the-art certification method, as well as other non-adaptive versions of it.

Deep Learning-based Group Causal Inference in Multivariate Time-series

Causal inference in a nonlinear system of multivariate timeseries is instrumental in disentangling the intricate web of relationships among variables, enabling us to make more accurate predictions and gain deeper insights into real-world complex systems. Causality methods typically identify the causal structure of a multivariate system by considering the cause-effect relationship of each pair of variables while ignoring the collective effect of a group of variables or interactions involving more than two-time series variables. In this work, we test model invariance by group-level interventions on the trained deep networks to infer causal direction in groups of variables, such as climate and ecosystem, brain networks, etc. Extensive testing with synthetic and real-world time series data shows a significant improvement of our method over other applied group causality methods and provides us insights into real-world time series. The code for our method can be found at:https://github.com/wasimahmadpk/gCause.

How Realistic Is Your Synthetic Data? Constraining Deep Generative Models for Tabular Data

Deep Generative Models (DGMs) have been shown to be powerful tools for generating tabular data, as they have been increasingly able to capture the complex distributions that characterize them. However, to generate realistic synthetic data, it is often not enough to have a good approximation of their distribution, as it also requires compliance with constraints that encode essential background knowledge on the problem at hand. In this paper, we address this limitation and show how DGMs for tabular data can be transformed into Constrained Deep Generative Models (C-DGMs), whose generated samples are guaranteed to be compliant with the given constraints. This is achieved by automatically parsing the constraints and transforming them into a Constraint Layer (CL) seamlessly integrated with the DGM. Our extensive experimental analysis with various DGMs and tasks reveals that standard DGMs often violate constraints, some exceeding $95\%$ non-compliance, while their corresponding C-DGMs are never non-compliant. Then, we quantitatively demonstrate that, at training time, C-DGMs are able to exploit the background knowledge expressed by the constraints to outperform their standard counterparts with up to $6.5\%$ improvement in utility and detection. Further, we show how our CL does not necessarily need to be integrated at training time, as it can be also used as a guardrail at inference time, still producing some improvements in the overall performance of the models. Finally, we show that our CL does not hinder the sample generation time of the models.

A Competition Winning Deep Reinforcement Learning Agent in microRTS

Scripted agents have predominantly won the five previous iterations of the IEEE microRTS ($\mu$RTS) competitions hosted at CIG and CoG. Despite Deep Reinforcement Learning (DRL) algorithms making significant strides in real-time strategy (RTS) games, their adoption in this primarily academic competition has been limited due to the considerable training resources required and the complexity inherent in creating and debugging such agents. RAISocketAI is the first DRL agent to win the IEEE microRTS competition. In a benchmark without performance constraints, RAISocketAI regularly defeated the two prior competition winners. This first competition-winning DRL submission can be a benchmark for future microRTS competitions and a starting point for future DRL research. Iteratively fine-tuning the base policy and transfer learning to specific maps were critical to RAISocketAI's winning performance. These strategies can be used to economically train future DRL agents. Further work in Imitation Learning using Behavior Cloning and fine-tuning these models with DRL has proven promising as an efficient way to bootstrap models with demonstrated, competitive behaviors.

Avoiding Catastrophe in Continuous Spaces by Asking for Help

Most reinforcement learning algorithms with formal regret guarantees assume all mistakes are reversible and rely on essentially trying all possible options. This approach leads to poor outcomes when some mistakes are irreparable or even catastrophic. We propose a variant of the contextual bandit problem where the goal is to minimize the chance of catastrophe. Specifically, we assume that the payoff each round represents the chance of avoiding catastrophe that round, and try to maximize the product of payoffs (the overall chance of avoiding catastrophe). To give the agent some chance of success, we allow a limited number of queries to a mentor and assume a Lipschitz continuous payoff function. We present an algorithm whose regret and rate of querying the mentor both approach 0 as the time horizon grows, assuming a continuous 1D state space and a relatively "simple" payoff function. We also provide a matching lower bound: without the simplicity assumption: any algorithm either constantly asks for help or is nearly guaranteed to cause catastrophe. Finally, we identify the key obstacle to generalizing our algorithm to a multi-dimensional state space.

Volitional Control of the Paretic Hand Post-Stroke Increases Finger Stiffness and Resistance to Robot-Assisted Movement

Increased effort during use of the paretic arm and hand can provoke involuntary abnormal synergy patterns and amplify stiffness effects of muscle tone for individuals after stroke, which can add difficulty for user-controlled devices to assist hand movement during functional tasks. We study how volitional effort, exerted in an attempt to open or close the hand, affects resistance to robot-assisted movement at the finger level. We perform experiments with three chronic stroke survivors to measure changes in stiffness when the user is actively exerting effort to activate ipsilateral EMG-controlled robot-assisted hand movements, compared with when the fingers are passively stretched, as well as overall effects from sustained active engagement and use. Our results suggest that active engagement of the upper extremity increases muscle tone in the finger to a much greater degree than through passive-stretch or sustained exertion over time. Potential design implications of this work suggest that developers should anticipate higher levels of finger stiffness when relying on user-driven ipsilateral control methods for assistive or rehabilitative devices for stroke.

Anchor-based Large Language Models

Large language models (LLMs) predominantly employ decoder-only transformer architectures, necessitating the retention of keys/values information for historical tokens to provide contextual information and avoid redundant computation. However, the substantial size and parameter volume of these LLMs require massive GPU memory. This memory demand increases with the length of the input text, leading to an urgent need for more efficient methods of information storage and processing. This study introduces the Anchor-based LLM (AnLLM), which utilizes an innovative anchor-based self-attention network (AnSAN) and also an anchor-based inference strategy. This approach enables LLMs to compress sequence information into an anchor token, reducing the keys/values cache and enhancing inference efficiency. Experiments show that the AnLLM maintains comparable accuracy with up to 99% keys/values cache reduction and up to 3.5 times faster inference. Despite a minor compromise in accuracy, the AnLLM significantly improves computational efficiency and resource utilization, demonstrating the potential of the anchor-based attention approach in the context of LLMs for real-time inference in practical applications.

Correctness Verification of Neural Networks Approximating Differential Equations

Verification of Neural Networks (NNs) that approximate the solution of Partial Differential Equations (PDEs) is a major milestone towards enhancing their trustworthiness and accelerating their deployment, especially for safety-critical systems. If successful, such NNs can become integral parts of simulation software tools which can accelerate the simulation of complex dynamic systems more than 100 times. However, the verification of these functions poses major challenges; it is not straightforward how to efficiently bound them or how to represent the derivative of the NN. This work addresses both these problems. First, we define the NN derivative as a finite difference approximation. Then, we formulate the PDE residual bounding problem alongside the Initial Value Problem's error propagation. Finally, for the first time, we tackle the problem of bounding an NN function without a priori knowledge of the output domain. For this, we build a parallel branching algorithm that combines the incomplete CROWN solver and Gradient Attack for termination and domain rejection conditions. We demonstrate the strengths and weaknesses of the proposed framework, and we suggest further work to enhance its efficiency.

Un-Mixing Test-Time Normalization Statistics: Combatting Label Temporal Correlation

In an era where test-time adaptation methods increasingly rely on the nuanced manipulation of batch normalization (BN) parameters, one critical assumption often goes overlooked: that of independently and identically distributed (i.i.d.) test batches with respect to unknown labels. This assumption culminates in biased estimates of BN statistics and jeopardizes system stability under non-i.i.d. conditions. This paper pioneers a departure from the i.i.d. paradigm by introducing a groundbreaking strategy termed "Un-Mixing Test-Time Normalization Statistics" (UnMix-TNS). UnMix-TNS re-calibrates the instance-wise statistics used to normalize each instance in a batch by mixing it with multiple unmixed statistics components, thus inherently simulating the i.i.d. environment. The key lies in our innovative online unmixing procedure, which persistently refines these statistics components by drawing upon the closest instances from an incoming test batch. Remarkably generic in its design, UnMix-TNS seamlessly integrates with an array of state-of-the-art test-time adaptation methods and pre-trained architectures equipped with BN layers. Empirical evaluations corroborate the robustness of UnMix-TNS under varied scenarios ranging from single to continual and mixed domain shifts. UnMix-TNS stands out when handling test data streams with temporal correlation, including those with corrupted real-world non-i.i.d. streams, sustaining its efficacy even with minimal batch sizes and individual samples. Our results set a new standard for test-time adaptation, demonstrating significant improvements in both stability and performance across multiple benchmarks.