The emergence of pretrained models has significantly impacted Natural Language Processing (NLP) and Computer Vision to relational datasets. Traditionally, these models are assessed through fine-tuned downstream tasks. However, this raises the question of how to evaluate these models more efficiently and more effectively. In this study, we explore a novel approach where we leverage the meta features associated with each entity as a source of worldly knowledge and employ entity representations from the models. We propose using the consistency between these representations and the meta features as a metric for evaluating pretrained models. Our method's effectiveness is demonstrated across various domains, including models with relational datasets, large language models and image models.
Uncertainty quantification (UQ) to detect samples with large expected errors (outliers) is applied to reactive molecular potential energy surfaces (PESs). Three methods - Ensembles, Deep Evidential Regression (DER), and Gaussian Mixture Models (GMM) - were applied to the H-transfer reaction between ${\it syn-}$Criegee and vinyl hydroxyperoxide. The results indicate that ensemble models provide the best results for detecting outliers, followed by GMM. For example, from a pool of 1000 structures with the largest uncertainty, the detection quality for outliers is $\sim 90$ \% and $\sim 50$ \%, respectively, if 25 or 1000 structures with large errors are sought. On the contrary, the limitations of the statistical assumptions of DER greatly impacted its prediction capabilities. Finally, a structure-based indicator was found to be correlated with large average error, which may help to rapidly classify new structures into those that provide an advantage for refining the neural network.
We study existing approaches to leverage off-the-shelf Natural Language Inference (NLI) models for the evaluation of summary faithfulness and argue that these are sub-optimal due to the granularity level considered for premises and hypotheses. That is, the smaller content unit considered as hypothesis is a sentence and premises are made up of a fixed number of document sentences. We propose a novel approach, namely InFusE, that uses a variable premise size and simplifies summary sentences into shorter hypotheses. Departing from previous studies which focus on single short document summarisation, we analyse NLI based faithfulness evaluation for diverse summarisation tasks. We introduce DiverSumm, a new benchmark comprising long form summarisation (long documents and summaries) and diverse summarisation tasks (e.g., meeting and multi-document summarisation). In experiments, InFusE obtains superior performance across the different summarisation tasks. Our code and data are available at //github.com/HJZnlp/infuse.
Graph Neural Networks (GNNs) are emerging ML models to analyze graph-structure data. Graph Neural Network (GNN) execution involves both compute-intensive and memory-intensive kernels, the latter dominates the total time, being significantly bottlenecked by data movement between memory and processors. Processing-In-Memory (PIM) systems can alleviate this data movement bottleneck by placing simple processors near or inside to memory arrays. In this work, we introduce PyGim, an efficient ML framework that accelerates GNNs on real PIM systems. We propose intelligent parallelization techniques for memory-intensive kernels of GNNs tailored for real PIM systems, and develop handy Python API for them. We provide hybrid GNN execution, in which the compute-intensive and memory-intensive kernels are executed in processor-centric and memory-centric computing systems, respectively, to match their algorithmic nature. We extensively evaluate PyGim on a real-world PIM system with 1992 PIM cores using emerging GNN models, and demonstrate that it outperforms its state-of-the-art CPU counterpart on Intel Xeon by on average 3.04x, and achieves higher resource utilization than CPU and GPU systems. Our work provides useful recommendations for software, system and hardware designers. PyGim will be open-sourced to enable the widespread use of PIM systems in GNNs.
With the rapid development of Large Language Models (LLMs), various explorations have arisen to utilize LLMs capability of context understanding on recommender systems. While pioneering strategies have primarily transformed traditional recommendation tasks into challenges of natural language generation, there has been a relative scarcity of exploration in the domain of session-based recommendation (SBR) due to its specificity. SBR has been primarily dominated by Graph Neural Networks, which have achieved many successful outcomes due to their ability to capture both the implicit and explicit relationships between adjacent behaviors. The structural nature of graphs contrasts with the essence of natural language, posing a significant adaptation gap for LLMs. In this paper, we introduce large language models with graphical Session-Based recommendation, named LLMGR, an effective framework that bridges the aforementioned gap by harmoniously integrating LLMs with Graph Neural Networks (GNNs) for SBR tasks. This integration seeks to leverage the complementary strengths of LLMs in natural language understanding and GNNs in relational data processing, leading to a more powerful session-based recommender system that can understand and recommend items within a session. Moreover, to endow the LLM with the capability to empower SBR tasks, we design a series of prompts for both auxiliary and major instruction tuning tasks. These prompts are crafted to assist the LLM in understanding graph-structured data and align textual information with nodes, effectively translating nuanced user interactions into a format that can be understood and utilized by LLM architectures. Extensive experiments on three real-world datasets demonstrate that LLMGR outperforms several competitive baselines, indicating its effectiveness in enhancing SBR tasks and its potential as a research direction for future exploration.
Optimal plans in Constrained Partially Observable Markov Decision Processes (CPOMDPs) maximize reward objectives while satisfying hard cost constraints, generalizing safe planning under state and transition uncertainty. Unfortunately, online CPOMDP planning is extremely difficult in large or continuous problem domains. In many large robotic domains, hierarchical decomposition can simplify planning by using tools for low-level control given high-level action primitives (options). We introduce Constrained Options Belief Tree Search (COBeTS) to leverage this hierarchy and scale online search-based CPOMDP planning to large robotic problems. We show that if primitive option controllers are defined to satisfy assigned constraint budgets, then COBeTS will satisfy constraints anytime. Otherwise, COBeTS will guide the search towards a safe sequence of option primitives, and hierarchical monitoring can be used to achieve runtime safety. We demonstrate COBeTS in several safety-critical, constrained partially observable robotic domains, showing that it can plan successfully in continuous CPOMDPs while non-hierarchical baselines cannot.
As cyber-attacks become more sophisticated, improving the robustness of Machine Learning (ML) models must be a priority for enterprises of all sizes. To reliably compare the robustness of different ML models for cyber-attack detection in enterprise computer networks, they must be evaluated in standardized conditions. This work presents a methodical adversarial robustness benchmark of multiple decision tree ensembles with constrained adversarial examples generated from standard datasets. The robustness of regularly and adversarially trained RF, XGB, LGBM, and EBM models was evaluated on the original CICIDS2017 dataset, a corrected version of it designated as NewCICIDS, and the HIKARI dataset, which contains more recent network traffic. NewCICIDS led to models with a better performance, especially XGB and EBM, but RF and LGBM were less robust against the more recent cyber-attacks of HIKARI. Overall, the robustness of the models to adversarial cyber-attack examples was improved without their generalization to regular traffic being affected, enabling a reliable detection of suspicious activity without costly increases of false alarms.
Large Language Models (LLMs) employing Chain-of-Thought (CoT) prompting have broadened the scope for improving multi-step reasoning capabilities. We generally divide multi-step reasoning into two phases: path generation to generate the reasoning path(s); and answer calibration post-processing the reasoning path(s) to obtain a final answer. However, the existing literature lacks systematic analysis on different answer calibration approaches. In this paper, we summarize the taxonomy of recent answer calibration techniques and break them down into step-level and path-level strategies. We then conduct a thorough evaluation on these strategies from a unified view, systematically scrutinizing step-level and path-level answer calibration across multiple paths. Experimental results reveal that integrating the dominance of both strategies tends to derive optimal outcomes. Our study holds the potential to illuminate key insights for optimizing multi-step reasoning with answer calibration.
Previous work has showcased the intriguing capability of large language models (LLMs) in retrieving facts and processing context knowledge. However, only limited research exists on the layer-wise capability of LLMs to encode knowledge, which challenges our understanding of their internal mechanisms. In this paper, we devote the first attempt to investigate the layer-wise capability of LLMs through probing tasks. We leverage the powerful generative capability of ChatGPT to construct probing datasets, providing diverse and coherent evidence corresponding to various facts. We employ $\mathcal V$-usable information as the validation metric to better reflect the capability in encoding context knowledge across different layers. Our experiments on conflicting and newly acquired knowledge show that LLMs: (1) prefer to encode more context knowledge in the upper layers; (2) primarily encode context knowledge within knowledge-related entity tokens at lower layers while progressively expanding more knowledge within other tokens at upper layers; and (3) gradually forget the earlier context knowledge retained within the intermediate layers when provided with irrelevant evidence. Code is publicly available at //github.com/Jometeorie/probing_llama.
Recent advances in the theory of Neural Operators (NOs) have enabled fast and accurate computation of the solutions to complex systems described by partial differential equations (PDEs). Despite their great success, current NO-based solutions face important challenges when dealing with spatio-temporal PDEs over long time scales. Specifically, the current theory of NOs does not present a systematic framework to perform data assimilation and efficiently correct the evolution of PDE solutions over time based on sparsely sampled noisy measurements. In this paper, we propose a learning-based state-space approach to compute the solution operators to infinite-dimensional semilinear PDEs. Exploiting the structure of semilinear PDEs and the theory of nonlinear observers in function spaces, we develop a flexible recursive method that allows for both prediction and data assimilation by combining prediction and correction operations. The proposed framework is capable of producing fast and accurate predictions over long time horizons, dealing with irregularly sampled noisy measurements to correct the solution, and benefits from the decoupling between the spatial and temporal dynamics of this class of PDEs. We show through experiments on the Kuramoto-Sivashinsky, Navier-Stokes and Korteweg-de Vries equations that the proposed model is robust to noise and can leverage arbitrary amounts of measurements to correct its prediction over a long time horizon with little computational overhead.
Few-shot Knowledge Graph (KG) completion is a focus of current research, where each task aims at querying unseen facts of a relation given its few-shot reference entity pairs. Recent attempts solve this problem by learning static representations of entities and references, ignoring their dynamic properties, i.e., entities may exhibit diverse roles within task relations, and references may make different contributions to queries. This work proposes an adaptive attentional network for few-shot KG completion by learning adaptive entity and reference representations. Specifically, entities are modeled by an adaptive neighbor encoder to discern their task-oriented roles, while references are modeled by an adaptive query-aware aggregator to differentiate their contributions. Through the attention mechanism, both entities and references can capture their fine-grained semantic meanings, and thus render more expressive representations. This will be more predictive for knowledge acquisition in the few-shot scenario. Evaluation in link prediction on two public datasets shows that our approach achieves new state-of-the-art results with different few-shot sizes.