OpenRaiser/Intern-Atlas huggingface dataset:
Applications of Explainable artificial intelligence in Earth system science
Venue: arXiv cs.AI 2024
Year: 2024

In recent years, artificial intelligence (AI) rapidly accelerated its influence and is expected to promote the development of Earth system science (ESS) if properly harnessed. In application of AI to ESS, a significant hurdle lies in the interpretability conundrum, an inherent problem of black-box nature arising from the complexity of AI algorithms. To address this, explainable AI (XAI) offers a set of powerful tools that make the models more transparent. The purpose of this review is twofold: First, to provide ESS scholars, especially newcomers, with a foundational understanding of XAI, serving as a primer to inspire future research advances; second, to encourage ESS professionals to embrace the benefits of AI, free from preconceived biases due to its lack of interpretability. We begin with elucidating the concept of XAI, along with typical methods. We then delve into a review of XAI applications in the ESS literature, highlighting the important role that XAI has played in facilitating communication with AI model decisions, improving model diagnosis, and uncovering scientific insights. We identify four significant challenges that XAI faces within the ESS, and propose solutions. Furthermore, we provide a comprehensive illustration of multifaceted perspectives. Given the unique challenges in ESS, an interpretable hybrid approach that seamlessly integrates AI with domain-specific knowledge appears to be a promising way to enhance the utility of AI in ESS. A visionary outlook for ESS envisions a harmonious blend where process-based models govern the known, AI models explore the unknown, and XAI bridges the gap by providing explanations.
Unraveling the Mechanics of Learning-Based Demonstration Selection for In-Context Learning
Venue: arXiv cs.LG 2024
Year: 2024

Large Language Models (LLMs) have demonstrated impressive in-context learning (ICL) capabilities from few-shot demonstration exemplars. While recent learning-based demonstration selection methods have proven beneficial to ICL by choosing more useful exemplars, their underlying mechanisms are opaque, hindering efforts to address limitations such as high training costs and poor generalization across tasks. These methods generally assume the selection process captures similarities between the exemplar and the target instance, however, it remains unknown what kinds of similarities are captured and vital to performing ICL. To dive into this question, we analyze the working mechanisms of the learning-based demonstration selection methods and empirically identify two important factors related to similarity measurement: 1) The ability to integrate different levels of task-agnostic text similarities between the input of exemplars and test cases enhances generalization power across different tasks. 2) Incorporating task-specific labels when measuring the similarities significantly improves the performance on each specific task. We validate these two findings through extensive quantitative and qualitative analyses across ten datasets and various LLMs. Based on our findings, we introduce two effective yet simplified exemplar selection methods catering to task-agnostic and task-specific demands, eliminating the costly LLM inference overhead.
Predicting User Perception of Move Brilliance in Chess
Venue: arXiv cs.AI 2024
Year: 2024

AI research in chess has been primarily focused on producing stronger agents that can maximize the probability of winning. However, there is another aspect to chess that has largely gone unexamined: its aesthetic appeal. Specifically, there exists a category of chess moves called ``brilliant" moves. These moves are appreciated and admired by players for their high intellectual aesthetics. We demonstrate the first system for classifying chess moves as brilliant. The system uses a neural network, using the output of a chess engine as well as features that describe the shape of the game tree. The system achieves an accuracy of 79% (with 50% base-rate), a PPV of 83%, and an NPV of 75%. We demonstrate that what humans perceive as ``brilliant" moves is not merely the best possible move. We show that a move is more likely to be predicted as brilliant, all things being equal, if a weaker engine considers it lower-quality (for the same rating by a stronger engine). Our system opens the avenues for computer chess engines to (appear to) display human-like brilliance, and, hence, creativity.
A Notion of Complexity for Theory of Mind via Discrete World Models
Venue: arXiv cs.AI 2024
Year: 2024

Theory of Mind (ToM) can be used to assess the capabilities of Large Language Models (LLMs) in complex scenarios where social reasoning is required. While the research community has proposed many ToM benchmarks, their hardness varies greatly, and their complexity is not well defined. This work proposes a framework inspired by cognitive load theory to measure the complexity of ToM tasks. We quantify a problem's complexity as the number of states necessary to solve it correctly. Our complexity measure also accounts for spurious states of a ToM problem designed to make it apparently harder. We use our method to assess the complexity of five widely adopted ToM benchmarks. On top of this framework, we design a prompting technique that augments the information available to a model with a description of how the environment changes with the agents' interactions. We name this technique Discrete World Models (DWM) and show how it elicits superior performance on ToM tasks.
Initial Investigation of Kolmogorov-Arnold Networks (KANs) as Feature Extractors for IMU Based Human Activity Recognition
Venue: arXiv cs.LG 2024
Year: 2024

In this work, we explore the use of a novel neural network architecture, the Kolmogorov-Arnold Networks (KANs) as feature extractors for sensor-based (specifically IMU) Human Activity Recognition (HAR). Where conventional networks perform a parameterized weighted sum of the inputs at each node and then feed the result into a statically defined nonlinearity, KANs perform non-linear computations represented by B-SPLINES on the edges leading to each node and then just sum up the inputs at the node. Instead of learning weights, the system learns the spline parameters. In the original work, such networks have been shown to be able to more efficiently and exactly learn sophisticated real valued functions e.g. in regression or PDE solution. We hypothesize that such an ability is also advantageous for computing low-level features for IMU-based HAR. To this end, we have implemented KAN as the feature extraction architecture for IMU-based human activity recognition tasks, including four architecture variations. We present an initial performance investigation of the KAN feature extractor on four public HAR datasets. It shows that the KAN-based feature extractor outperforms CNN-based extractors on all datasets while being more parameter efficient.
Graph Knowledge Distillation to Mixture of Experts
Venue: arXiv cs.LG 2024
Year: 2024

In terms of accuracy, Graph Neural Networks (GNNs) are the best architectural choice for the node classification task. Their drawback in real-world deployment is the latency that emerges from the neighbourhood processing operation. One solution to the latency issue is to perform knowledge distillation from a trained GNN to a Multi-Layer Perceptron (MLP), where the MLP processes only the features of the node being classified (and possibly some pre-computed structural information). However, the performance of such MLPs in both transductive and inductive settings remains inconsistent for existing knowledge distillation techniques. We propose to address the performance concerns by using a specially-designed student model instead of an MLP. Our model, named Routing-by-Memory (RbM), is a form of Mixture-of-Experts (MoE), with a design that enforces expert specialization. By encouraging each expert to specialize on a certain region on the hidden representation space, we demonstrate experimentally that it is possible to derive considerably more consistent performance across multiple datasets. Code available at https://github.com/Rufaim/routing-by-memory.
Long-time asymptotics of noisy SVGD outside the population limit
Venue: arXiv cs.LG 2024
Year: 2024

Stein Variational Gradient Descent (SVGD) is a widely used sampling algorithm that has been successfully applied in several areas of Machine Learning. SVGD operates by iteratively moving a set of interacting particles (which represent the samples) to approximate the target distribution. Despite recent studies on the complexity of SVGD and its variants, their long-time asymptotic behavior (i.e., after numerous iterations ) is still not understood in the finite number of particles regime. We study the long-time asymptotic behavior of a noisy variant of SVGD. First, we establish that the limit set of noisy SVGD for large is well-defined. We then characterize this limit set, showing that it approaches the target distribution as increases. In particular, noisy SVGD provably avoids the variance collapse observed for SVGD. Our approach involves demonstrating that the trajectories of noisy SVGD closely resemble those described by a McKean-Vlasov process.
Crossfusor: A Cross-Attention Transformer Enhanced Conditional Diffusion Model for Car-Following Trajectory Prediction
Venue: arXiv cs.LG 2024
Year: 2024

Vehicle trajectory prediction is crucial for advancing autonomous driving and advanced driver assistance systems (ADAS), enhancing road safety and traffic efficiency. While traditional methods have laid foundational work, modern deep learning techniques, particularly transformer-based models and generative approaches, have significantly improved prediction accuracy by capturing complex and non-linear patterns in vehicle motion and traffic interactions. However, these models often overlook the detailed car-following behaviors and inter-vehicle interactions essential for real-world driving scenarios. This study introduces a Cross-Attention Transformer Enhanced Conditional Diffusion Model (Crossfusor) specifically designed for car-following trajectory prediction. Crossfusor integrates detailed inter-vehicular interactions and car-following dynamics into a robust diffusion framework, improving both the accuracy and realism of predicted trajectories. The model leverages a novel temporal feature encoding framework combining GRU, location-based attention mechanisms, and Fourier embedding to capture historical vehicle dynamics. It employs noise scaled by these encoded historical features in the forward diffusion process, and uses a cross-attention transformer to model intricate inter-vehicle dependencies in the reverse denoising process. Experimental results on the NGSIM dataset demonstrate that Crossfusor outperforms state-of-the-art models, particularly in long-term predictions, showcasing its potential for enhancing the predictive capabilities of autonomous driving systems.
Online Pareto-Optimal Decision-Making for Complex Tasks using Active Inference
Venue: arXiv cs.RO 2024
Year: 2024

When a robot autonomously performs a complex task, it frequently must balance competing objectives while maintaining safety. This becomes more difficult in uncertain environments with stochastic outcomes. Enhancing transparency in the robot's behavior and aligning with user preferences are also crucial. This paper introduces a novel framework for multi-objective reinforcement learning that ensures safe task execution, optimizes trade-offs between objectives, and adheres to user preferences. The framework has two main layers: a multi-objective task planner and a high-level selector. The planning layer generates a set of optimal trade-off plans that guarantee satisfaction of a temporal logic task. The selector uses active inference to decide which generated plan best complies with user preferences and aids learning. Operating iteratively, the framework updates a parameterized learning model based on collected data. Case studies and benchmarks on both manipulation and mobile robots show that our framework outperforms other methods and (i) learns multiple optimal trade-offs, (ii) adheres to a user preference, and (iii) allows the user to adjust the balance between (i) and (ii).
$τ$-bench: A Benchmark for Tool-Agent-User Interaction in Real-World Domains
Venue: arXiv cs.AI 2024
Year: 2024

Existing benchmarks do not test language agents on their interaction with human users or ability to follow domain-specific rules, both of which are vital for deploying them in real world applications. We propose $τ$-bench, a benchmark emulating dynamic conversations between a user (simulated by language models) and a language agent provided with domain-specific API tools and policy guidelines. We employ an efficient and faithful evaluation process that compares the database state at the end of a conversation with the annotated goal state. We also propose a new metric (pass^k) to evaluate the reliability of agent behavior over multiple trials. Our experiments show that even state-of-the-art function calling agents (like gpt-4o) succeed on <50% of the tasks, and are quite inconsistent (pass^8 <25% in retail). Our findings point to the need for methods that can improve the ability of agents to act consistently and follow rules reliably.
UniGLM: Training One Unified Language Model for Text-Attributed Graph Embedding
Venue: arXiv cs.CL 2024
Year: 2024

Representation learning on text-attributed graphs (TAGs), where nodes are represented by textual descriptions, is crucial for textual and relational knowledge systems and recommendation systems. Currently, state-of-the-art embedding methods for TAGs primarily focus on fine-tuning language models (e.g., BERT) using structure-aware training signals. While effective, these methods are tailored for individual TAG and cannot generalize across various graph scenarios. Given the shared textual space, leveraging multiple TAGs for joint fine-tuning, aligning text and graph structure from different aspects, would be more beneficial. Motivated by this, we introduce a novel Unified Graph Language Model (UniGLM) framework, the first graph embedding model that generalizes well to both in-domain and cross-domain TAGs. Specifically, UniGLM is trained over multiple TAGs with different domains and scales using self-supervised contrastive learning. UniGLM includes an adaptive positive sample selection technique for identifying structurally similar nodes and a lazy contrastive module that is devised to accelerate training by minimizing repetitive encoding calculations. Extensive empirical results across 9 benchmark TAGs demonstrate UniGLM's efficacy against leading embedding baselines in terms of generalization (various downstream tasks and backbones) and transfer learning (in and out of domain scenarios). The code is available at https://github.com/NYUSHCS/UniGLM.
Language Models are Surprisingly Fragile to Drug Names in Biomedical Benchmarks
Venue: arXiv cs.CL 2024
Year: 2024

Medical knowledge is context-dependent and requires consistent reasoning across various natural language expressions of semantically equivalent phrases. This is particularly crucial for drug names, where patients often use brand names like Advil or Tylenol instead of their generic equivalents. To study this, we create a new robustness dataset, RABBITS, to evaluate performance differences on medical benchmarks after swapping brand and generic drug names using physician expert annotations. We assess both open-source and API-based LLMs on MedQA and MedMCQA, revealing a consistent performance drop ranging from 1-10\%. Furthermore, we identify a potential source of this fragility as the contamination of test data in widely used pre-training datasets. All code is accessible at https://github.com/BittermanLab/RABBITS, and a HuggingFace leaderboard is available at https://huggingface.co/spaces/AIM-Harvard/rabbits-leaderboard.
Thrombogenic Risk Assessment of Transcatheter Prosthetic Heart Valves Using a Fluid-Structure Interaction Approach
Venue: arXiv cs.CE 2024
Year: 2024

Prosthetic heart valve interventions such as TAVR have surged over the past decade, but the associated complication of long-term, life-threatening thrombotic events continues to undermine patient outcomes. Thus, improving thrombogenic risk analysis of TAVR devices is crucial. In vitro studies for thrombogenicity are typically difficult to perform. However, revised ISO testing standards include computational testing for thrombogenic risk assessment of cardiovascular implants. We present a fluid-structure interaction (FSI) approach for assessing thrombogenic risk of prosthetic heart valves. An FSI framework was implemented via the incompressible computational fluid dynamics multi-physics solver of the Ansys LS-DYNA software. The numerical modeling approach for flow analysis was validated by comparing the derived flow rate of the 29-mm CoreValve device from benchtop testing and orifice areas of commercial TAVR valves in the literature to in silico results. Thrombogenic risk was analyzed by computing stress accumulation (SA) on virtual platelets seeded in the flow fields via Ansys EnSight. The integrated FSI-thrombogenicity methodology was subsequently employed to examine hemodynamics and thrombogenic risk of TAVR devices with two approaches: 1) engineering optimization and 2) clinical assessment. Our methodology can be used to improve the thromboresistance of prosthetic valves from the initial design stage to the clinic. It allows for unparalleled optimization of devices, uncovering key TAVR leaflet design parameters that can be used to mitigate thrombogenic risk, in addition to patient-specific modeling to evaluate device performance. This work demonstrates the utility of advanced in silico analysis of TAVR devices that can be utilized for thrombogenic risk assessment of other blood recirculating devices.
Is persona enough for personality? Using ChatGPT to reconstruct an agent's latent personality from simple descriptions
Venue: arXiv cs.CL 2024
Year: 2024

Personality, a fundamental aspect of human cognition, contains a range of traits that influence behaviors, thoughts, and emotions. This paper explores the capabilities of large language models (LLMs) in reconstructing these complex cognitive attributes based only on simple descriptions containing socio-demographic and personality type information. Utilizing the HEXACO personality framework, our study examines the consistency of LLMs in recovering and predicting underlying (latent) personality dimensions from simple descriptions. Our experiments reveal a significant degree of consistency in personality reconstruction, although some inconsistencies and biases, such as a tendency to default to positive traits in the absence of explicit information, are also observed. Additionally, socio-demographic factors like age and number of children were found to influence the reconstructed personality dimensions. These findings have implications for building sophisticated agent-based simulacra using LLMs and highlight the need for further research on robust personality generation in LLMs.
Refine Large Language Model Fine-tuning via Instruction Vector
Venue: arXiv cs.AI 2024
Year: 2024

Fine-tuning large language models (LLMs) can cause them to lose their general capabilities. However, the intrinsic mechanisms behind such forgetting remain unexplored. In this paper, we begin by examining this phenomenon by focusing on knowledge understanding and instruction following, with the latter identified as the main contributor to forgetting during fine-tuning. Consequently, we propose the Instruction Vector (IV) framework to capture model representations highly related to specific instruction-following capabilities, thereby making it possible to understand model-intrinsic forgetting. Through the analysis of IV dynamics pre and post-training, we suggest that fine-tuning mostly adds specialized reasoning patterns instead of erasing previous skills, which may appear as forgetting. Building on this insight, we develop IV-guided training, which aims to preserve original computation graph, thereby mitigating catastrophic forgetting. Empirical tests on three benchmarks confirm the efficacy of this new approach, supporting the relationship between IVs and forgetting. Our code will be made available soon.
Sparse MIMO for ISAC: New Opportunities and Challenges
Venue: arXiv cs.IT 2024
Year: 2024

Multiple-input multiple-output (MIMO) has been a key technology of wireless communications for decades. A typical MIMO system employs antenna arrays with the inter-antenna spacing being half of the signal wavelength, which we term as compact MIMO. Looking forward towards the future sixth-generation (6G) mobile communication networks, MIMO system will achieve even finer spatial resolution to not only enhance the spectral efficiency of wireless communications, but also enable more accurate wireless sensing. To this end, by removing the restriction of half-wavelength antenna spacing, sparse MIMO has been proposed as a new architecture that is able to significantly enlarge the array aperture as compared to conventional compact MIMO with the same number of array elements. In addition, sparse MIMO leads to a new form of virtual MIMO systems for sensing with their virtual apertures considerably larger than physical apertures. As sparse MIMO is expected to be a viable technology for 6G, we provide in this article a comprehensive overview of it, especially focusing on its appealing advantages for integrated sensing and communication (ISAC) towards 6G. Specifically, assorted sparse MIMO architectures are first introduced, followed by their new benefits as well as challenges. We then discuss the main design issues of sparse MIMO, including beam pattern synthesis, signal processing, grating lobe suppression, beam codebook design, and array geometry optimization. Last, we provide numerical results to evaluate the performance of sparse MIMO for ISAC and point out promising directions for future research.
SafeInfer: Context Adaptive Decoding Time Safety Alignment for Large Language Models
Venue: arXiv cs.CL 2024
Year: 2024

Safety-aligned language models often exhibit fragile and imbalanced safety mechanisms, increasing the likelihood of generating unsafe content. In addition, incorporating new knowledge through editing techniques to language models can further compromise safety. To address these issues, we propose SafeInfer, a context-adaptive, decoding-time safety alignment strategy for generating safe responses to user queries. SafeInfer comprises two phases: the safety amplification phase, which employs safe demonstration examples to adjust the model's hidden states and increase the likelihood of safer outputs, and the safety-guided decoding phase, which influences token selection based on safety-optimized distributions, ensuring the generated content complies with ethical guidelines. Further, we present HarmEval, a novel benchmark for extensive safety evaluations, designed to address potential misuse scenarios in accordance with the policies of leading AI tech giants.