Large Language Models (LLMs) have the potential to revolutionize scientific research, yet their robustness and reliability in domain-specific applications remain insufficiently explored. This study conducts a comprehensive evaluation and robustness analysis of LLMs within the field of materials science, focusing on domain-specific question answering and materials property prediction. Three distinct datasets are used in this study: 1) a set of multiple-choice questions from undergraduate-level materials science courses, 2) a dataset including various steel compositions and yield strengths, and 3) a band gap dataset, containing textual descriptions of material crystal structures and band gap values. The performance of LLMs is assessed using various prompting strategies, including zero-shot chain-of-thought, expert prompting, and few-shot in-context learning. The robustness of these models is tested against various forms of 'noise', ranging from realistic disturbances to intentionally adversarial manipulations, to evaluate their resilience and reliability under real-world conditions. Additionally, the study uncovers unique phenomena of LLMs during predictive tasks, such as mode collapse behavior when the proximity of prompt examples is altered and performance enhancement from train/test mismatch. The findings aim to provide informed skepticism for the broad use of LLMs in materials science and to inspire advancements that enhance their robustness and reliability for practical applications.

The measure of intelligence is the ability to change. Abstract The Fall 2024 Logic in Computer Science column of the Bulletin of EATCS is a little discussion on intelligence, measuring intelligence, and related issues, provoked by a fascinating must-read article "On the measure of intelligence" by François Chollet. The discussion includes a modicum of critique of the article. Q: Is it about psychology? Chollet is a prominent figure in AI. Q: We spoke about AI last spring. But you didn't seem to be interested in AI before that. A: This is largely correct, though I read Norbert Wiener's "Cybernetics" [18], when it was translated to Russian in 1968, and was taken with it. For a while I tried to follow cybernetics developments, at least in the USSR.

Multi-Agent Path Finding (MAPF) is the problem of effectively finding efficient collision-free paths for a group of agents in a shared workspace. The MAPF community has largely focused on developing high-performance heuristic search methods. Recently, several works have applied various machine learning (ML) techniques to solve MAPF, usually involving sophisticated architectures, reinforcement learning techniques, and set-ups, but none using large amounts of high-quality supervised data. Our initial objective in this work was to show how simple large scale imitation learning of high-quality heuristic search methods can lead to state-of-the-art ML MAPF performance. However, we find that, at least with our model architecture, simple large scale (700k examples with hundreds of agents per example) imitation learning does \textit{not} produce impressive results. Instead, we find that by using prior work that post-processes MAPF model predictions to resolve 1-step collisions (CS-PIBT), we can train a simple ML MAPF model in minutes that dramatically outperforms existing ML MAPF policies. This has serious implications for all future ML MAPF policies (with local communication) which currently struggle to scale. In particular, this finding implies that future learnt policies should (1) always use smart 1-step collision shields (e.g. CS-PIBT), (2) always include the collision shield with greedy actions as a baseline (e.g. PIBT) and (3) motivates future models to focus on longer horizon / more complex planning as 1-step collisions can be efficiently resolved.

Machine learning is permeating every conceivable domain to promote data-driven decision support. The focus is often on advanced black-box models due to their assumed performance advantages, whereas interpretable models are often associated with inferior predictive qualities. More recently, however, a new generation of generalized additive models (GAMs) has been proposed that offer promising properties for capturing complex, non-linear patterns while remaining fully interpretable. To uncover the merits and limitations of these models, this study examines the predictive performance of seven different GAMs in comparison to seven commonly used machine learning models based on a collection of twenty tabular benchmark datasets. To ensure a fair and robust model comparison, an extensive hyperparameter search combined with cross-validation was performed, resulting in 68,500 model runs. In addition, this study qualitatively examines the visual output of the models to assess their level of interpretability. Based on these results, the paper dispels the misconception that only black-box models can achieve high accuracy by demonstrating that there is no strict trade-off between predictive performance and model interpretability for tabular data. Furthermore, the paper discusses the importance of GAMs as powerful interpretable models for the field of information systems and derives implications for future work from a socio-technical perspective.

Large language models (LLMs) have gained increasing attention due to their prominent ability to understand and process texts. Nevertheless, LLMs largely remain opaque. The lack of understanding of LLMs has obstructed the deployment in safety-critical scenarios and hindered the development of better models. In this study, we advance the understanding of LLM by investigating the significance of individual layers in LLMs. We propose an efficient sampling method to faithfully evaluate the importance of layers using Shapley values, a widely used explanation framework in feature attribution and data valuation. In addition, we conduct layer ablation experiments to assess the performance degradation resulting from the exclusion of specific layers. Our findings reveal the existence of cornerstone layers, wherein certain early layers can exhibit a dominant contribution over others. Removing one cornerstone layer leads to a drastic collapse of the model performance, often reducing it to random guessing. Conversely, removing non-cornerstone layers results in only marginal performance changes. This study identifies cornerstone layers in LLMs and underscores their critical role for future research.

Generative AI agents are often expected to respond to complex user requests that have No One Right Answer (NORA), e.g., "design a vegetarian meal plan below 1800 calories". Such requests may entail a set of constraints that the agent should adhere to. To successfully develop agents for NORA scenarios, an accurate automatic evaluation framework is essential, and specifically - one capable of validating the satisfaction of constraints in the agent's response. Recently, large language models (LLMs) have been adopted as versatile evaluators for many NORA tasks, but their ability to evaluate constraint-satisfaction in generated text remains unclear. To study this, we develop and release a novel Arithmetic Constraint-Satisfaction (ACS) benchmarking dataset. The dataset consists of complex user requests with corresponding constraints, agent responses and human labels indicating each constraint's satisfaction level in the response. A unique property of this dataset is that validating many of its constraints requires reviewing the response as a whole (in contrast to many other benchmarks that require the validation of a single independent item). Moreover, it assesses LLMs in performing reasoning, in-context data extraction, arithmetic calculations, and counting. We then benchmark both open and proprietary LLMs on evaluating constraint-satisfaction, and show that most models still have a significant headroom for improvement, and that errors primarily stem from reasoning issues. In addition, most models exhibit a skewed constraint-satisfaction prediction pattern, with higher accuracy where the ground-truth label is "satisfied". Lastly, few-shot prompting for our task proved to be rather challenging, since many of the studied models showed a degradation in performance when it was introduced.

Large Language Models (LLMs) show promise in generating code comments for novice programmers, but their educational effectiveness remains under-evaluated. This study assesses the instructional quality of code comments produced by GPT-4, GPT-3.5-Turbo, and Llama2, compared to expert-developed comments, focusing on their suitability for novices. Analyzing a dataset of ``easy'' level Java solutions from LeetCode, we find that GPT-4 exhibits comparable quality to expert comments in aspects critical for beginners, such as clarity, beginner-friendliness, concept elucidation, and step-by-step guidance. GPT-4 outperforms Llama2 in discussing complexity (chi-square = 11.40, p = 0.001) and is perceived as significantly more supportive for beginners than GPT-3.5 and Llama2 with Mann-Whitney U-statistics = 300.5 and 322.5, p = 0.0017 and 0.0003). This study highlights the potential of LLMs for generating code comments tailored to novice programmers.

The remarkable advancements in artificial intelligence (AI), primarily driven by deep neural networks, are facing challenges surrounding unsustainable computational trajectories, limited robustness, and a lack of explainability. To develop next-generation cognitive AI systems, neuro-symbolic AI emerges as a promising paradigm, fusing neural and symbolic approaches to enhance interpretability, robustness, and trustworthiness, while facilitating learning from much less data. Recent neuro-symbolic systems have demonstrated great potential in collaborative human-AI scenarios with reasoning and cognitive capabilities. In this paper, we aim to understand the workload characteristics and potential architectures for neuro-symbolic AI. We first systematically categorize neuro-symbolic AI algorithms, and then experimentally evaluate and analyze them in terms of runtime, memory, computational operators, sparsity, and system characteristics on CPUs, GPUs, and edge SoCs. Our studies reveal that neuro-symbolic models suffer from inefficiencies on off-the-shelf hardware, due to the memory-bound nature of vector-symbolic and logical operations, complex flow control, data dependencies, sparsity variations, and limited scalability. Based on profiling insights, we suggest cross-layer optimization solutions and present a hardware acceleration case study for vector-symbolic architecture to improve the performance, efficiency, and scalability of neuro-symbolic computing. Finally, we discuss the challenges and potential future directions of neuro-symbolic AI from both system and architectural perspectives.

On Saturday, a YouTube creator called ChromaLock published a video detailing how he modified a Texas Instruments TI-84 graphing calculator to connect to the internet and access OpenAI's ChatGPT, potentially enabling students to cheat on tests. The video, titled "I Made the Ultimate Cheating Device," demonstrates a custom hardware modification that allows users of the graphing calculator to type in problems sent to ChatGPT using the keypad and receive live responses on the screen. ChromaLock began by exploring the calculator's link port, typically used for transferring educational programs between devices. He then designed a custom circuit board he calls "TI-32" that incorporates a tiny Wi-Fi-enabled microcontroller, the Seed Studio ESP32-C3 (which costs about 5), along with other components to interface with the calculator's systems. This story originally appeared on Ars Technica, a trusted source for technology news, tech policy analysis, reviews, and more.

Angel Cortez was ready for a change. Cortez, 43, is a Mexican immigrant who has worked in agriculture, landscaping and restaurants since he arrived in California more than 25 years ago. But he said a workplace injury nearly a decade ago has made physical labor -- jobs requiring him to stand or walk for long periods -- exceedingly painful. He has been looking to transition into jobs he could do primarily while seated. But his options felt limited: He has a high school education from Mexico, but doesn't speak English fluently and wasn't comfortable using a computer.