POINT$^{2}$: A Polymer Informatics Training and Testing Database

The advancement of polymer informatics has been significantly propelled by the integration of machine learning (ML) techniques, enabling the rapid prediction of polymer properties and expediting the discovery of high-performance polymeric materials. However, the field lacks a standardized workflow that encompasses prediction accuracy, uncertainty quantification, ML interpretability, and polymer synthesizability. In this study, we introduce POINT$^{2}$ (POlymer INformatics Training and Testing), a comprehensive benchmark database and protocol designed to address these critical challenges. Leveraging the existing labeled datasets and the unlabeled PI1M dataset, a collection of approximately one million virtual polymers generated via a recurrent neural network trained on the realistic polymers, we develop an ensemble of ML models, including Quantile Random Forests, Multilayer Perceptrons with dropout, Graph Neural Networks, and pretrained large language models. These models are coupled with diverse polymer representations such as Morgan, MACCS, RDKit, Topological, Atom Pair fingerprints, and graph-based descriptors to achieve property predictions, uncertainty estimations, model interpretability, and template-based polymerization synthesizability across a spectrum of properties, including gas permeability, thermal conductivity, glass transition temperature, melting temperature, fractional free volume, and density. The POINT$^{2}$ database can serve as a valuable resource for the polymer informatics community for polymer discovery and optimization.

Optimizing Decomposition for Optimal Claim Verification

Current research on the \textit{Decompose-Then-Verify} paradigm for evaluating the factuality of long-form text typically treats decomposition and verification in isolation, overlooking their interactions and potential misalignment. We find that existing decomposition policies, typically hand-crafted demonstrations, do not align well with downstream verifiers in terms of atomicity -- a novel metric quantifying information density -- leading to suboptimal verification results. We formulate finding the optimal decomposition policy for optimal verification as a bilevel optimization problem. To approximate a solution for this strongly NP-hard problem, we propose dynamic decomposition, a reinforcement learning framework that leverages verifier feedback to learn a policy for dynamically decomposing claims to verifier-preferred atomicity. Experimental results show that dynamic decomposition outperforms existing decomposition policies, improving verification confidence by 0.07 and accuracy by 0.12 (on a 0-1 scale) on average across varying verifiers, datasets, and atomcities of input claims.

QG-SMS: Enhancing Test Item Analysis via Student Modeling and Simulation

While the Question Generation (QG) task has been increasingly adopted in educational assessments, its evaluation remains limited by approaches that lack a clear connection to the educational values of test items. In this work, we introduce test item analysis, a method frequently used by educators to assess test question quality, into QG evaluation. Specifically, we construct pairs of candidate questions that differ in quality across dimensions such as topic coverage, item difficulty, item discrimination, and distractor efficiency. We then examine whether existing QG evaluation approaches can effectively distinguish these differences. Our findings reveal significant shortcomings in these approaches with respect to accurately assessing test item quality in relation to student performance. To address this gap, we propose a novel QG evaluation framework, QG-SMS, which leverages Large Language Model for Student Modeling and Simulation to perform test item analysis. As demonstrated in our extensive experiments and human evaluation study, the additional perspectives introduced by the simulated student profiles lead to a more effective and robust assessment of test items.

END: Early Noise Dropping for Efficient and Effective Context Denoising

Large Language Models (LLMs) have demonstrated remarkable performance across a wide range of natural language processing tasks. However, they are often distracted by irrelevant or noisy context in input sequences that degrades output quality. This problem affects both long- and short-context scenarios, such as retrieval-augmented generation, table question-answering, and in-context learning. We reveal that LLMs can implicitly identify whether input sequences contain useful information at early layers, prior to token generation. Leveraging this insight, we introduce Early Noise Dropping (\textsc{END}), a novel approach to mitigate this issue without requiring fine-tuning the LLMs. \textsc{END} segments input sequences into chunks and employs a linear prober on the early layers of LLMs to differentiate between informative and noisy chunks. By discarding noisy chunks early in the process, \textsc{END} preserves critical information, reduces distraction, and lowers computational overhead. Extensive experiments demonstrate that \textsc{END} significantly improves both performance and efficiency across different LLMs on multiple evaluation datasets. Furthermore, by investigating LLMs' implicit understanding to the input with the prober, this work also deepens understanding of how LLMs do reasoning with contexts internally.

Modality-Aware Neuron Pruning for Unlearning in Multimodal Large Language Models

Generative models such as Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) trained on massive datasets can lead them to memorize and inadvertently reveal sensitive information, raising ethical and privacy concerns. While some prior works have explored this issue in the context of LLMs, it presents a unique challenge for MLLMs due to the entangled nature of knowledge across modalities, making comprehensive unlearning more difficult. To address this challenge, we propose Modality Aware Neuron Unlearning (MANU), a novel unlearning framework for MLLMs designed to selectively clip neurons based on their relative importance to the targeted forget data, curated for different modalities. Specifically, MANU consists of two stages: important neuron selection and selective pruning. The first stage identifies and collects the most influential neurons across modalities relative to the targeted forget knowledge, while the second stage is dedicated to pruning those selected neurons. MANU effectively isolates and removes the neurons that contribute most to the forget data within each modality, while preserving the integrity of retained knowledge. Our experiments conducted across various MLLM architectures illustrate that MANU can achieve a more balanced and comprehensive unlearning in each modality without largely affecting the overall model utility.

IHEval: Evaluating Language Models on Following the Instruction Hierarchy

The instruction hierarchy, which establishes a priority order from system messages to user messages, conversation history, and tool outputs, is essential for ensuring consistent and safe behavior in language models (LMs). Despite its importance, this topic receives limited attention, and there is a lack of comprehensive benchmarks for evaluating models' ability to follow the instruction hierarchy. We bridge this gap by introducing IHEval, a novel benchmark comprising 3,538 examples across nine tasks, covering cases where instructions in different priorities either align or conflict. Our evaluation of popular LMs highlights their struggle to recognize instruction priorities. All evaluated models experience a sharp performance decline when facing conflicting instructions, compared to their original instruction-following performance. Moreover, the most competitive open-source model only achieves 48% accuracy in resolving such conflicts. Our results underscore the need for targeted optimization in the future development of LMs.

Towards Trustworthy Retrieval Augmented Generation for Large Language Models: A Survey

Retrieval-Augmented Generation (RAG) is an advanced technique designed to address the challenges of Artificial Intelligence-Generated Content (AIGC). By integrating context retrieval into content generation, RAG provides reliable and up-to-date external knowledge, reduces hallucinations, and ensures relevant context across a wide range of tasks. However, despite RAG's success and potential, recent studies have shown that the RAG paradigm also introduces new risks, including robustness issues, privacy concerns, adversarial attacks, and accountability issues. Addressing these risks is critical for future applications of RAG systems, as they directly impact their trustworthiness. Although various methods have been developed to improve the trustworthiness of RAG methods, there is a lack of a unified perspective and framework for research in this topic. Thus, in this paper, we aim to address this gap by providing a comprehensive roadmap for developing trustworthy RAG systems. We place our discussion around five key perspectives: reliability, privacy, safety, fairness, explainability, and accountability. For each perspective, we present a general framework and taxonomy, offering a structured approach to understanding the current challenges, evaluating existing solutions, and identifying promising future research directions. To encourage broader adoption and innovation, we also highlight the downstream applications where trustworthy RAG systems have a significant impact.

CLIPErase: Efficient Unlearning of Visual-Textual Associations in CLIP

Machine unlearning (MU) has gained significant attention as a means to remove specific data from trained models without requiring a full retraining process. While progress has been made in unimodal domains like text and image classification, unlearning in multimodal models remains relatively underexplored. In this work, we address the unique challenges of unlearning in CLIP, a prominent multimodal model that aligns visual and textual representations. We introduce CLIPErase, a novel approach that disentangles and selectively forgets both visual and textual associations, ensuring that unlearning does not compromise model performance. CLIPErase consists of three key modules: a Forgetting Module that disrupts the associations in the forget set, a Retention Module that preserves performance on the retain set, and a Consistency Module that maintains consistency with the original model. Extensive experiments on the CIFAR-100 and Flickr30K datasets across four CLIP downstream tasks demonstrate that CLIPErase effectively forgets designated associations in zero-shot tasks for multimodal samples, while preserving the model's performance on the retain set after unlearning.

Protecting Privacy in Multimodal Large Language Models with MLLMU-Bench

Generative models such as Large Language Models (LLM) and Multimodal Large Language models (MLLMs) trained on massive web corpora can memorize and disclose individuals' confidential and private data, raising legal and ethical concerns. While many previous works have addressed this issue in LLM via machine unlearning, it remains largely unexplored for MLLMs. To tackle this challenge, we introduce Multimodal Large Language Model Unlearning Benchmark (MLLMU-Bench), a novel benchmark aimed at advancing the understanding of multimodal machine unlearning. MLLMU-Bench consists of 500 fictitious profiles and 153 profiles for public celebrities, each profile feature over 14 customized question-answer pairs, evaluated from both multimodal (image+text) and unimodal (text) perspectives. The benchmark is divided into four sets to assess unlearning algorithms in terms of efficacy, generalizability, and model utility. Finally, we provide baseline results using existing generative model unlearning algorithms. Surprisingly, our experiments show that unimodal unlearning algorithms excel in generation and cloze tasks, while multimodal unlearning approaches perform better in classification tasks with multimodal inputs.

Shopping MMLU: A Massive Multi-Task Online Shopping Benchmark for Large Language Models

Online shopping is a complex multi-task, few-shot learning problem with a wide and evolving range of entities, relations, and tasks. However, existing models and benchmarks are commonly tailored to specific tasks, falling short of capturing the full complexity of online shopping. Large Language Models (LLMs), with their multi-task and few-shot learning abilities, have the potential to profoundly transform online shopping by alleviating task-specific engineering efforts and by providing users with interactive conversations. Despite the potential, LLMs face unique challenges in online shopping, such as domain-specific concepts, implicit knowledge, and heterogeneous user behaviors. Motivated by the potential and challenges, we propose Shopping MMLU, a diverse multi-task online shopping benchmark derived from real-world Amazon data. Shopping MMLU consists of 57 tasks covering 4 major shopping skills: concept understanding, knowledge reasoning, user behavior alignment, and multi-linguality, and can thus comprehensively evaluate the abilities of LLMs as general shop assistants. With Shopping MMLU, we benchmark over 20 existing LLMs and uncover valuable insights about practices and prospects of building versatile LLM-based shop assistants. Shopping MMLU can be publicly accessed at https://github.com/KL4805/ShoppingMMLU. In addition, with Shopping MMLU, we host a competition in KDD Cup 2024 with over 500 participating teams. The winning solutions and the associated workshop can be accessed at our website https://amazon-kddcup24.github.io/.