Zichao Wang

Zichao Wang, Weili Nie, Zhuoran Qiao et al.

Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods require extensive training/fine-tuning with a large dataset, often unavailable in real-world generation tasks. In this work, we propose a new retrieval-based framework for controllable molecule generation. We use a small set of exemplar molecules, i.e., those that (partially) satisfy the design criteria, to steer the pre-trained generative model towards synthesizing molecules that satisfy the given design criteria. We design a retrieval mechanism that retrieves and fuses the exemplar molecules with the input molecule, which is trained by a new self-supervised objective that predicts the nearest neighbor of the input molecule. We also propose an iterative refinement process to dynamically update the generated molecules and retrieval database for better generalization. Our approach is agnostic to the choice of generative models and requires no task-specific fine-tuning. On various tasks ranging from simple design criteria to a challenging real-world scenario for designing lead compounds that bind to the SARS-CoV-2 main protease, we demonstrate our approach extrapolates well beyond the retrieval database, and achieves better performance and wider applicability than previous methods. Code is available at https://github.com/NVlabs/RetMol.

Nigel Fernandez, Aritra Ghosh, Naiming Liu et al.

Automated scoring of open-ended student responses has the potential to significantly reduce human grader effort. Recent advances in automated scoring often leverage textual representations based on pre-trained language models such as BERT and GPT as input to scoring models. Most existing approaches train a separate model for each item/question, which is suitable for scenarios such as essay scoring where items can be quite different from one another. However, these approaches have two limitations: 1) they fail to leverage item linkage for scenarios such as reading comprehension where multiple items may share a reading passage; 2) they are not scalable since storing one model per item becomes difficult when models have a large number of parameters. In this paper, we report our (grand prize-winning) solution to the National Assessment of Education Progress (NAEP) automated scoring challenge for reading comprehension. Our approach, in-context BERT fine-tuning, produces a single shared scoring model for all items with a carefully-designed input structure to provide contextual information on each item. We demonstrate the effectiveness of our approach via local evaluations using the training dataset provided by the challenge. We also discuss the biases, common error types, and limitations of our approach.

Sicheng Zhu, Ruiyi Zhang, Bang An et al.

Safety alignment of Large Language Models (LLMs) can be compromised with manual jailbreak attacks and (automatic) adversarial attacks. Recent studies suggest that defending against these attacks is possible: adversarial attacks generate unlimited but unreadable gibberish prompts, detectable by perplexity-based filters; manual jailbreak attacks craft readable prompts, but their limited number due to the necessity of human creativity allows for easy blocking. In this paper, we show that these solutions may be too optimistic. We introduce AutoDAN, an interpretable, gradient-based adversarial attack that merges the strengths of both attack types. Guided by the dual goals of jailbreak and readability, AutoDAN optimizes and generates tokens one by one from left to right, resulting in readable prompts that bypass perplexity filters while maintaining high attack success rates. Notably, these prompts, generated from scratch using gradients, are interpretable and diverse, with emerging strategies commonly seen in manual jailbreak attacks. They also generalize to unforeseen harmful behaviors and transfer to black-box LLMs better than their unreadable counterparts when using limited training data or a single proxy model. Furthermore, we show the versatility of AutoDAN by automatically leaking system prompts using a customized objective. Our work offers a new way to red-team LLMs and understand jailbreak mechanisms via interpretability.

Bo Ni, Leyao Wang, Yu Wang et al.

User simulation has long played a vital role in computer science due to its potential to support a wide range of applications. Language, as the primary medium of human communication, forms the foundation of social interaction and behavior. Consequently, simulating conversational behavior has become a key area of study. Recent advancements in large language models (LLMs) have significantly catalyzed progress in this domain by enabling high-fidelity generation of synthetic user conversation. In this paper, we survey recent advancements in LLM-based conversational user simulation. We introduce a novel taxonomy covering user granularity and simulation objectives. Additionally, we systematically analyze core techniques and evaluation methodologies. We aim to keep the research community informed of the latest advancements in conversational user simulation and to further facilitate future research by identifying open challenges and organizing existing work under a unified framework.

Zichao Wang, Richard Baraniuk

We study the new problem of automatic question generation (QG) from multi-modal sources containing images and texts, significantly expanding the scope of most of the existing work that focuses exclusively on QG from only textual sources. We propose a simple solution for our new problem, called MultiQG-TI, which enables a text-only question generator to process visual input in addition to textual input. Specifically, we leverage an image-to-text model and an optical character recognition model to obtain the textual description of the image and extract any texts in the image, respectively, and then feed them together with the input texts to the question generator. We only fine-tune the question generator while keeping the other components fixed. On the challenging ScienceQA dataset, we demonstrate that MultiQG-TI significantly outperforms ChatGPT with few-shot prompting, despite having hundred-times less trainable parameters. Additional analyses empirically confirm the necessity of both visual and textual signals for QG and show the impact of various modeling choices.

Shashank Sonkar, Zichao Wang, Richard G. Baraniuk

This paper investigates the problem of Named Entity Recognition (NER) for extreme low-resource languages with only a few hundred tagged data samples. NER is a fundamental task in Natural Language Processing (NLP). A critical driver accelerating NER systems' progress is the existence of large-scale language corpora that enable NER systems to achieve outstanding performance in languages such as English and French with abundant training data. However, NER for low-resource languages remains relatively unexplored. In this paper, we introduce Mask Augmented Named Entity Recognition (MANER), a new methodology that leverages the distributional hypothesis of pre-trained masked language models (MLMs) for NER. The <mask> token in pre-trained MLMs encodes valuable semantic contextual information. MANER re-purposes the <mask> token for NER prediction. Specifically, we prepend the <mask> token to every word in a sentence for which we would like to predict the named entity tag. During training, we jointly fine-tune the MLM and a new NER prediction head attached to each <mask> token. We demonstrate that MANER is well-suited for NER in low-resource languages; our experiments show that for 100 languages with as few as 100 training examples, it improves on state-of-the-art methods by up to 48% and by 12% on average on F1 score. We also perform detailed analyses and ablation studies to understand the scenarios that are best-suited to MANER.

Xuan Shen, Brian Wingenroth, Zichao Wang et al.

The opioid crisis represents a significant moment in public health that reveals systemic shortcomings across regulatory systems, healthcare practices, corporate governance, and public policy. Analyzing how these interconnected systems simultaneously failed to protect public health requires innovative analytic approaches for exploring the vast amounts of data and documents disclosed in the UCSF-JHU Opioid Industry Documents Archive (OIDA). The complexity, multimodal nature, and specialized characteristics of these healthcare-related legal and corporate documents necessitate more advanced methods and models tailored to specific data types and detailed annotations, ensuring the precision and professionalism in the analysis. In this paper, we tackle this challenge by organizing the original dataset according to document attributes and constructing a benchmark with 400k training documents and 10k for testing. From each document, we extract rich multimodal information-including textual content, visual elements, and layout structures-to capture a comprehensive range of features. Using multiple AI models, we then generate a large-scale dataset comprising 360k training QA pairs and 10k testing QA pairs. Building on this foundation, we develop domain-specific multimodal Large Language Models (LLMs) and explore the impact of multimodal inputs on task performance. To further enhance response accuracy, we incorporate historical QA pairs as contextual grounding for answering current queries. Additionally, we incorporate page references within the answers and introduce an importance-based page classifier, further improving the precision and relevance of the information provided. Preliminary results indicate the improvements with our AI assistant in document information extraction and question-answering tasks. The dataset is available at: https://huggingface.co/datasets/opioidarchive/oida-qa

Mengxue Zhang, Zichao Wang, Zhichao Yang et al.

Solutions to math word problems (MWPs) with step-by-step explanations are valuable, especially in education, to help students better comprehend problem-solving strategies. Most existing approaches only focus on obtaining the final correct answer. A few recent approaches leverage intermediate solution steps to improve final answer correctness but often cannot generate coherent steps with a clear solution strategy. Contrary to existing work, we focus on improving the correctness and coherence of the intermediate solutions steps. We propose a step-by-step planning approach for intermediate solution generation, which strategically plans the generation of the next solution step based on the MWP and the previous solution steps. Our approach first plans the next step by predicting the necessary math operation needed to proceed, given history steps, then generates the next step, token-by-token, by prompting a language model with the predicted math operation. Experiments on the GSM8K dataset demonstrate that our approach improves the accuracy and interpretability of the solution on both automatic metrics and human evaluation.

Nischal Ashok Kumar, Nigel Fernandez, Zichao Wang et al.

Reading comprehension is a crucial skill in many aspects of education, including language learning, cognitive development, and fostering early literacy skills in children. Automated answer-aware reading comprehension question generation has significant potential to scale up learner support in educational activities. One key technical challenge in this setting is that there can be multiple questions, sometimes very different from each other, with the same answer; a trained question generation method may not necessarily know which question human educators would prefer. To address this challenge, we propose 1) a data augmentation method that enriches the training dataset with diverse questions given the same context and answer and 2) an overgenerate-and-rank method to select the best question from a pool of candidates. We evaluate our method on the FairytaleQA dataset, showing a 5% absolute improvement in ROUGE-L over the best existing method. We also demonstrate the effectiveness of our method in generating harder, "implicit" questions, where the answers are not contained in the context as text spans.

Wenbo Gong, Digory Smith, Zichao Wang et al.

In this competition, participants will address two fundamental causal challenges in machine learning in the context of education using time-series data. The first is to identify the causal relationships between different constructs, where a construct is defined as the smallest element of learning. The second challenge is to predict the impact of learning one construct on the ability to answer questions on other constructs. Addressing these challenges will enable optimisation of students' knowledge acquisition, which can be deployed in a real edtech solution impacting millions of students. Participants will run these tasks in an idealised environment with synthetic data and a real-world scenario with evaluation data collected from a series of A/B tests.

Naiming Liu, Shashank Sonkar, Zichao Wang et al.

We propose novel evaluations for mathematical reasoning capabilities of Large Language Models (LLMs) based on mathematical misconceptions. Our primary approach is to simulate LLMs as a novice learner and an expert tutor, aiming to identify the incorrect answer to math question resulted from a specific misconception and to recognize the misconception(s) behind an incorrect answer, respectively. Contrary to traditional LLMs-based mathematical evaluations that focus on answering math questions correctly, our approach takes inspirations from principles in educational learning sciences. We explicitly ask LLMs to mimic a novice learner by answering questions in a specific incorrect manner based on incomplete knowledge; and to mimic an expert tutor by identifying misconception(s) corresponding to an incorrect answer to a question. Using simple grade-school math problems, our experiments reveal that, while LLMs can easily answer these questions correctly, they struggle to identify 1) the incorrect answer corresponding to specific incomplete knowledge (misconceptions); 2) the misconceptions that explain particular incorrect answers. Our study indicates new opportunities for enhancing LLMs' math reasoning capabilities, especially on developing robust student simulation and expert tutoring models in the educational applications such as intelligent tutoring systems.

Li Li, Peilin Cai, Ryan A. Rossi et al.

We present PersonaConvBench, a large-scale benchmark for evaluating personalized reasoning and generation in multi-turn conversations with large language models (LLMs). Unlike existing work that focuses on either personalization or conversational structure in isolation, PersonaConvBench integrates both, offering three core tasks: sentence classification, impact regression, and user-centric text generation across ten diverse Reddit-based domains. This design enables systematic analysis of how personalized conversational context shapes LLM outputs in realistic multi-user scenarios. We benchmark several commercial and open-source LLMs under a unified prompting setup and observe that incorporating personalized history yields substantial performance improvements, including a 198 percent relative gain over the best non-conversational baseline in sentiment classification. By releasing PersonaConvBench with evaluations and code, we aim to support research on LLMs that adapt to individual styles, track long-term context, and produce contextually rich, engaging responses.

Zhehao Zhang, Ryan A. Rossi, Branislav Kveton et al.

Personalization of Large Language Models (LLMs) has recently become increasingly important with a wide range of applications. Despite the importance and recent progress, most existing works on personalized LLMs have focused either entirely on (a) personalized text generation or (b) leveraging LLMs for personalization-related downstream applications, such as recommendation systems. In this work, we bridge the gap between these two separate main directions for the first time by introducing a taxonomy for personalized LLM usage and summarizing the key differences and challenges. We provide a formalization of the foundations of personalized LLMs that consolidates and expands notions of personalization of LLMs, defining and discussing novel facets of personalization, usage, and desiderata of personalized LLMs. We then unify the literature across these diverse fields and usage scenarios by proposing systematic taxonomies for the granularity of personalization, personalization techniques, datasets, evaluation methods, and applications of personalized LLMs. Finally, we highlight challenges and important open problems that remain to be addressed. By unifying and surveying recent research using the proposed taxonomies, we aim to provide a clear guide to the existing literature and different facets of personalization in LLMs, empowering both researchers and practitioners.

Zihao Lin, Samyadeep Basu, Mohammad Beigi et al.

The rise of foundation models has transformed machine learning research, prompting efforts to uncover their inner workings and develop more efficient and reliable applications for better control. While significant progress has been made in interpreting Large Language Models (LLMs), multimodal foundation models (MMFMs) - such as contrastive vision-language models, generative vision-language models, and text-to-image models - pose unique interpretability challenges beyond unimodal frameworks. Despite initial studies, a substantial gap remains between the interpretability of LLMs and MMFMs. This survey explores two key aspects: (1) the adaptation of LLM interpretability methods to multimodal models and (2) understanding the mechanistic differences between unimodal language models and crossmodal systems. By systematically reviewing current MMFM analysis techniques, we propose a structured taxonomy of interpretability methods, compare insights across unimodal and multimodal architectures, and highlight critical research gaps.

Zhehao Zhang, Ryan Rossi, Tong Yu et al.

While vision-language models (VLMs) have demonstrated remarkable performance across various tasks combining textual and visual information, they continue to struggle with fine-grained visual perception tasks that require detailed pixel-level analysis. Effectively eliciting comprehensive reasoning from VLMs on such intricate visual elements remains an open challenge. In this paper, we present VipAct, an agent framework that enhances VLMs by integrating multi-agent collaboration and vision expert models, enabling more precise visual understanding and comprehensive reasoning. VipAct consists of an orchestrator agent, which manages task requirement analysis, planning, and coordination, along with specialized agents that handle specific tasks such as image captioning and vision expert models that provide high-precision perceptual information. This multi-agent approach allows VLMs to better perform fine-grained visual perception tasks by synergizing planning, reasoning, and tool use. We evaluate VipAct on benchmarks featuring a diverse set of visual perception tasks, with experimental results demonstrating significant performance improvements over state-of-the-art baselines across all tasks. Furthermore, comprehensive ablation studies reveal the critical role of multi-agent collaboration in eliciting more detailed System-2 reasoning and highlight the importance of image input for task planning. Additionally, our error analysis identifies patterns of VLMs' inherent limitations in visual perception, providing insights into potential future improvements. VipAct offers a flexible and extensible framework, paving the way for more advanced visual perception systems across various real-world applications.

Yu Xia, Subhojyoti Mukherjee, Zhouhang Xie et al.

Active Learning (AL) has been a powerful paradigm for improving model efficiency and performance by selecting the most informative data points for labeling and training. In recent active learning frameworks, Large Language Models (LLMs) have been employed not only for selection but also for generating entirely new data instances and providing more cost-effective annotations. Motivated by the increasing importance of high-quality data and efficient model training in the era of LLMs, we present a comprehensive survey on LLM-based Active Learning. We introduce an intuitive taxonomy that categorizes these techniques and discuss the transformative roles LLMs can play in the active learning loop. We further examine the impact of AL on LLM learning paradigms and its applications across various domains. Finally, we identify open challenges and propose future research directions. This survey aims to serve as an up-to-date resource for researchers and practitioners seeking to gain an intuitive understanding of LLM-based AL techniques and deploy them to new applications.

Zhendong Chu, Jian Xie, Shen Wang et al.

Education materials for K-12 students often consist of multiple modalities, such as text and images, posing challenges for models to fully understand nuanced information in these materials. In this paper, we propose a unified language and vision assistant UniEDU designed for various educational applications, including knowledge recommendation, knowledge tracing, time cost prediction, and user answer prediction, all within a single model. Unlike conventional task-specific models, UniEDU offers a unified solution that excels across multiple educational tasks while maintaining strong generalization capabilities. Its adaptability makes it well-suited for real-world deployment in diverse learning environments. Furthermore, UniEDU is optimized for industry-scale deployment by significantly reducing computational overhead-achieving approximately a 300\% increase in efficiency-while maintaining competitive performance with minimal degradation compared to fully fine-tuned models. This work represents a significant step toward creating versatile AI systems tailored to the evolving demands of education.

Reuben A. Luera, Ryan Rossi, Franck Dernoncourt et al.

In an ideal design pipeline, user interface (UI) design is intertwined with user research to validate decisions, yet studies are often resource-constrained during early exploration. Recent advances in multimodal large language models (MLLMs) offer a promising opportunity to act as early evaluators, helping designers narrow options before formal testing. Unlike prior work that emphasizes user behavior in narrow domains such as e-commerce with metrics like clicks or conversions, we focus on subjective user evaluations across varied interfaces. We investigate whether MLLMs can mimic human preferences when evaluating individual UIs and comparing them. Using data from a crowdsourcing platform, we benchmark GPT-4o, Claude, and Llama across 30 interfaces and examine alignment with human judgments on multiple UI factors. Our results show that MLLMs approximate human preferences on some dimensions but diverge on others, underscoring both their potential and limitations in supplementing early UX research.

Zichao Wang, Alexa Siu

Large language models (LLMs) have shown strong performance on standardized social science instruments, but their value for product discovery remains unclear. We investigate whether interview-informed generative agents can simulate user responses in concept testing scenarios. Using in-depth workflow interviews with knowledge workers, we created personalized agents and compared their evaluations of novel AI concepts against the same participants' responses. Our results show that agents are distribution-calibrated but identity-imprecise: they fail to replicate the specific individual they are grounded in, yet approximate population-level response distributions. These findings highlight both the potential and the limits of LLM simulation in design research. While unsuitable as a substitute for individual-level insights, simulation may provide value for early-stage concept screening and iteration, where distributional accuracy suffices. We discuss implications for integrating simulation responsibly into product development workflows.

Nigel Fernandez, Branislav Kveton, Ryan A. Rossi et al.

Reasoning language models have demonstrated remarkable performance on many challenging tasks in math, science, and coding. Choosing the right reasoning model for practical deployment involves a performance and cost tradeoff at two key levels: model size and reasoning budget, where larger models and higher reasoning budget lead to better performance but with increased cost and latency. In this work, we tackle this tradeoff from the angle of model configuration routing for different queries, and present RADAR (Reasoning-Ability and Difficulty-Aware Routing), a lightweight, interpretable, and scalable routing framework. Inspired by psychometrics, RADAR learns an item response model from model responses with different budgets to different queries, with interpretable parameters including query difficulties and model-budget abilities. RADAR then routes queries with higher difficulty to model-budget pairs with higher ability, and vice versa. We conduct extensive experiments on 8 widely used challenging reasoning benchmarks, demonstrating the superior performance of RADAR compared to state-of-the-art model routing methods. RADAR also exhibits query generalization capabilities, showing strong performance on out-of-distribution queries in all benchmarks. RADAR is also scalable and can efficiently integrate additional models by dynamically selecting a small set of evaluation queries to estimate their abilities.

Mohammad Beigi, Ying Shen, Parshin Shojaee et al.

Despite the remarkable capabilities of large language models, current training paradigms inadvertently foster \textit{sycophancy}, i.e., the tendency of a model to agree with or reinforce user-provided information even when it's factually incorrect. To address this challenge, we introduce \textbf{SMART} (Sycophancy Mitigation through Adaptive Reasoning Trajectories), which reframes sycophancy as a \textit{reasoning optimization problem} rather than an output alignment issue. SMART is a two-stage framework comprising: (1) Uncertainty-Aware Adaptive Monte Carlo Tree Search (UA-MCTS), which dynamically adjusts model exploration based on state-level uncertainty to collect high-quality, diverse reasoning trajectories alongside both stepwise progress and final outcome rewards; and (2) progress-based reinforcement learning, which fine-tunes the model using the collected trajectories and reward signals to reinforce effective reasoning patterns. Through extensive experiments, we show that SMART significantly reduces sycophantic behavior while preserving strong performance on out-of-distribution inputs and maintaining general capabilities. These results underscore the importance of optimizing internal reasoning mechanisms to build more truthful and aligned AI assistants.

Vishakh Padmakumar, Zichao Wang, David Arbour et al.

While large language models (LLMs) are increasingly capable of handling longer contexts, recent work has demonstrated that they exhibit the "lost in the middle" phenomenon (Liu et al., 2024) of unevenly attending to different parts of the provided context. This hinders their ability to cover diverse source material in multi-document summarization, as noted in the DiverseSumm benchmark (Huang et al., 2024). In this work, we contend that principled content selection is a simple way to increase source coverage on this task. As opposed to prompting an LLM to perform the summarization in a single step, we explicitly divide the task into three steps -- (1) reducing document collections to atomic key points, (2) using determinantal point processes (DPP) to perform select key points that prioritize diverse content, and (3) rewriting to the final summary. By combining prompting steps, for extraction and rewriting, with principled techniques, for content selection, we consistently improve source coverage on the DiverseSumm benchmark across various LLMs. Finally, we also show that by incorporating relevance to a provided user intent into the DPP kernel, we can generate personalized summaries that cover relevant source information while retaining coverage.

Samyadeep Basu, Vlad Morariu, Zichao Wang et al.

Large language models are increasingly used to process documents and facilitate question-answering on them. In our paper, we extract mechanistic circuits for this real-world language modeling task: context-augmented language modeling for extractive question-answering (QA) tasks and understand the potential benefits of circuits towards downstream applications such as data attribution to context information. We extract circuits as a function of internal model components (e.g., attention heads, MLPs) using causal mediation analysis techniques. Leveraging the extracted circuits, we first understand the interplay between the model's usage of parametric memory and retrieved context towards a better mechanistic understanding of context-augmented language models. We then identify a small set of attention heads in our circuit which performs reliable data attribution by default, thereby obtaining attribution for free in just the model's forward pass. Using this insight, we then introduce ATTNATTRIB, a fast data attribution algorithm which obtains state-of-the-art attribution results across various extractive QA benchmarks. Finally, we show the possibility to steer the language model towards answering from the context, instead of the parametric memory by using the attribution from ATTNATTRIB as an additional signal during the forward pass. Beyond mechanistic understanding, our paper provides tangible applications of circuits in the form of reliable data attribution and model steering.

Zihao Lin, Zichao Wang, Yuanting Pan et al.

Suggested questions (SQs) provide an effective initial interface for users to engage with their documents in AI-powered reading applications. In practical reading sessions, users have diverse backgrounds and reading goals, yet current SQ features typically ignore such user information, resulting in homogeneous or ineffective questions. We introduce a pipeline that generates personalized SQs by incorporating reader profiles (professions and reading goals) and demonstrate its utility in two ways: 1) as an improved SQ generation pipeline that produces higher quality and more diverse questions compared to current baselines, and 2) as a data generator to fine-tune extremely small models that perform competitively with much larger models on SQ generation. Our approach can not only serve as a drop-in replacement in current SQ systems to immediately improve their performance but also help develop on-device SQ models that can run locally to deliver fast and private SQ experience.

Naiming Liu, Zichao Wang, Richard Baraniuk

Despite rapid advancements in large language models (LLMs), QG remains a challenging problem due to its complicated process, open-ended nature, and the diverse settings in which question generation occurs. A common approach to address these challenges involves fine-tuning smaller, custom models using datasets containing background context, question, and answer. However, obtaining suitable domain-specific datasets with appropriate context is often more difficult than acquiring question-answer pairs. In this paper, we investigate training QG models using synthetic contexts generated by LLMs from readily available question-answer pairs. We conduct a comprehensive study to answer critical research questions related to the performance of models trained on synthetic contexts and their potential impact on QG research and applications. Our empirical results reveal: 1) contexts are essential for QG tasks, even if they are synthetic; 2) fine-tuning smaller language models has the capability of achieving better performances as compared to prompting larger language models; and 3) synthetic context and real context could achieve comparable performances. These findings highlight the effectiveness of synthetic contexts in QG and paves the way for future advancements in the field.

Yufan Zhou, Ruiyi Zhang, Kaizhi Zheng et al.

In subject-driven text-to-image generation, recent works have achieved superior performance by training the model on synthetic datasets containing numerous image pairs. Trained on these datasets, generative models can produce text-aligned images for specific subject from arbitrary testing image in a zero-shot manner. They even outperform methods which require additional fine-tuning on testing images. However, the cost of creating such datasets is prohibitive for most researchers. To generate a single training pair, current methods fine-tune a pre-trained text-to-image model on the subject image to capture fine-grained details, then use the fine-tuned model to create images for the same subject based on creative text prompts. Consequently, constructing a large-scale dataset with millions of subjects can require hundreds of thousands of GPU hours. To tackle this problem, we propose Toffee, an efficient method to construct datasets for subject-driven editing and generation. Specifically, our dataset construction does not need any subject-level fine-tuning. After pre-training two generative models, we are able to generate infinite number of high-quality samples. We construct the first large-scale dataset for subject-driven image editing and generation, which contains 5 million image pairs, text prompts, and masks. Our dataset is 5 times the size of previous largest dataset, yet our cost is tens of thousands of GPU hours lower. To test the proposed dataset, we also propose a model which is capable of both subject-driven image editing and generation. By simply training the model on our proposed dataset, it obtains competitive results, illustrating the effectiveness of the proposed dataset construction framework.

Naiming Liu, Zichao Wang, Richard G. Baraniuk et al.

In education applications, knowledge tracing refers to the problem of estimating students' time-varying concept/skill mastery level from their past responses to questions and predicting their future performance. One key limitation of most existing knowledge tracing methods is that they treat student responses to questions as binary-valued, i.e., whether they are correct or incorrect. Response correctness analysis/prediction ignores important information on student knowledge contained in the exact content of the responses, especially for open-ended questions. In this paper, we conduct the first exploration into open-ended knowledge tracing (OKT) by studying the new task of predicting students' exact open-ended responses to questions. Our work is grounded in the domain of computer science education with programming questions. We develop an initial solution to the OKT problem, a student knowledge-guided code generation approach, that combines program synthesis methods using language models with student knowledge tracing methods. We also conduct a series of quantitative and qualitative experiments on a real-world student code dataset to validate OKT and demonstrate its promise in educational applications.

Zichao Wang, Andrew S. Lan, Richard G. Baraniuk

We study the problem of generating arithmetic math word problems (MWPs) given a math equation that specifies the mathematical computation and a context that specifies the problem scenario. Existing approaches are prone to generating MWPs that are either mathematically invalid or have unsatisfactory language quality. They also either ignore the context or require manual specification of a problem template, which compromises the diversity of the generated MWPs. In this paper, we develop a novel MWP generation approach that leverages i) pre-trained language models and a context keyword selection model to improve the language quality of the generated MWPs and ii) an equation consistency constraint for math equations to improve the mathematical validity of the generated MWPs. Extensive quantitative and qualitative experiments on three real-world MWP datasets demonstrate the superior performance of our approach compared to various baselines.

Mengxue Zhang, Zichao Wang, Richard Baraniuk et al.

Feedback on student answers and even during intermediate steps in their solutions to open-ended questions is an important element in math education. Such feedback can help students correct their errors and ultimately lead to improved learning outcomes. Most existing approaches for automated student solution analysis and feedback require manually constructing cognitive models and anticipating student errors for each question. This process requires significant human effort and does not scale to most questions used in homework and practices that do not come with this information. In this paper, we analyze students' step-by-step solution processes to equation solving questions in an attempt to scale up error diagnostics and feedback mechanisms developed for a small number of questions to a much larger number of questions. Leveraging a recent math expression encoding method, we represent each math operation applied in solution steps as a transition in the math embedding vector space. We use a dataset that contains student solution steps in the Cognitive Tutor system to learn implicit and explicit representations of math operations. We explore whether these representations can i) identify math operations a student intends to perform in each solution step, regardless of whether they did it correctly or not, and ii) select the appropriate feedback type for incorrect steps. Experimental results show that our learned math operation representations generalize well across different data distributions.

Zichao Wang, Angus Lamb, Evgeny Saveliev et al.

This competition concerns educational diagnostic questions, which are pedagogically effective, multiple-choice questions (MCQs) whose distractors embody misconceptions. With a large and ever-increasing number of such questions, it becomes overwhelming for teachers to know which questions are the best ones to use for their students. We thus seek to answer the following question: how can we use data on hundreds of millions of answers to MCQs to drive automatic personalized learning in large-scale learning scenarios where manual personalization is infeasible? Success in using MCQ data at scale helps build more intelligent, personalized learning platforms that ultimately improve the quality of education en masse. To this end, we introduce a new, large-scale, real-world dataset and formulate 4 data mining tasks on MCQs that mimic real learning scenarios and target various aspects of the above question in a competition setting at NeurIPS 2020. We report on our NeurIPS competition in which nearly 400 teams submitted approximately 4000 submissions, with encouragingly diverse and effective approaches to each of our tasks.

Sina Alemohammad, Randall Balestriero, Zichao Wang et al.

Kernels derived from deep neural networks (DNNs) in the infinite-width regime provide not only high performance in a range of machine learning tasks but also new theoretical insights into DNN training dynamics and generalization. In this paper, we extend the family of kernels associated with recurrent neural networks (RNNs), which were previously derived only for simple RNNs, to more complex architectures including bidirectional RNNs and RNNs with average pooling. We also develop a fast GPU implementation to exploit the full practical potential of the kernels. Though RNNs are typically only applied to time-series data, we demonstrate that classifiers using RNN-based kernels outperform a range of baseline methods on 90 non-time-series datasets from the UCI data repository.

Sina Alemohammad, Hossein Babaei, Randall Balestriero et al.

High dimensionality poses many challenges to the use of data, from visualization and interpretation, to prediction and storage for historical preservation. Techniques abound to reduce the dimensionality of fixed-length sequences, yet these methods rarely generalize to variable-length sequences. To address this gap, we extend existing methods that rely on the use of kernels to variable-length sequences via use of the Recurrent Neural Tangent Kernel (RNTK). Since a deep neural network with ReLu activation is a Max-Affine Spline Operator (MASO), we dub our approach Max-Affine Spline Kernel (MASK). We demonstrate how MASK can be used to extend principal components analysis (PCA) and t-distributed stochastic neighbor embedding (t-SNE) and apply these new algorithms to separate synthetic time series data sampled from second-order differential equations.

Zichao Wang, Angus Lamb, Evgeny Saveliev et al.

Digital technologies are becoming increasingly prevalent in education, enabling personalized, high quality education resources to be accessible by students across the world. Importantly, among these resources are diagnostic questions: the answers that the students give to these questions reveal key information about the specific nature of misconceptions that the students may hold. Analyzing the massive quantities of data stemming from students' interactions with these diagnostic questions can help us more accurately understand the students' learning status and thus allow us to automate learning curriculum recommendations. In this competition, participants will focus on the students' answer records to these multiple-choice diagnostic questions, with the aim of 1) accurately predicting which answers the students provide; 2) accurately predicting which questions have high quality; and 3) determining a personalized sequence of questions for each student that best predicts the student's answers. These tasks closely mimic the goals of a real-world educational platform and are highly representative of the educational challenges faced today. We provide over 20 million examples of students' answers to mathematics questions from Eedi, a leading educational platform which thousands of students interact with daily around the globe. Participants to this competition have a chance to make a lasting, real-world impact on the quality of personalized education for millions of students across the world.

Sina Alemohammad, Zichao Wang, Randall Balestriero et al.

The study of deep neural networks (DNNs) in the infinite-width limit, via the so-called neural tangent kernel (NTK) approach, has provided new insights into the dynamics of learning, generalization, and the impact of initialization. One key DNN architecture remains to be kernelized, namely, the recurrent neural network (RNN). In this paper we introduce and study the Recurrent Neural Tangent Kernel (RNTK), which provides new insights into the behavior of overparametrized RNNs. A key property of the RNTK should greatly benefit practitioners is its ability to compare inputs of different length. To this end, we characterize how the RNTK weights different time steps to form its output under different initialization parameters and nonlinearity choices. A synthetic and 56 real-world data experiments demonstrate that the RNTK offers significant performance gains over other kernels, including standard NTKs, across a wide array of data sets.

Weili Nie, Zichao Wang, Ankit B. Patel et al.

Learning interpretable and disentangled representations is a crucial yet challenging task in representation learning. In this work, we focus on semi-supervised disentanglement learning and extend work by Locatello et al. (2019) by introducing another source of supervision that we denote as label replacement. Specifically, during training, we replace the inferred representation associated with a data point with its ground-truth representation whenever it is available. Our extension is theoretically inspired by our proposed general framework of semi-supervised disentanglement learning in the context of VAEs which naturally motivates the supervised terms commonly used in existing semi-supervised VAEs (but not for disentanglement learning). Extensive experiments on synthetic and real datasets demonstrate both quantitatively and qualitatively the ability of our extension to significantly and consistently improve disentanglement with very limited supervision.

Zichao Wang, Yi Gu, Andrew Lan et al.

We propose VarFA, a variational inference factor analysis framework that extends existing factor analysis models for educational data mining to efficiently output uncertainty estimation in the model's estimated factors. Such uncertainty information is useful, for example, for an adaptive testing scenario, where additional tests can be administered if the model is not quite certain about a students' skill level estimation. Traditional Bayesian inference methods that produce such uncertainty information are computationally expensive and do not scale to large data sets. VarFA utilizes variational inference which makes it possible to efficiently perform Bayesian inference even on very large data sets. We use the sparse factor analysis model as a case study and demonstrate the efficacy of VarFA on both synthetic and real data sets. VarFA is also very general and can be applied to a wide array of factor analysis models.

Zichao Wang, Sebastian Tschiatschek, Simon Woodhead et al.

Online education platforms enable teachers to share a large number of educational resources such as questions to form exercises and quizzes for students. With large volumes of available questions, it is important to have an automated way to quantify their properties and intelligently select them for students, enabling effective and personalized learning experiences. In this work, we propose a framework for mining insights from educational questions at scale. We utilize the state-of-the-art Bayesian deep learning method, in particular partial variational auto-encoders (p-VAE), to analyze real students' answers to a large collection of questions. Based on p-VAE, we propose two novel metrics that quantify question quality and difficulty, respectively, and a personalized strategy to adaptively select questions for students. We apply our proposed framework to a real-world dataset with tens of thousands of questions and tens of millions of answers from an online education platform. Our framework not only demonstrates promising results in terms of statistical metrics but also obtains highly consistent results with domain experts' evaluation.