Andrew Wang

CL
h-index85
38papers
1,172citations
Novelty46%
AI Score56

38 Papers

AISep 25, 2023
Identifying the Risks of LM Agents with an LM-Emulated Sandbox

Yangjun Ruan, Honghua Dong, Andrew Wang et al. · deepmind, utoronto

Recent advances in Language Model (LM) agents and tool use, exemplified by applications like ChatGPT Plugins, enable a rich set of capabilities but also amplify potential risks - such as leaking private data or causing financial losses. Identifying these risks is labor-intensive, necessitating implementing the tools, setting up the environment for each test scenario manually, and finding risky cases. As tools and agents become more complex, the high cost of testing these agents will make it increasingly difficult to find high-stakes, long-tailed risks. To address these challenges, we introduce ToolEmu: a framework that uses an LM to emulate tool execution and enables the testing of LM agents against a diverse range of tools and scenarios, without manual instantiation. Alongside the emulator, we develop an LM-based automatic safety evaluator that examines agent failures and quantifies associated risks. We test both the tool emulator and evaluator through human evaluation and find that 68.8% of failures identified with ToolEmu would be valid real-world agent failures. Using our curated initial benchmark consisting of 36 high-stakes tools and 144 test cases, we provide a quantitative risk analysis of current LM agents and identify numerous failures with potentially severe outcomes. Notably, even the safest LM agent exhibits such failures 23.9% of the time according to our evaluator, underscoring the need to develop safer LM agents for real-world deployment.

CVNov 23, 2022
Learning to Imitate Object Interactions from Internet Videos

Austin Patel, Andrew Wang, Ilija Radosavovic et al.

We study the problem of imitating object interactions from Internet videos. This requires understanding the hand-object interactions in 4D, spatially in 3D and over time, which is challenging due to mutual hand-object occlusions. In this paper we make two main contributions: (1) a novel reconstruction technique RHOV (Reconstructing Hands and Objects from Videos), which reconstructs 4D trajectories of both the hand and the object using 2D image cues and temporal smoothness constraints; (2) a system for imitating object interactions in a physics simulator with reinforcement learning. We apply our reconstruction technique to 100 challenging Internet videos. We further show that we can successfully imitate a range of different object interactions in a physics simulator. Our object-centric approach is not limited to human-like end-effectors and can learn to imitate object interactions using different embodiments, like a robotic arm with a parallel jaw gripper.

CLApr 12, 2023
Boosted Prompt Ensembles for Large Language Models

Silviu Pitis, Michael R. Zhang, Andrew Wang et al.

Methods such as chain-of-thought prompting and self-consistency have pushed the frontier of language model reasoning performance with no additional training. To further improve performance, we propose a prompt ensembling method for large language models, which uses a small dataset to construct a set of few shot prompts that together comprise a ``boosted prompt ensemble''. The few shot examples for each prompt are chosen in a stepwise fashion to be ``hard'' examples on which the previous step's ensemble is uncertain. We show that this outperforms single-prompt output-space ensembles and bagged prompt-space ensembles on the GSM8k and AQuA datasets, among others. We propose both train-time and test-time versions of boosted prompting that use different levels of available annotation and conduct a detailed empirical study of our algorithm.

LGNov 25, 2022
Operator Splitting Value Iteration

Amin Rakhsha, Andrew Wang, Mohammad Ghavamzadeh et al.

We introduce new planning and reinforcement learning algorithms for discounted MDPs that utilize an approximate model of the environment to accelerate the convergence of the value function. Inspired by the splitting approach in numerical linear algebra, we introduce Operator Splitting Value Iteration (OS-VI) for both Policy Evaluation and Control problems. OS-VI achieves a much faster convergence rate when the model is accurate enough. We also introduce a sample-based version of the algorithm called OS-Dyna. Unlike the traditional Dyna architecture, OS-Dyna still converges to the correct value function in presence of model approximation error.

CLDec 11, 2025
The FACTS Leaderboard: A Comprehensive Benchmark for Large Language Model Factuality

Aileen Cheng, Alon Jacovi, Amir Globerson et al.

We introduce The FACTS Leaderboard, an online leaderboard suite and associated set of benchmarks that comprehensively evaluates the ability of language models to generate factually accurate text across diverse scenarios. The suite provides a holistic measure of factuality by aggregating the performance of models on four distinct sub-leaderboards: (1) FACTS Multimodal, which measures the factuality of responses to image-based questions; (2) FACTS Parametric, which assesses models' world knowledge by answering closed-book factoid questions from internal parameters; (3) FACTS Search, which evaluates factuality in information-seeking scenarios, where the model must use a search API; and (4) FACTS Grounding (v2), which evaluates whether long-form responses are grounded in provided documents, featuring significantly improved judge models. Each sub-leaderboard employs automated judge models to score model responses, and the final suite score is an average of the four components, designed to provide a robust and balanced assessment of a model's overall factuality. The FACTS Leaderboard Suite will be actively maintained, containing both public and private splits to allow for external participation while guarding its integrity. It can be found at https://www.kaggle.com/benchmarks/google/facts .

CLAug 22, 2023
Can Authorship Representation Learning Capture Stylistic Features?

Andrew Wang, Cristina Aggazzotti, Rebecca Kotula et al.

Automatically disentangling an author's style from the content of their writing is a longstanding and possibly insurmountable problem in computational linguistics. At the same time, the availability of large text corpora furnished with author labels has recently enabled learning authorship representations in a purely data-driven manner for authorship attribution, a task that ostensibly depends to a greater extent on encoding writing style than encoding content. However, success on this surrogate task does not ensure that such representations capture writing style since authorship could also be correlated with other latent variables, such as topic. In an effort to better understand the nature of the information these representations convey, and specifically to validate the hypothesis that they chiefly encode writing style, we systematically probe these representations through a series of targeted experiments. The results of these experiments suggest that representations learned for the surrogate authorship prediction task are indeed sensitive to writing style. As a consequence, authorship representations may be expected to be robust to certain kinds of data shift, such as topic drift over time. Additionally, our findings may open the door to downstream applications that require stylistic representations, such as style transfer.

CHEM-PHFeb 4
El Agente Quntur: A research collaborator agent for quantum chemistry

Juan B. Pérez-Sánchez, Yunheng Zou, Jorge A. Campos-Gonzalez-Angulo et al.

Quantum chemistry is a foundational enabling tool for the fields of chemistry, materials science, computational biology and others. Despite of its power, the practical application of quantum chemistry simulations remains in the hands of qualified experts due to methodological complexity, software heterogeneity, and the need for informed interpretation of results. To bridge the accessibility gap for these tools and expand their reach to chemists with broader backgrounds, we introduce El Agente Quntur, a hierarchical, multi-agent AI system designed to operate not merely as an automation tool but as a research collaborator for computational quantum chemistry. Quntur was designed following three main strategies: i) elimination of hard-coded procedural policies in favour of reasoning-driven decisions, ii) construction of general and composable actions that facilitate generalization and efficiency, and iii) implementation of guided deep research to integrate abstract quantum-chemical reasoning across subdisciplines and a detailed understanding of the software's internal logic and syntax. Although instantiated in ORCA, these design principles are applicable to research agents more generally and easily expandable to additional quantum chemistry packages and beyond. Quntur supports the full range of calculations available in ORCA 6.0 and reasons over software documentation and scientific literature to plan, execute, adapt, and analyze in silico chemistry experiments following best practices. We discuss the advances and current bottlenecks in agentic systems operating at the research level in computational chemistry, and outline a roadmap toward a fully autonomous end-to-end computational chemistry research agent.

LGSep 26, 2022
Material Prediction for Design Automation Using Graph Representation Learning

Shijie Bian, Daniele Grandi, Kaveh Hassani et al.

Successful material selection is critical in designing and manufacturing products for design automation. Designers leverage their knowledge and experience to create high-quality designs by selecting the most appropriate materials through performance, manufacturability, and sustainability evaluation. Intelligent tools can help designers with varying expertise by providing recommendations learned from prior designs. To enable this, we introduce a graph representation learning framework that supports the material prediction of bodies in assemblies. We formulate the material selection task as a node-level prediction task over the assembly graph representation of CAD models and tackle it using Graph Neural Networks (GNNs). Evaluations over three experimental protocols performed on the Fusion 360 Gallery dataset indicate the feasibility of our approach, achieving a 0.75 top-3 micro-f1 score. The proposed framework can scale to large datasets and incorporate designers' knowledge into the learning process. These capabilities allow the framework to serve as a recommendation system for design automation and a baseline for future work, narrowing the gap between human designers and intelligent design agents.

CLMay 2, 2025Code
Llama-Nemotron: Efficient Reasoning Models

Akhiad Bercovich, Itay Levy, Izik Golan et al. · nvidia

We introduce the Llama-Nemotron series of models, an open family of heterogeneous reasoning models that deliver exceptional reasoning capabilities, inference efficiency, and an open license for enterprise use. The family comes in three sizes -- Nano (8B), Super (49B), and Ultra (253B) -- and performs competitively with state-of-the-art reasoning models such as DeepSeek-R1 while offering superior inference throughput and memory efficiency. In this report, we discuss the training procedure for these models, which entails using neural architecture search from Llama 3 models for accelerated inference, knowledge distillation, and continued pretraining, followed by a reasoning-focused post-training stage consisting of two main parts: supervised fine-tuning and large scale reinforcement learning. Llama-Nemotron models are the first open-source models to support a dynamic reasoning toggle, allowing users to switch between standard chat and reasoning modes during inference. To further support open research and facilitate model development, we provide the following resources: 1. We release the Llama-Nemotron reasoning models -- LN-Nano, LN-Super, and LN-Ultra -- under the commercially permissive NVIDIA Open Model License Agreement. 2. We release the complete post-training dataset: Llama-Nemotron-Post-Training-Dataset. 3. We also release our training codebases: NeMo, NeMo-Aligner, and Megatron-LM.

CVAug 18, 2022
Shadows Aren't So Dangerous After All: A Fast and Robust Defense Against Shadow-Based Adversarial Attacks

Andrew Wang, Wyatt Mayor, Ryan Smith et al.

Robust classification is essential in tasks like autonomous vehicle sign recognition, where the downsides of misclassification can be grave. Adversarial attacks threaten the robustness of neural network classifiers, causing them to consistently and confidently misidentify road signs. One such class of attack, shadow-based attacks, causes misidentifications by applying a natural-looking shadow to input images, resulting in road signs that appear natural to a human observer but confusing for these classifiers. Current defenses against such attacks use a simple adversarial training procedure to achieve a rather low 25\% and 40\% robustness on the GTSRB and LISA test sets, respectively. In this paper, we propose a robust, fast, and generalizable method, designed to defend against shadow attacks in the context of road sign recognition, that augments source images with binary adaptive threshold and edge maps. We empirically show its robustness against shadow attacks, and reformulate the problem to show its similarity to $\varepsilon$ perturbation-based attacks. Experimental results show that our edge defense results in 78\% robustness while maintaining 98\% benign test accuracy on the GTSRB test set, with similar results from our threshold defense. Link to our code is in the paper.

LGApr 20
Handling and Interpreting Missing Modalities in Patient Clinical Trajectories via Autoregressive Sequence Modeling

Andrew Wang, Ellie Pavlick, Ritambhara Singh

An active challenge in developing multimodal machine learning (ML) models for healthcare is handling missing modalities during training and deployment. As clinical datasets are inherently temporal and sparse in terms of modality presence, capturing the underlying predictive signal via diagnostic multimodal ML models while retaining model explainability remains an ongoing challenge. In this work, we address this by re-framing clinical diagnosis as an autoregressive sequence modeling task, utilizing causal decoders from large language models (LLMs) to model a patient's multimodal trajectory. We first introduce a missingness-aware contrastive pre-training objective that integrates multiple modalities in datasets with missingness in a shared latent space. We then show that autoregressive sequence modeling with transformer-based architectures outperforms baselines on the MIMIC-IV and eICU fine-tuning benchmarks. Finally, we use interpretability techniques to move beyond performance boosts and find that across various patient stays, removing modalities leads to divergent behavior that our contrastive pre-training mitigates. By abstracting clinical diagnosis as sequence modeling and interpreting patient stay trajectories, we develop a framework to profile and handle missing modalities while addressing the canonical desideratum of safe, transparent clinical AI.

CLFeb 19, 2024Code
AnaloBench: Benchmarking the Identification of Abstract and Long-context Analogies

Xiao Ye, Andrew Wang, Jacob Choi et al.

Humans regularly engage in analogical thinking, relating personal experiences to current situations (X is analogous to Y because of Z). Analogical thinking allows humans to solve problems in creative ways, grasp difficult concepts, and articulate ideas more effectively. Can language models (LMs) do the same? To answer this question, we propose AnaloBench, a benchmark to determine analogical reasoning ability in LMs. Our benchmarking approach focuses on aspects of this ability that are common among humans: (i) recalling related experiences from a large amount of information, and (ii) applying analogical reasoning to complex and lengthy scenarios. We test a broad collection of proprietary models (e.g., GPT family, Claude V2) and open source models such as LLaMA2. As in prior results, scaling up LMs results in some performance boosts. Surprisingly, scale offers minimal gains when, (i) analogies involve lengthy scenarios, or (ii) recalling relevant scenarios from a large pool of information, a process analogous to finding a needle in a haystack. We hope these observations encourage further research in this field.

AIDec 25, 2025
NEMO-4-PAYPAL: Leveraging NVIDIA's Nemo Framework for empowering PayPal's Commerce Agent

Sudhanshu Garg, Andrew Wang, Chaitanya Kulkarni et al.

We present the development and optimization of PayPal's Commerce Agent, powered by NEMO-4-PAYPAL, a multi-agent system designed to revolutionize agentic commerce on the PayPal platform. Through our strategic partnership with NVIDIA, we leveraged the NeMo Framework for LLM model fine-tuning to enhance agent performance. Specifically, we optimized the Search and Discovery agent by replacing our base model with a fine-tuned Nemotron small language model (SLM). We conducted comprehensive experiments using the llama3.1-nemotron-nano-8B-v1 architecture, training LoRA-based models through systematic hyperparameter sweeps across learning rates, optimizers (Adam, AdamW), cosine annealing schedules, and LoRA ranks. Our contributions include: (1) the first application of NVIDIA's NeMo Framework to commerce-specific agent optimization, (2) LLM powered fine-tuning strategy for retrieval-focused commerce tasks, (3) demonstration of significant improvements in latency and cost while maintaining agent quality, and (4) a scalable framework for multi-agent system optimization in production e-commerce environments. Our results demonstrate that the fine-tuned Nemotron SLM effectively resolves the key performance issue in the retrieval component, which represents over 50\% of total agent response time, while maintaining or enhancing overall system performance.

IVOct 11, 2024Code
Fully Unsupervised Dynamic MRI Reconstruction via Diffeo-Temporal Equivariance

Andrew Wang, Mike Davies

Reconstructing dynamic MRI image sequences from undersampled accelerated measurements is crucial for faster and higher spatiotemporal resolution real-time imaging of cardiac motion, free breathing motion and many other applications. Classical paradigms, such as gated cine MRI, assume periodicity, disallowing imaging of true motion. Supervised deep learning methods are fundamentally flawed as, in dynamic imaging, ground truth fully-sampled videos are impossible to truly obtain. We propose an unsupervised framework to learn to reconstruct dynamic MRI sequences from undersampled measurements alone by leveraging natural geometric spatiotemporal equivariances of MRI. Dynamic Diffeomorphic Equivariant Imaging (DDEI) significantly outperforms state-of-the-art unsupervised methods such as SSDU on highly accelerated dynamic cardiac imaging. Our method is agnostic to the underlying neural network architecture and can be used to adapt the latest models and post-processing approaches. Our code and video demos are at https://github.com/Andrewwango/ddei.

CVJun 5, 2025Code
MORSE-500: A Programmatically Controllable Video Benchmark to Stress-Test Multimodal Reasoning

Zikui Cai, Andrew Wang, Anirudh Satheesh et al.

Despite rapid advances in vision-language models (VLMs), current benchmarks for multimodal reasoning fall short in three key dimensions. First, they overwhelmingly rely on static images, failing to capture the temporal complexity of real-world environments. Second, they narrowly focus on mathematical problem-solving, neglecting the broader spectrum of reasoning skills -- including abstract, physical, planning, spatial, and temporal capabilities -- required for robust multimodal intelligence. Third, many benchmarks quickly saturate, offering limited headroom for diagnosing failure modes or measuring continued progress. We introduce MORSE-500 (Multimodal Reasoning Stress-test Environment), a video benchmark composed of 500 fully scripted clips with embedded questions spanning six complementary reasoning categories. Each instance is programmatically generated using deterministic Python scripts (via Manim, Matplotlib, MoviePy), generative video models, and curated real footage. This script-driven design allows fine-grained control over visual complexity, distractor density, and temporal dynamics -- enabling difficulty to be scaled systematically as models improve. Unlike static benchmarks that become obsolete once saturated, MORSE-500 is built to evolve: its controllable generation pipeline supports the creation of arbitrarily challenging new instances, making it ideally suited for stress-testing next-generation models. Initial experiments with state-of-the-art systems -- including various Gemini 2.5 Pro and OpenAI o3 which represent the strongest available at the time, alongside strong open-source models -- reveal substantial performance gaps across all categories, with particularly large deficits in abstract and planning tasks. We release the full dataset, generation scripts, and evaluation harness to support transparent, reproducible, and forward-looking multimodal reasoning research.

IVFeb 19, 2025Code
Benchmarking Self-Supervised Learning Methods for Accelerated MRI Reconstruction

Andrew Wang, Steven McDonagh, Mike Davies

Reconstructing MRI from highly undersampled measurements is crucial for accelerating medical imaging, but is challenging due to the ill-posedness of the inverse problem. While supervised deep learning (DL) approaches have shown remarkable success, they traditionally rely on fully-sampled ground truth (GT) images, which are expensive or impossible to obtain in real scenarios. This problem has created a recent surge in interest in self-supervised learning methods that do not require GT. Although recent methods are now fast approaching "oracle" supervised performance, the lack of systematic comparison and standard experimental setups are hindering targeted methodological research and precluding widespread trustworthy industry adoption. We present SSIBench, a modular and flexible comparison framework to unify and thoroughly benchmark Self-Supervised Imaging methods (SSI) without GT. We evaluate 18 methods across 4 realistic MRI scenarios on real data, showing a wide performance landscape whose method ranking differs across scenarios and metrics, exposing the need for further SSI research. Our insights also show how complementary methods could be compounded for future improvements, exemplified by a novel loss we propose, Multi-Operator Equivariant Imaging. To accelerate reproducible research and lower the barrier to entry, we provide the extensible benchmark and open-source reimplementations of all methods at https://andrewwango.github.io/ssibench, allowing researchers to rapidly and fairly contribute and evaluate new methods on the standardised setup for potential leaderboard ranking, or benchmark existing methods on custom datasets, forward operators, or models, unlocking the application of SSI to other valuable GT free domains such as 4D MRI and other nascent scientific imaging modalities.

IROct 27, 2023
Ranking with Slot Constraints

Wentao Guo, Andrew Wang, Bradon Thymes et al.

We introduce the problem of ranking with slot constraints, which can be used to model a wide range of application problems -- from college admission with limited slots for different majors, to composing a stratified cohort of eligible participants in a medical trial. We show that the conventional Probability Ranking Principle (PRP) can be highly sub-optimal for slot-constrained ranking problems, and we devise a new ranking algorithm, called MatchRank. The goal of MatchRank is to produce rankings that maximize the number of filled slots if candidates are evaluated by a human decision maker in the order of the ranking. In this way, MatchRank generalizes the PRP, and it subsumes the PRP as a special case when there are no slot constraints. Our theoretical analysis shows that MatchRank has a strong approximation guarantee without any independence assumptions between slots or candidates. Furthermore, we show how MatchRank can be implemented efficiently. Beyond the theoretical guarantees, empirical evaluations show that MatchRank can provide substantial improvements over a range of synthetic and real-world tasks.

CLAug 14, 2025Code
Hell or High Water: Evaluating Agentic Recovery from External Failures

Andrew Wang, Sophia Hager, Adi Asija et al.

As language model agents are applied to real world problems of increasing complexity, they will be expected to formulate plans across large search spaces. If those plans fail for reasons beyond their control, how well do language agents search for alternative ways to achieve their goals? We devise a specialized agentic planning benchmark to study this question. Each planning problem is solved via combinations of function calls. The agent searches for relevant functions from a set of over four thousand possibilities, and observes environmental feedback in the form of function outputs or error messages. Our benchmark confronts the agent with external failures in its workflow, such as functions that suddenly become unavailable. At the same time, even with the introduction of these failures, we guarantee that the task remains solvable. Ideally, an agent's performance on the planning task should not be affected by the presence of external failures. Overall, we find that language agents struggle to formulate and execute backup plans in response to environment feedback. While state-of-the-art models are often able to identify the correct function to use in the right context, they struggle to adapt to feedback from the environment and often fail to pursue alternate courses of action, even when the search space is artificially restricted. We provide a systematic analysis of the failures of both open-source and commercial models, examining the effects of search space size, as well as the benefits of scaling model size in our setting. Our analysis identifies key challenges for current generative models as well as promising directions for future work.

CVMar 14, 2024Code
Perspective-Equivariance for Unsupervised Imaging with Camera Geometry

Andrew Wang, Mike Davies

Ill-posed image reconstruction problems appear in many scenarios such as remote sensing, where obtaining high quality images is crucial for environmental monitoring, disaster management and urban planning. Deep learning has seen great success in overcoming the limitations of traditional methods. However, these inverse problems rarely come with ground truth data, highlighting the importance of unsupervised learning from partial and noisy measurements alone. We propose perspective-equivariant imaging (EI), a framework that leverages classical projective camera geometry in optical imaging systems, such as satellites or handheld cameras, to recover information lost in ill-posed camera imaging problems. We show that our much richer non-linear class of group transforms, derived from camera geometry, generalises previous EI work and is an excellent prior for satellite and urban image data. Perspective-EI achieves state-of-the-art results in multispectral pansharpening, outperforming other unsupervised methods in the literature. Code at https://github.com/Andrewwango/perspective-equivariant-imaging.

CVMar 2
Perspective-Equivariant Fine-tuning for Multispectral Demosaicing without Ground Truth

Andrew Wang, Mike Davies

Multispectral demosaicing is crucial to reconstruct full-resolution spectral images from snapshot mosaiced measurements, enabling real-time imaging from neurosurgery to autonomous driving. Classical methods are blurry, while supervised learning requires costly ground truth (GT) obtained from slow line-scanning systems. We propose Perspective-Equivariant Fine-tuning for Demosaicing (PEFD), a framework that learns multispectral demosaicing from mosaiced measurements alone. PEFD a) exploits the projective geometry of camera-based imaging systems to leverage a richer group structure than previous demosaicing methods to recover more null-space information, and b) learns efficiently without GT by adapting pretrained foundation models designed for 1-3 channel imaging. On intraoperative and automotive datasets, PEFD recovers fine details such as blood vessels and preserves spectral fidelity, substantially outperforming recent approaches, nearing supervised performance.

CLJan 6, 2025
The FACTS Grounding Leaderboard: Benchmarking LLMs' Ability to Ground Responses to Long-Form Input

Alon Jacovi, Andrew Wang, Chris Alberti et al. · deepmind

We introduce FACTS Grounding, an online leaderboard and associated benchmark that evaluates language models' ability to generate text that is factually accurate with respect to given context in the user prompt. In our benchmark, each prompt includes a user request and a full document, with a maximum length of 32k tokens, requiring long-form responses. The long-form responses are required to be fully grounded in the provided context document while fulfilling the user request. Models are evaluated using automated judge models in two phases: (1) responses are disqualified if they do not fulfill the user request; (2) they are judged as accurate if the response is fully grounded in the provided document. The automated judge models were comprehensively evaluated against a held-out test-set to pick the best prompt template, and the final factuality score is an aggregate of multiple judge models to mitigate evaluation bias. The FACTS Grounding leaderboard will be actively maintained over time, and contains both public and private splits to allow for external participation while guarding the integrity of the leaderboard. It can be found at https://www.kaggle.com/facts-leaderboard.

AIMay 5, 2025
El Agente: An Autonomous Agent for Quantum Chemistry

Yunheng Zou, Austin H. Cheng, Abdulrahman Aldossary et al.

Computational chemistry tools are widely used to study the behaviour of chemical phenomena. Yet, the complexity of these tools can make them inaccessible to non-specialists and challenging even for experts. In this work, we introduce El Agente Q, an LLM-based multi-agent system that dynamically generates and executes quantum chemistry workflows from natural language user prompts. The system is built on a novel cognitive architecture featuring a hierarchical memory framework that enables flexible task decomposition, adaptive tool selection, post-analysis, and autonomous file handling and submission. El Agente Q is benchmarked on six university-level course exercises and two case studies, demonstrating robust problem-solving performance (averaging >87% task success) and adaptive error handling through in situ debugging. It also supports longer-term, multi-step task execution for more complex workflows, while maintaining transparency through detailed action trace logs. Together, these capabilities lay the foundation for increasingly autonomous and accessible quantum chemistry.

LGFeb 22, 2024
Representation Learning for Frequent Subgraph Mining

Rex Ying, Tianyu Fu, Andrew Wang et al. · tsinghua

Identifying frequent subgraphs, also called network motifs, is crucial in analyzing and predicting properties of real-world networks. However, finding large commonly-occurring motifs remains a challenging problem not only due to its NP-hard subroutine of subgraph counting, but also the exponential growth of the number of possible subgraphs patterns. Here we present Subgraph Pattern Miner (SPMiner), a novel neural approach for approximately finding frequent subgraphs in a large target graph. SPMiner combines graph neural networks, order embedding space, and an efficient search strategy to identify network subgraph patterns that appear most frequently in the target graph. SPMiner first decomposes the target graph into many overlapping subgraphs and then encodes each subgraph into an order embedding space. SPMiner then uses a monotonic walk in the order embedding space to identify frequent motifs. Compared to existing approaches and possible neural alternatives, SPMiner is more accurate, faster, and more scalable. For 5- and 6-node motifs, we show that SPMiner can almost perfectly identify the most frequent motifs while being 100x faster than exact enumeration methods. In addition, SPMiner can also reliably identify frequent 10-node motifs, which is well beyond the size limit of exact enumeration approaches. And last, we show that SPMiner can find large up to 20 node motifs with 10-100x higher frequency than those found by current approximate methods.

CLDec 28, 2023
Learning to Generate Text in Arbitrary Writing Styles

Aleem Khan, Andrew Wang, Sophia Hager et al.

Prior work in style-controlled text generation has focused on tasks such as emulating the style of prolific literary authors, producing formal or informal text, and mitigating toxicity of generated text. Plentiful demonstrations of these styles are available, and as a result modern language models are often able to emulate them, either via prompting or discriminative control. However, in applications such as writing assistants, it is desirable for language models to produce text in an author-specific style on the basis of a potentially small writing sample. For example, someone writing in a particular dialect may prefer writing suggestions that retain the same dialect. We find that instruction-tuned language models can struggle to reproduce author-specific style demonstrated in a prompt. Instead, we propose to guide a language model to generate text in a target style using contrastively-trained representations that capture stylometric features. Our approach (StyleMC) combines an author-adapted language model with sequence-level inference to improve stylistic consistency, and is found to be effective in a variety of conditions, including unconditional generation and style transfer. Additionally, we find that the proposed approach can serve as an effective anonymization method, by editing a document to mask authorship while preserving the original meaning

CLJan 28
DeepSearchQA: Bridging the Comprehensiveness Gap for Deep Research Agents

Nikita Gupta, Riju Chatterjee, Lukas Haas et al.

We introduce DeepSearchQA, a 900-prompt benchmark for evaluating agents on difficult multi-step information-seeking tasks across 17 different fields. Unlike traditional benchmarks that target single answer retrieval or broad-spectrum factuality, DeepSearchQA features a dataset of challenging, handcrafted tasks designed to evaluate an agent's ability to execute complex search plans to generate exhaustive answer lists. This shift in design explicitly tests three critical, yet under-evaluated capabilities: 1) systematic collation of fragmented information from disparate sources, 2) de-duplication and entity resolution to ensure precision, and 3) the ability to reason about stopping criteria within an open-ended search space. Each task is structured as a causal chain, where discovering information for one step is dependent on the successful completion of the previous one, stressing long-horizon planning and context retention. All tasks are grounded in the open web with objectively verifiable answer sets. Our comprehensive evaluation of state-of-the-art agent architectures reveals significant performance limitations: even the most advanced models struggle to balance high recall with precision. We observe distinct failure modes ranging from premature stopping (under-retrieval) to hedging behaviors, where agents cast an overly wide net of low-confidence answers to artificially boost recall. These findings highlight critical headroom in current agent designs and position DeepSearchQA as an essential diagnostic tool for driving future research toward more robust, deep-research capabilities.

CLJun 13, 2025
Feedback Friction: LLMs Struggle to Fully Incorporate External Feedback

Dongwei Jiang, Alvin Zhang, Andrew Wang et al.

Recent studies have shown LLMs possess some ability to improve their responses when given external feedback. However, it remains unclear how effectively and thoroughly these models can incorporate extrinsic feedback. In an ideal scenario, if LLMs receive near-perfect and complete feedback, we would expect them to fully integrate the feedback and reach correct solutions. In this paper, we systematically investigate LLMs' ability to incorporate feedback by designing a controlled experimental environment. For each problem, a solver model attempts a solution, then a feedback generator with access to near-complete ground-truth answers produces targeted feedback, after which the solver tries again. We evaluate this pipeline across a diverse range of tasks, including math reasoning, knowledge reasoning, scientific reasoning, and general multi-domain evaluations with state-of-the-art language models including Claude 3.7 with extended thinking. Surprisingly, even under these near-ideal conditions, solver models consistently show resistance to feedback, a limitation that we term Feedback Friction. To mitigate this limitation, we experiment with sampling-based strategies like progressive temperature increases and explicit rejection of previously attempted incorrect answers, which yield improvements but still fail to help models achieve target performance. We analyze Feedback Friction and find that models' confidence on specific questions, measured by semantic entropy, predicts feedback resistance: high-confidence predictions remain resistant to external correction. We hope that highlighting this issue in LLMs will help future research in self-improvement.

LGJul 19, 2025
Better Training Data Attribution via Better Inverse Hessian-Vector Products

Andrew Wang, Elisa Nguyen, Runshi Yang et al. · utoronto

Training data attribution (TDA) provides insights into which training data is responsible for a learned model behavior. Gradient-based TDA methods such as influence functions and unrolled differentiation both involve a computation that resembles an inverse Hessian-vector product (iHVP), which is difficult to approximate efficiently. We introduce an algorithm (ASTRA) which uses the EKFAC-preconditioner on Neumann series iterations to arrive at an accurate iHVP approximation for TDA. ASTRA is easy to tune, requires fewer iterations than Neumann series iterations, and is more accurate than EKFAC-based approximations. Using ASTRA, we show that improving the accuracy of the iHVP approximation can significantly improve TDA performance.

IRAug 12, 2025
Privacy Preserving Inference of Personalized Content for Out of Matrix Users

Michael Sun, Tai Vu, Andrew Wang

Recommender systems for niche and dynamic communities face persistent challenges from data sparsity, cold start users and items, and privacy constraints. Traditional collaborative filtering and content-based approaches underperform in these settings, either requiring invasive user data or failing when preference histories are absent. We present DeepNaniNet, a deep neural recommendation framework that addresses these challenges through an inductive graph-based architecture combining user-item interactions, item-item relations, and rich textual review embeddings derived from BERT. Our design enables cold start recommendations without profile mining, using a novel "content basket" user representation and an autoencoder-based generalization strategy for unseen users. We introduce AnimeULike, a new dataset of 10,000 anime titles and 13,000 users, to evaluate performance in realistic scenarios with high proportions of guest or low-activity users. DeepNaniNet achieves state-of-the-art cold start results on the CiteULike benchmark, matches DropoutNet in user recall without performance degradation for out-of-matrix users, and outperforms Weighted Matrix Factorization (WMF) and DropoutNet on AnimeULike warm start by up to 7x and 1.5x in Recall@100, respectively. Our findings demonstrate that DeepNaniNet delivers high-quality, privacy-preserving recommendations in data-sparse, cold start-heavy environments while effectively integrating heterogeneous content sources.

LGJul 14, 2025
Ground-Compose-Reinforce: Grounding Language in Agentic Behaviours using Limited Data

Andrew C. Li, Toryn Q. Klassen, Andrew Wang et al.

Grounding language in perception and action is a key challenge when building situated agents that can interact with humans, or other agents, via language. In the past, addressing this challenge has required manually designing the language grounding or curating massive datasets that associate language with the environment. We propose Ground-Compose-Reinforce, an end-to-end, neurosymbolic framework for training RL agents directly from high-level task specifications--without manually designed reward functions or other domain-specific oracles, and without massive datasets. These task specifications take the form of Reward Machines, automata-based representations that capture high-level task structure and are in some cases autoformalizable from natural language. Critically, we show that Reward Machines can be grounded using limited data by exploiting compositionality. Experiments in a custom Meta-World domain with only 350 labelled pretraining trajectories show that our framework faithfully elicits complex behaviours from high-level specifications--including behaviours that never appear in pretraining--while non-compositional approaches fail.

CLOct 24, 2024
Does Differential Privacy Impact Bias in Pretrained NLP Models?

Md. Khairul Islam, Andrew Wang, Tianhao Wang et al.

Differential privacy (DP) is applied when fine-tuning pre-trained large language models (LLMs) to limit leakage of training examples. While most DP research has focused on improving a model's privacy-utility tradeoff, some find that DP can be unfair to or biased against underrepresented groups. In this work, we show the impact of DP on bias in LLMs through empirical analysis. Differentially private training can increase the model bias against protected groups w.r.t AUC-based bias metrics. DP makes it more difficult for the model to differentiate between the positive and negative examples from the protected groups and other groups in the rest of the population. Our results also show that the impact of DP on bias is not only affected by the privacy protection level but also the underlying distribution of the dataset.

CVOct 27, 2025
InFlux: A Benchmark for Self-Calibration of Dynamic Intrinsics of Video Cameras

Erich Liang, Roma Bhattacharjee, Sreemanti Dey et al. · princeton

Accurately tracking camera intrinsics is crucial for achieving 3D understanding from 2D video. However, most 3D algorithms assume that camera intrinsics stay constant throughout a video, which is often not true for many real-world in-the-wild videos. A major obstacle in this field is a lack of dynamic camera intrinsics benchmarks--existing benchmarks typically offer limited diversity in scene content and intrinsics variation, and none provide per-frame intrinsic changes for consecutive video frames. In this paper, we present Intrinsics in Flux (InFlux), a real-world benchmark that provides per-frame ground truth intrinsics annotations for videos with dynamic intrinsics. Compared to prior benchmarks, InFlux captures a wider range of intrinsic variations and scene diversity, featuring 143K+ annotated frames from 386 high-resolution indoor and outdoor videos with dynamic camera intrinsics. To ensure accurate per-frame intrinsics, we build a comprehensive lookup table of calibration experiments and extend the Kalibr toolbox to improve its accuracy and robustness. Using our benchmark, we evaluate existing baseline methods for predicting camera intrinsics and find that most struggle to achieve accurate predictions on videos with dynamic intrinsics. For the dataset, code, videos, and submission, please visit https://influx.cs.princeton.edu/.

LGSep 24, 2025
Revisiting Performance Claims for Chest X-Ray Models Using Clinical Context

Andrew Wang, Jiashuo Zhang, Michael Oberst

Public healthcare datasets of Chest X-Rays (CXRs) have long been a popular benchmark for developing computer vision models in healthcare. However, strong average-case performance of machine learning (ML) models on these datasets is insufficient to certify their clinical utility. In this paper, we use clinical context, as captured by prior discharge summaries, to provide a more holistic evaluation of current ``state-of-the-art'' models for the task of CXR diagnosis. Using discharge summaries recorded prior to each CXR, we derive a ``prior'' or ``pre-test'' probability of each CXR label, as a proxy for existing contextual knowledge available to clinicians when interpreting CXRs. Using this measure, we demonstrate two key findings: First, for several diagnostic labels, CXR models tend to perform best on cases where the pre-test probability is very low, and substantially worse on cases where the pre-test probability is higher. Second, we use pre-test probability to assess whether strong average-case performance reflects true diagnostic signal, rather than an ability to infer the pre-test probability as a shortcut. We find that performance drops sharply on a balanced test set where this shortcut does not exist, which may indicate that much of the apparent diagnostic power derives from inferring this clinical context. We argue that this style of analysis, using context derived from clinical notes, is a promising direction for more rigorous and fine-grained evaluation of clinical vision models.

CHEM-PHMar 31, 2022
SELFIES and the future of molecular string representations

Mario Krenn, Qianxiang Ai, Senja Barthel et al.

Artificial intelligence (AI) and machine learning (ML) are expanding in popularity for broad applications to challenging tasks in chemistry and materials science. Examples include the prediction of properties, the discovery of new reaction pathways, or the design of new molecules. The machine needs to read and write fluently in a chemical language for each of these tasks. Strings are a common tool to represent molecular graphs, and the most popular molecular string representation, SMILES, has powered cheminformatics since the late 1980s. However, in the context of AI and ML in chemistry, SMILES has several shortcomings -- most pertinently, most combinations of symbols lead to invalid results with no valid chemical interpretation. To overcome this issue, a new language for molecules was introduced in 2020 that guarantees 100\% robustness: SELFIES (SELF-referencIng Embedded Strings). SELFIES has since simplified and enabled numerous new applications in chemistry. In this manuscript, we look to the future and discuss molecular string representations, along with their respective opportunities and challenges. We propose 16 concrete Future Projects for robust molecular representations. These involve the extension toward new chemical domains, exciting questions at the interface of AI and robust languages and interpretability for both humans and machines. We hope that these proposals will inspire several follow-up works exploiting the full potential of molecular string representations for the future of AI in chemistry and materials science.

MLJan 9, 2022
Robust classification with flexible discriminant analysis in heterogeneous data

Pierre Houdouin, Frédéric Pascal, Matthieu Jonckheere et al.

Linear and Quadratic Discriminant Analysis are well-known classical methods but can heavily suffer from non-Gaussian distributions and/or contaminated datasets, mainly because of the underlying Gaussian assumption that is not robust. To fill this gap, this paper presents a new robust discriminant analysis where each data point is drawn by its own arbitrary Elliptically Symmetrical (ES) distribution and its own arbitrary scale parameter. Such a model allows for possibly very heterogeneous, independent but non-identically distributed samples. After deriving a new decision rule, it is shown that maximum-likelihood parameter estimation and classification are very simple, fast and robust compared to state-of-the-art methods.

CLDec 15, 2021
Simple Text Detoxification by Identifying a Linear Toxic Subspace in Language Model Embeddings

Andrew Wang, Mohit Sudhakar, Yangfeng Ji

Large pre-trained language models are often trained on large volumes of internet data, some of which may contain toxic or abusive language. Consequently, language models encode toxic information, which makes the real-world usage of these language models limited. Current methods aim to prevent toxic features from appearing generated text. We hypothesize the existence of a low-dimensional toxic subspace in the latent space of pre-trained language models, the existence of which suggests that toxic features follow some underlying pattern and are thus removable. To construct this toxic subspace, we propose a method to generalize toxic directions in the latent space. We also provide a methodology for constructing parallel datasets using a context based word masking system. Through our experiments, we show that when the toxic subspace is removed from a set of sentence representations, almost no toxic representations remain in the result. We demonstrate empirically that the subspace found using our method generalizes to multiple toxicity corpora, indicating the existence of a low-dimensional toxic subspace.

CYDec 7, 2020
Near Real-Time Social Distance Estimation in London

James Walsh, Oluwafunmilola Kesa, Andrew Wang et al.

During the COVID-19 pandemic, policy makers at the Greater London Authority, the regional governance body of London, UK, are reliant upon prompt and accurate data sources. Large well-defined heterogeneous compositions of activity throughout the city are sometimes difficult to acquire, yet are a necessity in order to learn 'busyness' and consequently make safe policy decisions. One component of our project within this space is to utilise existing infrastructure to estimate social distancing adherence by the general public. Our method enables near immediate sampling and contextualisation of activity and physical distancing on the streets of London via live traffic camera feeds. We introduce a framework for inspecting and improving upon existing methods, whilst also describing its active deployment on over 900 real-time feeds.

CYJun 5, 2020
Quantum Criticism: A Tagged News Corpus Analysed for Sentiment and Named Entities

Ashwini Badgujar, Sheng Chen, Andrew Wang et al.

In this research, we continuously collect data from the RSS feeds of traditional news sources. We apply several pre-trained implementations of named entity recognition (NER) tools, quantifying the success of each implementation. We also perform sentiment analysis of each news article at the document, paragraph and sentence level, with the goal of creating a corpus of tagged news articles that is made available to the public through a web interface. Finally, we show how the data in this corpus could be used to identify bias in news reporting.

AIApr 15, 2019
Efficiently Exploring Ordering Problems through Conflict-directed Search

Jingkai Chen, Cheng Fang, David Wang et al.

In planning and scheduling, solving problems with both state and temporal constraints is hard since these constraints may be highly coupled. Judicious orderings of events enable solvers to efficiently make decisions over sequences of actions to satisfy complex hybrid specifications. The ordering problem is thus fundamental to planning. Promising recent works have explored the ordering problem as search, incorporating a special tree structure for efficiency. However, such approaches only reason over partial order specifications. Having observed that an ordering is inconsistent with respect to underlying constraints, prior works do not exploit the tree structure to efficiently generate orderings that resolve the inconsistency. In this paper, we present Conflict-directed Incremental Total Ordering (CDITO), a conflict-directed search method to incrementally and systematically generate event total orders given ordering relations and conflicts returned by sub-solvers. Due to its ability to reason over conflicts, CDITO is much more efficient than Incremental Total Ordering. We demonstrate this by benchmarking on temporal network configuration problems that involve routing network flows and allocating bandwidth resources over time.