Publications
Our teams aspire to make discoveries that impact everyone, and core to our approach is sharing our research and tools to fuel progress in the field.
Our teams aspire to make discoveries that impact everyone, and core to our approach is sharing our research and tools to fuel progress in the field.
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1 - 15 of 10133 publications
Drug Design on Quantum Computers
Raffaele Santagati
Alán Aspuru-Guzik
Matthias Degroote
Leticia Gonzalez
Elica Kyoseva
Nikolaj Moll
Markus Oppel
Robert Parrish
Michael Streif
Christofer Tautermann
Horst Weiss
Nathan Wiebe
Clemens Utschig-Utschig
Nature Physics (2024)
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The promised industrial applications of quantum computers often rest on their anticipated ability to perform accurate, efficient quantum chemical calculations. Computational drug discovery relies on accurate predictions of how candidate drugs interact with their targets in a cellular environment involving several thousands of atoms at finite temperatures. Although quantum computers are still far from being used as daily tools in the pharmaceutical industry, here we explore the challenges and opportunities of applying quantum computers to drug design. We discuss where these could transform industrial research and identify the substantial further developments needed to reach this goal.
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The state-of-the-art for training on-device language models for mobile keyboard applications combines federated learning (FL) with differential privacy (DP) via the DP-Follow-the-Regularized-Leader (DP-FTRL) algorithm. Two variants of DP-FTRL are used in practice, tree aggregation and matrix factorization. However, tree aggregation suffers from significantly suboptimal privacy/utility tradeoffs, while matrix mechanisms require expensive optimization parameterized by hard-to-estimate-in-advance constants, and high runtime memory costs.This paper extends the recently introduced Buffered Linear Toeplitz (BLT) mechanism to multi-participation scenarios. Our BLT-DP-FTRL maintains the ease-of-use advantages of tree aggregation, while essentially matching matrix factorization in terms of utility and privacy. We evaluate BLT-DP-FTRL on the StackOverflow dataset, serving as a re-producible simulation benchmark, and across four on-device language model tasks in a production FL system. Our empirical results highlight the advantages of the BLT mechanism and elevate the practicality and effectiveness of DP in real-world scenarios.
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Using Early Readouts to Mediate Featural Bias in Distillation
Rishabh Tiwari
Durga Sivasubramanian
Anmol Mekala
Ganesh Ramakrishnan
WACV 2024 (2024)
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Deep networks tend to learn spurious feature-label correlations in real-world supervised learning tasks. This vulnerability is aggravated in distillation, where a (student) model may have less representational capacity than the corresponding teacher model. Often, knowledge of specific problem features is used to reweight instances & rebalance the learning process. We propose a novel early readout mechanism whereby we attempt to predict the label using representations from earlier network layers. We show that these early readouts automatically identify problem instances or groups in the form of confident, incorrect predictions. We improve group fairness measures across benchmark datasets by leveraging these signals to mediate between teacher logits and supervised label. We extend our results to the closely related but distinct problem of domain generalization, which also critically depends on the quality of learned features. We provide secondary analyses that bring insight into the role of feature learning in supervision and distillation.
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Enhancing Trust and Safety in Digital Payments: An LLM-Powered Approach
Anant Modwal
Govind Kaushal
Ramanan Balakrishnan
Shanay Shah
Monu Agrawal
Justin Lin
Prakash Hariramani
Priya Mandawat
Rutvik Karve
Naveen Madiraju
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Digital payment systems have revolutionized financial transactions, offering unparalleled convenience and accessibility to users worldwide. However, the increasing popularity of these platforms has also attracted malicious actors seeking to exploit their vulnerabilities for financial gain. To address this challenge, robust and adaptable scam detection mechanisms are crucial for maintaining the trust and safety of digital payment ecosystems. This paper presents a comprehensive approach to scam detection, focusing on the Unified Payments Interface (UPI) in India, Google Pay (GPay) as a specific use case. The approach leverages Large Language Models (LLMs) to enhance scam classification accuracy and designs a digital assistant to aid human reviewers in identifying and mitigating fraudulent activities. The results demonstrate the potential of LLMs in augmenting existing machine learning models and improving the efficiency, accuracy, quality, and consistency of scam reviews, ultimately contributing to a safer and more secure digital payment landscape. Our evaluation of the Gemini Ultra model on curated transaction data showed a 93.33% accuracy in scam classification. Furthermore, the model demonstrated 89% accuracy in generating reasoning for these classifications. A promising fact, the model identified 32% new accurate reasons for suspected scams that human reviewers had not included in the review notes.
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This paper presents NOMAD (Non-Matching Audio Distance), a differentiable perceptual similarity metric that measures the distance of a degraded signal against non-matching references. The proposed method is based on learning deep feature embeddings via a triplet loss guided by the Neurogram Similarity Index Measure (NSIM) to capture degradation intensity. During inference, the similarity score between any two audio samples is computed through Euclidean distance of their embeddings. NOMAD is fully unsupervised and can be used in general perceptual audio tasks for audio analysis e.g. quality assessment and generative tasks such as speech enhancement and speech synthesis. The proposed method is evaluated with 3 tasks. Ranking degradation intensity, predicting speech quality, and as a loss function for speech enhancement. Results indicate NOMAD outperforms other non-matching reference approaches in both ranking degradation intensity and quality assessment, exhibiting competitive performance with full-reference audio metrics. NOMAD demonstrates a promising technique that mimics human capabilities in assessing audio quality with non-matching references to learn perceptual embeddings without the need for human-generated labels.
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We present Prequal (\emph{Probing to Reduce Queuing and Latency}), a load balancer
for distributed multi-tenant systems. Prequal aims to minimize
real-time request latency in the presence of heterogeneous server
capacities and non-uniform, time-varying antagonist load. It actively probes
server load to leverage the \emph{power of $d$ choices}
paradigm, extending it with asynchronous and reusable probes. Cutting
against received wisdom, Prequal does not balance CPU load, but instead
selects servers according to estimated latency and active requests-in-flight
(RIF). We explore its major design features on a testbed system
and evaluate it on YouTube, where it has been deployed for more than two years. Prequal has dramatically decreased tail latency, error rates, and resource use, enabling YouTube and
other production systems at Google to run at much higher utilization.
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The evolution of AI is a pivotal moment in history, but it’s not the first time we have experienced technological advances that have changed how humans work. By looking at the advances in automobiles, we are reminded of the importance of focusing on our developers' needs and goals.
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Principal-agent problems arise when one party acts on behalf of another, leading to conflicts of interest. The economic literature has extensively studied principal-agent problems, and recent work has extended this to more complex scenarios such as Markov Decision Processes (MDPs). In this paper, we further explore this line of research by investigating how reward shaping under budget constraints can improve the principal's utility. We study a two-player Stackelberg game where the principal and the agent have different reward functions, and the agent chooses an MDP policy for both players. The principal offers an additional reward to the agent, and the agent picks their policy selfishly to maximize their reward, which is the sum of the original and the offered reward. Our results establish the NP-hardness of the problem and offer polynomial approximation algorithms for two classes of instances: Stochastic trees and deterministic decision processes with a finite horizon.
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ViSAGe: A Global-Scale Analysis of Visual Stereotypes in Text-to-Image Generation
Akshita Jha
Sarah Laszlo
Rida Qadri
Chandan Reddy
ACL (2024)
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Recent studies have highlighted the issue of varying degrees of stereotypical depictions for different identity group. However, these existing approaches have several key limitations, including a noticeable lack of coverage of identity groups in their evaluation, and the range of their associated stereotypes. Additionally, these studies often lack a critical distinction between inherently visual stereotypes, such as `brown' or `sombrero', and culturally influenced stereotypes like `kind' or `intelligent'. In this work, we address these limitations by grounding our evaluation of regional, geo-cultural stereotypes in the generated images from Text-to-Image models by leveraging existing textual resources. We employ existing stereotype benchmarks to evaluate stereotypes and focus exclusively on the identification of visual stereotypes within the generated images spanning 135 identity groups. We also compute the offensiveness across identity groups, and check the feasibility of identifying stereotypes automatically. Further, through a detailed case study and quantitative analysis, we reveal how the default representations of all identity groups have a more stereotypical appearance, and for historically marginalized groups, how the images across different attributes are visually more similar than other groups, even when explicitly prompted otherwise.
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Grounded generation aims to equip language models (LMs) with the ability to produce more credible and accountable responses by accurately citing verifiable sources. However, existing methods, by either feeding LMs with raw or preprocessed materials, remain prone to errors. To address this, we introduce CaLM, a novel verification framework. CaLM leverages the insight that a robust grounded response should be consistent with information derived solely from its cited sources. Our framework empowers smaller LMs, which rely less on parametric memory and excel at processing relevant information given a query, to validate the output of larger LMs. Larger LM responses that closely align with the smaller LMs' output, which relies exclusively on cited documents, are verified. Responses showing discrepancies are iteratively refined through a feedback loop. Experiments on three open-domain question-answering datasets demonstrate significant performance gains of 1.5% to 7% absolute average without any required model fine-tuning.
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Efficiency of the Generalized Second-Price Auction for Value Maximizers
Hanrui Zhang
Proceedings of the ACM on Web Conference 2024, 46–56
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We study the price of anarchy of the generalized second-price auction where bidders are value maximizers (i.e., autobidders). We show that in general the price of anarchy can be as bad as 0. For comparison, the price of anarchy of running VCG is 1/2 in the autobidding world. We further show a fined-grained price of anarchy with respect to the discount factors (i.e., the ratios of click probabilities between lower slots and the highest slot in each auction) in the generalized second-price auction, which highlights the qualitative relation between the smoothness of the discount factors and the efficiency of the generalized second-price auction.
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Its All Relative! -- A Synthetic Query Generation Approach for Improving Zero-Shot Relevance Prediction
Findings of the Association for Computational Linguistics: NAACL 2024
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Recent developments in large language models (LLMs) have shown promise in their ability to generate synthetic query-document pairs by prompting LLMs with as few as 8 demonstrations \cite{dai2022promptagator}.
This has enabled building better IR models especially for tasks which have no training data readily available.
Typically, such synthetic query generation (QGen) approaches condition on an input context (e.g. document) and generate a query that is relevant to that context or condition the QGen model additionally on the relevance label (e.g. relevant vs irrelevant) to generate queries across relevance buckets.
However, we find that such QGen approaches are sub-optimal as it requires the model to reason about the desired label and the input from only a handful of examples, which is not trivial, especially when the relevance buckets are nuanced.
In this work, we propose to reduce this burden of LLMs by generating queries simultaneously for different labels (e.g. relevance buckets).
We hypothesize that instead of asking the model to generate, say, an irrelevant query given an input context, asking the model to generate an irrelevant query with respect to a relevant query is a much simpler task setup for the model to reason about.
Extensive experimentation across seven IR datasets shows that synthetic queries generated in such a fashion translates to a better downstream performance, suggesting that the generated queries are indeed of higher quality.
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Large Scale K-Clustering
ACM Transactions on Knowledge Discovery from Data (2024)
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Large-scale learning algorithms are essential for modern data collections that may have billions of data points. Here we study the design of parallel $k$-clustering algorithms, which include the $k$-median, $k$-medoids, and $k$-means clustering problems. We design efficient parallel algorithms for these problems and prove that they still compute constant-factor approximations to the optimal solution for stable clustering instances. In addition to our theoretic results we present computational experiments that show that our $k$-median and $k$-means algorithms work well in practice - we are able to find better clusterings than state-of-the-art coreset constructions using samples of the same size.
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Google Cloud SQL customers encounter PostgreSQL bugs corrupting databases, rarely but reproducibly. This talk will cover use of tools, especially amcheck, to grasp these bugs sufficiently to write fixes and test cases. Those fixes are now part of core PostgreSQL. It will include lessons for avoiding such bugs in future PostgreSQL development. Finally, it will share a diagnostic feature wish list.
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Conformal Language Modeling
Victor Quach
Adam Fisch
Adam Yala
Jae Ho Sohn
Tommi Jaakkola
Regina Barzilay
ICLR (2024)
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In this paper, we propose a novel approach to conformal prediction (CP) that is adapted to generative, large language models (LLMs). Conformal prediction is a popular technique for deriving prediction sets from machine learning models that have rigorous, statistical performance guarantees. We extend conformal techniques to a broad class of language models that sample from a conditional distribution over the combinatorial, unbounded space of possible text outputs, given some input prompt. Specifically, we translate the process of constructing prediction sets into calibrating a \emph{stopping rule}, under which we draw diverse samples from our model until we are confident that the growing set of candidate answers includes at least one high-quality response. At the same time, we calibrate a \emph{rejection rule} to selectively discard low-quality or redundant responses to reduce sample noise. Under minimal assumptions, we theoretically prove that our resulting output sets contain at least one high-quality answer with some desired probability that a user can set (such as $90\%$), while still remaining empirically precise on average. Furthermore, within this set of sampled candidate answers, we show that we can also accurately identify subsets of individual components (e.g., phrases or sentences) that are each independently correct (e.g., that are not ``hallucinations'')---again, with provably high probability. We demonstrate the effectiveness of our approach on multiple types of large language models applied to tasks in open-domain question answering, text summarization, and radiology report generation.
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