论文检索

Deep Learning · Generative Models and Autoencoders

Anindya Sarkar, Binglin Ji, Yevgeniy Vorobeychik

In various scientific and engineering domains, where data acquisition is costly—such as in medical imaging, environmental monitoring, or remote sensing—strategic sampling from unobserved regions, guided by prior observations, is essential to maximize target discovery within a limited sampling budget. In this work, we introduce Diffusion-guided Active Target Discovery (DiffATD), a novel method that leverages diffusion dynamics for active target discovery. DiffATD maintains a belief distribution over each unobserved state in the environment, using this distribution to dynamically balance exploration-exploitation. Exploration reduces uncertainty by sampling regions with the highest expected entropy, while exploitation targets areas with the highest likelihood of discovering the target, indicated by the belief distribution and an incrementally trained reward model designed to learn the characteristics of the target. DiffATD enables efficient target discovery in a partially observable environment within a fixed sampling budget, all without relying on any prior supervised training. Furthermore, DiffATD offers interpretability, unlike existing black-box policies that require extensive supervised training. Through extensive experiments and ablation studies across diverse domains, including medical imaging, species discovery and remote sensing, we show that DiffATD performs significantly better than baselines and competitively with supervised methods that operate under full environmental observability.

Probabilistic Methods · Monte Carlo and Sampling Methods

Jose Blanchet, Yassine Hamoudi, Mario Szegedy, Guanyang Wang

The mean of a random variable can be understood as a *linear* functional on the space of probability distributions. Quantum computing is known to provide a quadratic speedup over classical Monte Carlo methods for mean estimation. In this paper, we investigate whether a similar quadratic speedup is achievable for estimating *non-linear* functionals of probability distributions. We propose a \textit{quantum-inside-quantum} algorithm that achieves this speedup for the broad class of nonlinear estimation problems known as nested expectations. Our algorithm improves upon the direct application of the quantum-accelerated multilevel Monte Carlo algorithm introduced by An et. al.. The existing lower bound indicates that our algorithm is optimal up to polylogarithmic factors. A key innovation of our approach is a new sequence of multilevel Monte Carlo approximations specifically designed for quantum computing, which is central to the algorithm's improved performance.

Optimization

Irene Wang, Mostafa Elhoushi, H Ekin Sumbul, Samuel Hsia, Daniel Jiang, Newsha Ardalani, Divya Mahajan, Carole-Jean Wu, Bilge Acun

Machine learning solutions are rapidly adopted to enable a variety of key use cases, from conversational AI assistants to scientific discovery. As the adoption of machine learning models becomes increasingly prevalent, the associated lifecycle carbon footprint is expected to increase, including both *operational carbon* from training and inference and *embodied carbon* from AI hardware manufacturing. We introduce CATransformers, the first carbon-aware co-optimization framework for Transformer-based models and hardware accelerators. By integrating both operational and embodied carbon into early-stage design space exploration, CATransformers enables sustainability-driven model architecture and hardware accelerator co-design that reveals fundamentally different trade-offs than latency- or energy-centric approaches. Evaluated across a range of Transformer models, CATransformers consistently demonstrates the potential to reduce total carbon emissions --by up to 30\% -- while maintaining accuracy and latency. We further highlight its extensibility through a focused case study on multi-modal models. Our results emphasize the need for holistic optimization methods that prioritize carbon efficiency without compromising model capability and execution time performance. The source code of CATransformers is available at https://github.com/facebookresearch/CATransformers.

Computer Vision · Everything Else

Xiaofeng Tan, Hongsong Wang, Xin Geng, Pan Zhou

Text-to-motion generation is essential for advancing the creative industry but often presents challenges in producing consistent, realistic motions. To address this, we focus on fine-tuning text-to-motion models to consistently favor high-quality, human-preferred motions—a critical yet largely unexplored problem. In this work, we theoretically investigate the DPO under both online and offline settings, and reveal their respective limitation: overfitting in offline DPO, and biased sampling in online DPO. Building on our theoretical insights, we introduce Semi-online Preference Optimization (SoPo), a DPO-based method for training text-to-motion models using ``semi-online” data pair, consisting of unpreferred motion from online distribution and preferred motion in offline datasets. This method leverages both online and offline DPO, allowing each to compensate for the other’s limitations. Extensive experiments demonstrate that SoPo outperforms other preference alignment methods, with an MM-Dist of 3.25\% (vs e.g. 0.76\% of MoDiPO) on the MLD model, 2.91\% (vs e.g. 0.66\% of MoDiPO) on MDM model, respectively. Additionally, the MLD model fine-tuned by our SoPo surpasses the SoTA model in terms of R-precision and MM Dist. Visualization results also show the efficacy of our SoPo in preference alignment. Project page: https://xiaofeng-tan.github.io/projects/SoPo/.

Theory · Learning Theory

Eitan Levin, Yuxin Ma, Mateo Diaz, Soledad Villar

Many modern learning tasks require models that can take inputs of varying sizes. Consequently, dimension-independent architectures have been proposed for domains where the inputs are graphs, sets, and point clouds. Recent work on graph neural networks has explored whether a model trained on low-dimensional data can transfer its performance to higher-dimensional inputs. We extend this body of work by introducing a general framework for transferability across dimensions. We show that transferability corresponds precisely to continuity in a limit space formed by identifying small problem instances with equivalent large ones. This identification is driven by the data and the learning task. We instantiate our framework on existing architectures, and implement the necessary changes to ensure their transferability. Finally, we provide design principles for designing new transferable models. Numerical experiments support our findings.

Probabilistic Methods · Everything Else

Valentin Kilian, Stefano Cortinovis, Francois Caron

Given a large pool of unlabelled data and a smaller amount of labels, prediction-powered inference (PPI) leverages machine learning predictions to increase the statistical efficiency of confidence interval procedures based solely on labelled data, while preserving fixed-time validity. In this paper, we extend the PPI framework to the sequential setting, where labelled and unlabelled datasets grow over time. Exploiting Ville's inequality and the method of mixtures, we propose prediction-powered confidence sequence procedures that are asymptotically valid uniformly over time and naturally accommodate prior knowledge on the quality of the predictions to further boost efficiency. We carefully illustrate the design choices behind our method and demonstrate its effectiveness in real and synthetic examples.

Computer Vision · 3D Rendering & Reconstruction

Qiwei Wang, Shaoxun Wu, Yujiao Shi

This paper addresses the problem of weakly supervised cross-view localization, where the goal is to estimate the pose of a ground camera relative to a satellite image with noisy ground truth annotations. A common approach to bridge the cross-view domain gap for pose estimation is Bird’s-Eye View (BEV) synthesis. However, existing methods struggle with height ambiguity due to the lack of depth information in ground images and satellite height maps. Previous solutions either assume a flat ground plane or rely on complex models, such as cross-view transformers. We propose BevSplat, a novel method that resolves height ambiguity by using feature-based Gaussian primitives. Each pixel in the ground image is represented by a 3D Gaussian with semantic and spatial features, which are synthesized into a BEV feature map for relative pose estimation. We validate our method on the widely used KITTI and VIGOR datasets, which include both pinhole and panoramic query images. Experimental results show that BevSplat significantly improves localization accuracy over prior approaches.

Data-centric AI · Data-centric AI methods and tools

Dylan Sam, Ayan Chakrabarti, Afshin Rostamizadeh, Srikumar Ramalingam, Gui Citovsky, Sanjiv Kumar

Measuring similarity between training examples is critical for curating high-quality and diverse pretraining datasets for language models. However, similarity is typically computed with a generic off-the-shelf embedding model that has been trained for tasks such as retrieval. Whether these embedding-based similarity metrics are well-suited for pretraining data selection remains largely unexplored. In this paper, we propose a new framework to assess the suitability of a similarity metric specifically for data curation in language model pretraining applications. Our framework's first evaluation criterion captures how well distances reflect generalization in pretraining loss between different training examples. Next, we use each embedding model to guide a standard diversity-based data curation algorithm and measure its utility by pretraining a language model on the selected data and evaluating downstream task performance. Finally, we evaluate the capabilities of embeddings to distinguish between examples from different data sources. With these evaluations, we demonstrate that standard off-the-shelf embedding models are not well-suited for the pretraining data curation setting, underperforming even remarkably simple embeddings that are extracted from models trained on the same pretraining corpus. Our experiments are performed on the Pile, for pretraining a 1.7B parameter language model on 200B tokens. We believe our analysis and evaluation framework serves as a foundation for the future design of embeddings that specifically reason about similarity in pretraining datasets.

Applications · Chemistry and Drug Discovery

Jason Yang, Wenda Chu, Daniel Khalil, Raul Astudillo, Bruce Wittmann, Frances Arnold, Yisong Yue

Protein fitness optimization involves finding a protein sequence that maximizes desired quantitative properties in a combinatorially large design space of possible sequences. Recent advances in steering protein generative models (e.g., diffusion models and language models) with labeled data offer a promising approach. However, most previous studies have optimized surrogate rewards and/or utilized large amounts of labeled data for steering, making it unclear how well existing methods perform and compare to each other in real-world optimization campaigns where fitness is measured through low-throughput wet-lab assays. In this study, we explore fitness optimization using small amounts (hundreds) of labeled sequence-fitness pairs and comprehensively evaluate strategies such as classifier guidance and posterior sampling for guiding generation from different discrete diffusion models of protein sequences. We also demonstrate how guidance can be integrated into adaptive sequence selection akin to Thompson sampling in Bayesian optimization, showing that plug-and-play guidance strategies offer advantages over alternatives such as reinforcement learning with protein language models. Overall, we provide practical insights into how to effectively steer modern generative models for next-generation protein fitness optimization.

General Machine Learning · Causality

Jiyuan Tan, Vasilis Syrgkanis, Jose Blanchet

Causal effect estimation seeks to determine the impact of an intervention from observational data. However, the existing causal inference literature primarily addresses treatment effects on frequently occurring events. But what if we are interested in estimating the effects of a policy intervention whose benefits, while potentially important, can only be observed and measured in rare yet impactful events, such as extreme climate events? The standard causal inference methodology is not designed for this type of inference since the events of interest may be scarce in the observed data and some degree of extrapolation is necessary. Extreme Value Theory (EVT) provides methodologies for analyzing statistical phenomena in such extreme regimes. We introduce a novel framework for assessing treatment effects in extreme data to capture the causal effect at the occurrence of rare events of interest. In particular, we employ the theory of multivariate regular variation to model extremities. We develop a consistent estimator for extreme treatment effects and present a rigorous non-asymptotic analysis of its performance. We illustrate the performance of our estimator using both synthetic and semi-synthetic data.

Applications · Neuroscience, Cognitive Science

Mete Erdogan, Cengiz Pehlevan, Alper Erdogan

We introduce *Error Broadcast and Decorrelation* (EBD), a novel learning framework for neural networks that addresses credit assignment by directly broadcasting output errors to individual layers, circumventing weight transport of backpropagation. EBD is rigorously grounded in the stochastic orthogonality property of Minimum Mean Square Error estimators. This fundamental principle states that the error of an optimal estimator is orthogonal to functions of the input. Guided by this insight, EBD defines layerwise loss functions that directly penalize correlations between layer activations and output errors, thereby establishing a principled foundation for error broadcasting. This theoretically sound mechanism naturally leads to the experimentally observed three-factor learning rule and integrates with biologically plausible frameworks to enhance performance and plausibility. Numerical experiments demonstrate EBD’s competitive or better performance against other error-broadcast methods on benchmark datasets. Our findings establish EBD as an efficient, biologically plausible, and principled alternative for neural network training.

Applications · Language, Speech and Dialog

Yumin Choi, Jinheon Baek, Sung Ju Hwang

Large Language Models (LLMs) have shown remarkable capabilities, with optimizing their input prompts playing a pivotal role in maximizing their performance. However, while LLM prompts consist of both the task-agnostic system prompts and task-specific user prompts, existing work on prompt optimization has focused on user prompts specific to individual queries or tasks, and largely overlooked the system prompt that is, once optimized, applicable across different tasks and domains. Motivated by this, we introduce the novel problem of bilevel system prompt optimization, whose objective is to design system prompts that are robust to diverse user prompts and transferable to unseen tasks. To tackle this problem, we then propose a meta-learning framework, which meta-learns the system prompt by optimizing it over various user prompts across multiple datasets, while simultaneously updating the user prompts in an iterative manner to ensure synergy between them. We conduct experiments on 14 unseen datasets spanning 5 different domains, on which we show that our approach produces system prompts that generalize effectively to diverse user prompts. Also, our findings reveal that the optimized system prompt enables rapid adaptation even to unseen tasks, requiring fewer optimization steps for test-time user prompts while achieving improved performance.

Deep Learning · Algorithms

Senkang Hu, Xudong Han, Jinqi Jiang, Yihang Tao, Zihan Fang, Yong Dai, Sam Kwong, Yuguang Fang

Adapting billion-parameter language models to a downstream task is still costly, even with parameter-efficient fine-tuning (PEFT). We re-cast task adaptation as output-distribution alignment: the objective is to steer the output distribution toward the task distribution directly during decoding rather than indirectly through weight updates. Building on this view, we introduce Steering Vector Decoding (SVDecode), a lightweight, PEFT-compatible, and theoretically grounded method. We start with a short warm-start fine-tune and extract a task-aware steering vector from the Kullback-Leibler (KL) divergence gradient between the output distribution of the warm-started and pre-trained models. This steering vector is then used to guide the decoding process to steer the model's output distribution towards the task distribution. We theoretically prove that SVDecode is first-order equivalent to the gradient step of full fine-tuning and derive a globally optimal solution for the strength of the steering vector. Across three tasks and nine benchmarks, SVDecode paired with four standard PEFT methods improves multiple-choice accuracy by up to 5 percentage points and open-ended truthfulness by 2 percentage points, with similar gains (1-2 percentage points) on commonsense datasets without adding trainable parameters beyond the PEFT adapter. SVDecode thus offers a lightweight, theoretically grounded path to stronger task adaptation for large language models.

Computer Vision · Vision Models & Multimodal

Zhuo Cao, Heming Du, Bingqing Zhang, Xin Yu, Xue Li, Sen Wang

Existing Moment retrieval (MR) methods focus on Single-Moment Retrieval (SMR). However, one query can correspond to multiple relevant moments in real-world applications. This makes the existing datasets and methods insufficient for video temporal grounding. By revisiting the gap between current MR tasks and real-world applications, we introduce a high-quality datasets called QVHighlights Multi-Moment Dataset (QV-M$^2$), along with new evaluation metrics tailored for multi-moment retrieval (MMR). QV-M$^2$ consists of 2,212 annotations covering 6,384 video segments. Building on existing efforts in MMR, we propose a framework called FlashMMR. Specifically, we propose a Multi-moment Post-verification module to refine the moment boundaries. We introduce constrained temporal adjustment and subsequently leverage a verification module to re-evaluate the candidate segments. Through this sophisticated filtering pipeline, low-confidence proposals are pruned, and robust multi-moment alignment is achieved. We retrain and evaluate 6 existing MR methods on QV-M$^2$ and QVHighlights under both SMR and MMR settings. Results show that QV-M$^2$ serves as an effective benchmark for training and evaluating MMR models, while FlashMMR provides a strong baseline. Specifically, on QV-M$^2$, it achieves improvements over prior SOTA method by 3.00% on G-mAP, 2.70% on mAP@3+tgt, and 2.56% on mR@3. The proposed benchmark and method establish a foundation for advancing research in more realistic and challenging video temporal grounding scenarios. Code is released at https://github.com/Zhuo-Cao/QV-M2.

General Machine Learning · Causality

Anish Dhir, Cristiana Diaconu, Valentinian Lungu, James Requeima, Richard Turner, Mark van der Wilk

In scientific domains---from biology to the social sciences---many questions boil down to \textit{What effect will we observe if we intervene on a particular variable?} If the causal relationships (e.g.~a causal graph) are known, its possible to estimate the intervention distributions. In the absence of this domain knowledge, the causal structure must be discovered from the available observational data. However, observational data are often compatible with multiple causal graphs, making methods that commit to a single structure prone to overconfidence. A principled way to manage this structural uncertainty is via Bayesian inference, which averages over a posterior distribution on possible causal structures and functional mechanisms. Unfortunately, the number of causal structures grows super-exponentially with the number of nodes in the graph, making computations intractable. We propose to circumvent these challenges by using meta-learning to create an end-to-end model: the Model-Averaged Causal Estimation Transformer Neural Process (MACE-TNP). The model is trained to predict the Bayesian model-averaged interventional posterior distribution, and its end-to-end nature bypasses the need for expensive calculations. Empirically, we demonstrate that MACE-TNP outperforms strong Bayesian baselines. Our work established meta-learning as a flexible and scalable paradigm for approximating complex Bayesian causal inference, that can be scaled to increasingly challenging settings in the future.

Applications · Health

Janet Wang, Yunbei Zhang, Zhengming Ding, Jihun Hamm

Paucity of medical data severely limits the generalizability of diagnostic ML models, as the full spectrum of disease variability can not be represented by a small clinical dataset. To address this, diffusion models (DMs) have been considered as a promising avenue for synthetic image generation and augmentation. However, they frequently produce _medically inaccurate_ images, deteriorating the model performance. Expert domain knowledge is critical for synthesizing images that correctly encode clinical information, especially when data is scarce and quality outweighs quantity. Existing approaches for incorporating human feedback, such as reinforcement learning (RL) and Direct Preference Optimization (DPO), rely on robust reward functions or demand labor-intensive expert evaluations. Recent progress in Multimodal Large Language Models (MLLMs) reveals their strong visual reasoning capabilities, making them adept candidates as evaluators. In this work, we propose a novel framework, coined MAGIC (**M**edically **A**ccurate **G**eneration of **I**mages through AI-Expert **C**ollaboration), that synthesizes clinically accurate skin disease images for data augmentation. Our method creatively translates expert-defined criteria into actionable feedback for image synthesis of DMs, significantly improving clinical accuracy while reducing the direct human workload. Experiments demonstrate that our method greatly improves the clinical quality of synthesized skin disease images, with outputs aligning with dermatologist assessments. Additionally, augmenting training data with these synthesized images improves diagnostic accuracy by +9.02% on a challenging 20-condition skin disease classification task, and by +13.89% in the few-shot setting. Beyond image synthesis, MAGIC illustrates a task-centric alignment paradigm: instead of adapting MLLMs to niche medical tasks, it adapts tasks to the evaluative strengths of general-purpose MLLMs by decomposing domain knowledge into attribute-level checklists. This design offers a scalable and reliable path for leveraging foundation models in specialized domains.

Computer Vision · Vision Models & Multimodal

Rongyuan Wu, Lingchen Sun, Zhengqiang ZHANG, Shihao Wang, Tianhe Wu, Qiaosi Yi, Shuai Li, Lei Zhang

Benefiting from pre-trained text-to-image (T2I) diffusion models, real-world image super-resolution (Real-ISR) methods can synthesize rich and realistic details. However, due to the inherent stochasticity of T2I models, different noise inputs often lead to outputs with varying perceptual quality. Although this randomness is sometimes seen as a limitation, it also introduces a wider perceptual quality range, which can be exploited to improve Real-ISR performance. To this end, we introduce Direct Perceptual Preference Optimization for Real-ISR (DP²O-SR), a framework that aligns generative models with perceptual preferences without requiring costly human annotations. We construct a hybrid reward signal by combining full-reference and no-reference image quality assessment (IQA) models trained on large-scale human preference datasets. This reward encourages both structural fidelity and natural appearance. To better utilize perceptual diversity, we move beyond the standard best-vs-worst selection and construct multiple preference pairs from outputs of the same model. Our analysis reveals that the optimal selection ratio depends on model capacity: smaller models benefit from broader coverage, while larger models respond better to stronger contrast in supervision. Furthermore, we propose hierarchical preference optimization, which adaptively weights training pairs based on intra-group reward gaps and inter-group diversity, enabling more efficient and stable learning. Extensive experiments across both diffusion- and flow-based T2I backbones demonstrate that DP²O-SR significantly improves perceptual quality and generalizes well to real-world benchmarks.

Computer Vision · Vision Models & Multimodal

Daniel Bolya, Po-Yao Huang, Peize Sun, Jang Hyun Cho, Andrea Madotto, Chen Wei, Tengyu Ma, Jiale Zhi, Jathushan Rajasegaran, Hanoona Bangalath 等

We introduce Perception Encoder (PE), a family of state-of-the-art vision encoders for image and video understanding. Traditionally, vision encoders have relied on a variety of pretraining objectives, each excelling at different downstream tasks. Surprisingly, after scaling a carefully tuned image pretraining recipe and refining with a robust video data engine, we find that contrastive vision-language training alone can produce strong, general embeddings for all of these downstream tasks. There is only one caveat: these embeddings are hidden within the intermediate layers of the network. To draw them out, we introduce two alignment methods: language alignment for multimodal language modeling, and spatial alignment for dense prediction. Together, our PE family of models achieves state-of-the-art results on a wide variety of tasks, including zero-shot image and video classification and retrieval; document, image, and video Q&A; and spatial tasks such as detection, tracking, and depth estimation. We release our models, code, and novel dataset of synthetically and human-annotated videos: https://github.com/facebookresearch/perception_models

Optimization · Optimization and Learning under Uncertainty

Wei Shen, Jiawei Zhang, Minhui Huang, Cong Shen

We study bilevel optimization problems where the lower-level problems are strongly convex and have coupled linear constraints. To overcome the potential non-smoothness of the hyper-objective and the computational challenges associated with the Hessian matrix, we utilize penalty and augmented Lagrangian methods to reformulate the original problem as a single-level one. Especially, we establish a strong theoretical connection between the reformulated function and the original hyper-objective by characterizing the closeness of their values and derivatives. Based on this reformulation, we propose a single-loop, first-order algorithm for linearly constrained bilevel optimization (SFLCB). We provide rigorous analyses of its non-asymptotic convergence rates, showing an improvement over prior double-loop algorithms -- form $O(\epsilon^{-3}\log(\epsilon^{-1}))$ to $O(\epsilon^{-3})$. The experiments corroborate our theoretical findings and demonstrate the practical efficiency of the proposed SFLCB algorithm. Simulation code is provided at https://github.com/ShenGroup/SFLCB.

Applications · Everything Else

Orr Paradise, Liangyuan Chen, Pranav Muralikrishnan, Hugo Flores, Bryan Pardo, Roee Diamant, David Gruber, Shane Gero, Shafi Goldwasser

Sperm whales communicate in short sequences of clicks known as codas. We present WhAM (Whale Acoustics Model), the first transformer-based model capable of generating synthetic sperm whale codas from any audio prompt. WhAM is built by finetuning VampNet, a masked acoustic token model pretrained on musical audio, using 10k coda recordings collected over the past two decades. Through iterative masked token prediction, WhAM generates high-fidelity synthetic codas that preserve key acoustic features of the source recordings. We evaluate WhAM's synthetic codas using Fréchet Audio Distance and through perceptual studies with expert marine biologists. On downstream tasks including rhythm, social unit, and vowel classification, WhAM's learned representations achieve strong performance, despite being trained for generation rather than classification. Our code is available at https://github.com/Project-CETI/wham