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Deep Learning · Foundation Models

Keyon Vafa, Peter Chang, Ashesh Rambachan, Sendhil Mullainathan

Foundation models are premised on the idea that sequence prediction can uncover deeper domain understanding, much like how Kepler's predictions of planetary motion later led to the discovery of Newtonian mechanics. However, evaluating whether these models truly capture deeper structure remains a challenge. We develop a technique for evaluating foundation models that examines how they adapt to synthetic datasets generated from some postulated world model. Our technique measures whether the foundation model's inductive bias aligns with the world model, and so we refer to it as an inductive bias probe. Across multiple domains, we find that foundation models can excel at their training tasks yet fail to develop inductive biases towards the underlying world model when adapted to new tasks. We particularly find that foundation models trained on orbital trajectories consistently fail to apply Newtonian mechanics when adapted to new physics tasks. Further analysis reveals that these models behave as if they develop task-specific heuristics that fail to generalize.

General Machine Learning · Causality

Sirui Lin, Zijun Gao, Jose Blanchet, Peter Glynn

Causal estimands can vary significantly depending on the relationship between outcomes in treatment and control groups, leading to wide partial identification (PI) intervals that impede decision making. Incorporating covariates can substantially tighten these bounds, but requires determining the range of PI over probability models consistent with the joint distributions of observed covariates and outcomes in treatment and control groups. This problem is known to be equivalent to a conditional optimal transport (COT) optimization task, which is more challenging than standard optimal transport (OT) due to the additional conditioning constraints. In this work, we study a tight relaxation of COT that effectively reduces it to standard OT, leveraging its well-established computational and theoretical foundations. Our relaxation incorporates covariate information and ensures narrower PI intervals for any value of the penalty parameter, while becoming asymptotically exact as a penalty increases to infinity. This approach preserves the benefits of covariate adjustment in PI and results in a data-driven estimator for the PI set that is easy to implement using existing OT packages. We analyze the convergence rate of our estimator and demonstrate the effectiveness of our approach through extensive simulations, highlighting its practical use and superior performance compared to existing methods.

Deep Learning · Generative Models and Autoencoders

Shu-wen Yang, Byeonggeun Kim, Kuan Po Huang, Qingming Tang, Huy Phan, Bo-Ru Lu, Harshavardhan Sundar, Shalini Ghosh, Hung-yi Lee, Chieh-Chi Kao 等

Autoregressive next-token prediction with the Transformer decoder has become a de facto standard in large language models (LLMs), achieving remarkable success in Natural Language Processing (NLP) at scale. Extending this paradigm to audio poses unique challenges due to its inherently continuous nature. We research audio generation with a causal language model (LM) without discrete tokens. We leverage token-wise diffusion to model the continuous distribution of the next continuous-valued token. Our approach delivers significant improvements over previous discrete solution, AudioGen, achieving 20% and 40% relative gains on AudioCaps in Frechet Audio Distance (FAD) and Kullback-Leibler (KL) divergence, respectively. Additionally, we propose a novel masked next-token prediction task that incorporates masked prediction into the causal LM framework. On AudioCaps, the innovation yields 41% and 33% relative FAD improvements over AudioGen Base (285M) and AudioGen Large (1B) models, respectively, and is on par with the state-of-the-art (SOTA) diffusion models. Furthermore, we achieve these results with significantly fewer parameters—193M for our Base and 462M for our Large models.

Social Aspects · Fairness

Sushant Agarwal, Amit Jayant Deshpande, Rajmohan Rajaraman, Ravi Sundaram

Previous work in fair machine learning has characterised the Fair Bayes Optimal Classifier (BOC) on a given distribution for both deterministic and randomized classifiers. We study the robustness of the Fair BOC to adversarial noise in the data distribution. Kearns & Li (1988) implies that the accuracy of the deterministic BOC without any fairness constraints is robust (Lipschitz) to malicious noise in the data distribution. We demonstrate that their robustness guarantee breaks down when we add fairness constraints. Hence, we consider the randomized Fair BOC, and our central result is that its accuracy is robust to malicious noise in the data distribution. Our robustness result applies to various fairness constraints---Demographic Parity, Equal Opportunity, Predictive Equality. Beyond robustness, we demonstrate that randomization leads to better accuracy and efficiency. We show that the randomized Fair BOC is nearly-deterministic, and gives randomized predictions on at most one data point, hence availing numerous benefits of randomness, while using very little of it.

Optimization

Yeqing Qiu, Ye XUE, Akang Wang, Yiheng Wang, Qingjiang Shi, Zhiquan Luo

The Max-$k$-Cut problem is a fundamental combinatorial optimization challenge that generalizes the classic $\mathcal{NP}$-complete Max-Cut problem. While relaxation techniques are commonly employed to tackle Max-$k$-Cut, they often lack guarantees of equivalence between the solutions of the original problem and its relaxation. To address this issue, we introduce the Relax-Optimize-and-Sample (ROS) framework. In particular, we begin by relaxing the discrete constraints to the continuous probability simplex form. Next, we pre-train and fine-tune a graph neural network model to efficiently optimize the relaxed problem. Subsequently, we propose a sampling-based construction algorithm to map the continuous solution back to a high-quality Max-$k$-Cut solution. By integrating geometric landscape analysis with statistical theory, we establish the consistency of function values between the continuous solution and its mapped counterpart. Extensive experimental results on random regular graphs and the Gset benchmark demonstrate that the proposed ROS framework effectively scales to large instances with up to $20,000$ nodes in just a few seconds, outperforming state-of-the-art algorithms. Furthermore, ROS exhibits strong generalization capabilities across both in-distribution and out-of-distribution instances, underscoring its effectiveness for large-scale optimization tasks.

Social Aspects · Accountability, Transparency, and Interpretability

Lucy Farnik, Tim Lawson, Conor Houghton, Laurence Aitchison

Sparse autoencoders (SAEs) have been successfully used to discover sparse and human-interpretable representations of the latent activations of language models (LLMs). However, we would ultimately like to understand the computations performed by LLMs and not just their representations. The extent to which SAEs can help us understand computations is unclear because they are not designed to “sparsify” computations in any sense, only latent activations. To solve this, we propose Jacobian sparse autoencoders (JSAEs), which yield not only sparsity in the input and output activations of a given model component but also sparsity in the computation (formally, the Jacobian) connecting them. With a naïve implementation, the Jacobians in LLMs would be computationally intractable due to their size. Our key technical contribution is thus finding an efficient way of computing Jacobians in this setup. We find that JSAEs extract a relatively large degree of computational sparsity while preserving downstream LLM performance approximately as well as traditional SAEs. We also show that JSAEs achieve a greater degree of computational sparsity on pre-trained LLMs than on the equivalent randomized LLM. This shows that the sparsity of the computational graph appears to be a property that LLMs learn through training, and suggests that JSAEs might be more suitable for understanding learned transformer computations than standard SAEs.

Applications · Computer Vision

Qianxiong Xu, Lanyun Zhu, Xuanyi Liu, Guosheng Lin, Cheng Long, Ziyue Li, Rui Zhao

Few-Shot Segmentation (FSS) aims to learn class-agnostic segmentation on few classes to segment arbitrary classes, but at the risk of overfitting. To address this, some methods use the well-learned knowledge of foundation models (e.g., SAM) to simplify the learning process. Recently, SAM 2 has extended SAM by supporting video segmentation, whose class-agnostic matching ability is useful to FSS. A simple idea is to encode support foreground (FG) features as memory, with which query FG features are matched and fused. Unfortunately, the FG objects in different frames of SAM 2's video data are always the same identity, while those in FSS are different identities, i.e., the matching step is incompatible. Therefore, we design Pseudo Prompt Generator to encode pseudo query memory, matching with query features in a compatible way. However, the memories can never be as accurate as the real ones, i.e., they are likely to contain incomplete query FG, and some unexpected query background (BG) features, leading to wrong segmentation. Hence, we further design Iterative Memory Refinement to fuse more query FG features into the memory, and devise a Support-Calibrated Memory Attention to suppress the unexpected query BG features in memory. Extensive experiments have been conducted on PASCAL-5$^i$ and COCO-20$^i$ to validate the effectiveness of our design, e.g., the 1-shot mIoU can be 4.2\% better than the best baseline.

Social Aspects · Safety

Kazuki Egashira, Robin Staab, Mark Vero, Jingxuan He, Martin Vechev

With the increasing size of frontier LLMs, post-training quantization has become the standard for memory-efficient deployment. Recent work has shown that basic rounding-based quantization schemes pose security risks, as they can be exploited to inject malicious behaviors into quantized models that remain hidden in full precision. However, existing attacks cannot be applied to more complex quantization methods, such as the GGUF family used in the popular ollama and llama.cpp frameworks. In this work, we address this gap by introducing the first attack on GGUF. Our key insight is that the quantization error -- the difference between the full-precision weights and their (de-)quantized version -- provides sufficient flexibility to construct malicious quantized models that appear benign in full precision. Leveraging this, we develop an attack that trains the target malicious LLM while constraining its weights based on quantization errors. We demonstrate the effectiveness of our attack on three popular LLMs across nine GGUF quantization data types on three diverse attack scenarios: insecure code generation ($\Delta$=$88.7\%$), targeted content injection ($\Delta$=$85.0\%$), and benign instruction refusal ($\Delta$=$30.1\%$). Our attack highlights that (1) the most widely used post-training quantization method is susceptible to adversarial interferences, and (2) the complexity of quantization schemes alone is insufficient as a defense.

Applications · Health / Medicine

David Dai, Peilin Chen, Malinda Lu, Daniel A. Li, Haowen Wei, Hejie Cui, Paul Pu Liang

Recent advances in clinical AI have enabled remarkable progress across many clinical domains. However, existing benchmarks and models are primarily limited to a small set of modalities and tasks, which hinders the development of large-scale multimodal methods that can make holistic assessments of patient health and well-being. To bridge this gap, we introduce Clinical Large-scale Integrative Multimodal Benchmark (CLIMB), a comprehensive clinical benchmark unifying diverse clinical data across imaging, language, temporal, and graph modalities. CLIMB comprises 4.51 million patient samples totaling 19.01 terabytes distributed across 2D imaging, 3D video, time series, graphs, and multimodal data. Through extensive empirical evaluation, we demonstrate that multitask pretraining significantly improves performance on understudied domains, achieving up to 29% improvement in ultrasound and 23% in ECG analysis over single-task learning. Pretraining on CLIMB also effectively improves models' generalization capability to new tasks, and strong unimodal encoder performance translates well to multimodal performance when paired with task-appropriate fusion strategies. Our findings provide a foundation for new architecture designs and pretraining strategies to adavance clinical AI research. Code is released at https://github.com/DDVD233/climb.

General Machine Learning · Online Learning, Active Learning and Bandits

Yu-Jie Zhang, Peng Zhao, Masashi Sugiyama

Non-stationary online learning has drawn much attention in recent years. Despite considerable progress, dynamic regret minimization has primarily focused on convex functions, leaving the functions with stronger curvature (e.g., squared or logistic loss) underexplored. In this work, we address this gap by showing that the regret can be substantially improved by leveraging the concept of mixability, a property that generalizes exp-concavity to effectively capture loss curvature. Let $d$ denote the dimensionality and $P_T$ the path length of comparators that reflects the environmental non-stationarity. We demonstrate that an exponential-weight method with fixed-share updates achieves an $\mathcal{O}(d T^{1/3} P_T^{2/3} \log T)$ dynamic regret for mixable losses, improving upon the best-known $\mathcal{O}(d^{10/3} T^{1/3} P_T^{2/3} \log T)$ result (Baby & Wang, 2021) in $d$. More importantly, this improvement arises from a simple yet powerful analytical framework that exploits the mixability, which avoids the Karush–Kuhn–Tucker-based analysis required by existing work.

Probabilistic Methods · Monte Carlo and Sampling Methods

Severi Rissanen, RuiKang OuYang, Jiajun He, Wenlin Chen, Markus Heinonen, Arno Solin, Jose Miguel Hernandez-Lobato

Recent research has focused on designing neural samplers that amortize the process of sampling from unnormalized densities. However, despite significant advancements, they still fall short of the state-of-the-art MCMC approach, Parallel Tempering (PT), when it comes to the efficiency of target evaluations. On the other hand, unlike a well-trained neural sampler, PT yields only dependent samples and needs to be rerun---at considerable computational cost---whenever new samples are required. To address these weaknesses, we propose the Progressive Tempering Sampler with Diffusion (PTSD), which trains diffusion models sequentially across temperatures, leveraging the advantages of PT to improve the training of neural samplers. We also introduce a novel method to combine high-temperature diffusion models to generate approximate lower-temperature samples, which are minimally refined using MCMC and used to train the next diffusion model. PTSD enables efficient reuse of sample information across temperature levels while generating well-mixed, uncorrelated samples. Our method significantly improves target evaluation efficiency,outperforming diffusion-based neural samplers.

Deep Learning · Large Language Models

Jiwoo Hong, Noah Lee, Eunki Kim, Guijin Son, Woojin Chung, Aman Gupta, Shao Tang, James Thorne

The Bradley-Terry (BT) model is widely practiced in reward modeling for reinforcement learning with human feedback (RLHF). Despite its effectiveness, reward models (RMs) trained with BT model loss as one-way classifiers are prone to over-optimization, losing generalizability to unseen inputs. In this paper, we study the cause of over-optimization and its downstream effects on the RLHF procedure, highlighting the importance of robustness in RMs. First, we show that the excessive dispersion of hidden state norms is the main source of over-optimization. Correspondingly, we propose batch-wise sum-to-zero regularization (BSR) that enforces reward sum for each batch to be zero-centered, constraining the rewards with abnormally large magnitudes. We assess the impact of BSR in improving robustness in RMs through four scenarios of over-optimization, where BSR consistently manifests better robustness on unseen inputs. Then, we compare the plain BT model and BSR on RLHF training and empirically show that robust RMs better align the policy to the gold preference model. Finally, we apply BSR to high-quality data and models, which surpasses state-of-the-art RMs in the 8B scale by adding more than 5\% in complex preference prediction tasks. By conducting RLOO training with 8B RMs, AlpacaEval 2.0, with reducing generation length by 40\% while adding a 7\% increase in win rate, further highlights that robustness in RMs induces robustness in RLHF training.

Deep Learning · Generative Models and Autoencoders

Haoye Lu, Qifan Wu, Yaoliang Yu

Recent diffusion-based generative models achieve remarkable results by training on massive datasets, yet this practice raises concerns about memorization and copyright infringement. A proposed remedy is to train exclusively on noisy data with potential copyright issues, ensuring the model never observes original content. However, through the lens of deconvolution theory, we show that although it is theoretically feasible to learn the data distribution from noisy samples, the practical challenge of collecting sufficient samples makes successful learning nearly unattainable. To overcome this limitation, we propose to pretrain the model with a small fraction of clean data to guide the deconvolution process. Combined with our Stochastic Forward--Backward Deconvolution (SFBD) method, we attain FID 6.31 on CIFAR-10 with just 4% clean images (and 3.58 with 10%). We also provide theoretical guarantees that SFBD learns the true data distribution. These results underscore the value of limited clean pretraining, or pretraining on similar datasets. Empirical studies further validate and enrich our findings.

General Machine Learning · Transfer, Multitask and Meta-learning

Chen Huang, Skyler Seto, Hadi Pouransari, Mehrdad Farajtabar, Raviteja Vemulapalli, Fartash Faghri, Oncel Tuzel, Barry-John Theobald, Joshua M Susskind

Vision foundation models pre-trained on massive data encode rich representations of real-world concepts, which can be adapted to downstream tasks by fine-tuning. However, fine-tuning foundation models on one task often leads to the issue of *concept forgetting* on other tasks. Recent methods of robust fine-tuning aim to mitigate forgetting of prior knowledge without affecting the fine-tuning performance. Knowledge is often preserved by matching the original and fine-tuned model weights or feature pairs. However, such point-wise matching can be too strong, without explicit awareness of the feature neighborhood structures that encode rich knowledge as well. We propose a novel regularization method **Proxy-FDA** that explicitly preserves the structural knowledge in feature space. Proxy-FDA performs Feature Distribution Alignment (using nearest neighbor graphs) between the pre-trained and fine-tuned feature spaces, and the alignment is further improved by informative proxies that are generated dynamically to increase data diversity. Experiments show that Proxy-FDA significantly reduces concept forgetting during fine-tuning, and we find a strong correlation between forgetting and a distributional distance metric (in comparison to L2 distance). We further demonstrate Proxy-FDA's benefits in various fine-tuning settings (end-to-end, few-shot and continual tuning) and across different tasks like image classification, captioning and VQA.

Social Aspects · Safety

Mahavir Dabas, Si Chen, Charles Fleming, Ming Jin, Ruoxi Jia

Safety alignment is crucial for Large Language Models (LLMs) to resist malicious instructions but often results in over-refusals, where benign prompts are unnecessarily rejected, impairing user experience and model utility. To this end, we introduce **ACTOR** (Activation-Based Training for Over-Refusal Reduction), a robust and compute- and-data efficient training framework that mini- mizes over-refusals by utilizing internal activation patterns from diverse queries. ACTOR precisely identifies and adjusts the activation components that trigger refusals, providing stronger control over the refusal mechanism. By fine-tuning only a single model layer, ACTOR effectively reduces over-refusals across multiple benchmarks while maintaining the model’s ability to handle harmful queries and preserving overall utility.

Deep Learning · Large Language Models

Yuxiao Qu, Matthew Yang, Amrith Setlur, Lewis Tunstall, Edward Beeching, Russ Salakhutdinov, Aviral Kumar

Training models to efficiently use test-time compute is crucial for improving the reasoning performance of LLMs. While current methods mostly do so via fine-tuning on search traces or running RL against the 0/1 outcome reward, do these approaches efficiently utilize test-time compute? Would these approaches continue to scale as the budget improves? In this paper, we try to answer these questions. We formalize the problem of optimizing test-time compute as a meta reinforcement learning (RL) problem, which provides a principled perspective on spending test-time compute from the lens of exploration and exploitation. It also motivates the use of cumulative regret to measure the efficacy of test-time compute by viewing a long output stream as consisting of several episodes from the model. While current state-of-the-art models do not optimize regret, we show that regret can be minimized by running final 0/1 reward RL regularized by a dense reward bonus, given by the "information gain" from each subsequent block in the output stream. We prescribe an approach for quantifying information gain, which measures the utility of an intermediate segment of tokens towards improving accuracy of the final answer. We instantiate this idea to develop MRT, a new class of finetuning methods for optimizing test-time compute. Fine-tuning with MRT leads to substantial improvements in both performance and token efficiency on the AIME dataset.

General Machine Learning · Representation Learning

Antonio Almudévar, Jose Miguel Hernandez-Lobato, Sameer Khurana, Ricard Marxer, Alfonso Ortega

Contrastive losses have been extensively used as a tool for multimodal representation learning. However, it has been empirically observed that their use is not effective to learn an aligned representation space.In this paper, we argue that this phenomenon is caused by the presence of modality-specific information in the representation space. Although some of the most widely used contrastive losses maximize the mutual information between representations of both modalities, they are not designed to remove the modality-specific information.We give a theoretical description of this problem through the lens of the Information Bottleneck Principle. We also empirically analyze how different hyperparameters affect the emergence of this phenomenon in a controlled experimental setup.Finally, we propose a regularization term in the loss function that is derived by means of a variational approximation and aims to increase the representational alignment.We analyze in a set of controlled experiments and real-world applications the advantages of including this regularization term.

Social Aspects · Privacy

Nurbek Tastan, Samuel Horváth, Karthik Nandakumar

Collaborative learning enables multiple participants to learn a single global model by exchanging focused updates instead of sharing data. One of the core challenges in collaborative learning is ensuring that participants are rewarded fairly for their contributions, which entails two key sub-problems: contribution assessment and reward allocation. This work focuses on fair reward allocation, where the participants are incentivized through model rewards - differentiated final models whose performance is commensurate with the contribution. In this work, we leverage the concept of slimmable neural networks to collaboratively learn a shared global model whose performance degrades gracefully with a reduction in model width. We also propose a post-training fair allocation algorithm that determines the model width for each participant based on their contributions. We theoretically study the convergence of our proposed approach and empirically validate it using extensive experiments on different datasets and architectures. We also extend our approach to enable training-time model reward allocation.

Deep Learning · Foundation Models

Yanbo Wang, Xiyuan Wang, Quan Gan, Minjie Wang, Qibin Yang, David Wipf, Muhan Zhang

We introduce Griffin, the first foundation model attemptation designed specifically for Relational Databases (RDBs). Unlike previous smaller models focused on single RDB tasks, Griffin unifies the data encoder and task decoder to handle diverse tasks. Additionally, we enhance the architecture by incorporating a cross-attention module and a novel aggregator. Griffin utilizes pretraining on both single-table and RDB datasets, employing advanced encoders for categorical, numerical, and metadata features, along with innovative components such as cross-attention modules and enhanced message-passing neural networks (MPNNs) to capture the complexities of relational data. Evaluated on large-scale, heterogeneous, and temporal graphs extracted from RDBs across various domains (spanning over 150 million nodes), Griffin demonstrates superior or comparable performance to individually trained models, excels in low-data scenarios, and shows strong transferability with similarity and diversity in pretraining across new datasets and tasks, highlighting its potential as a universally applicable foundation model for RDBs. Code available at https://github.com/yanxwb/Griffin.

General Machine Learning · Transfer, Multitask and Meta-learning

Daniel Marczak, Simone Magistri, Sebastian Cygert, Bartłomiej Twardowski, Andrew Bagdanov, Joost van de Weijer

Model merging integrates the weights of multiple task-specific models into a single multi-task model. Despite recent interest in the problem, a significant performance gap between the combined and single-task models remains. In this paper, we investigate the key characteristics of task matrices -- weight update matrices applied to a pre-trained model -- that enable effective merging. We show that alignment between singular components of task-specific and merged matrices strongly correlates with performance improvement over the pre-trained model. Based on this, we propose an isotropic merging framework that flattens the singular value spectrum of task matrices, enhances alignment, and reduces the performance gap. Additionally, we incorporate both common and task-specific subspaces to further improve alignment and performance. Our proposed approach achieves state-of-the-art performance on vision and language tasks across various sets of tasks and model scales. This work advances the understanding of model merging dynamics, offering an effective methodology to merge models without requiring additional training.