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Deep Learning · Representation Learning

Sho Yokoi, Han Bao, Hiroto Kurita, Hidetoshi Shimodaira

The word embedding space in neural models is skewed, and correcting this can improve task performance.We point out that most approaches for modeling, correcting, and measuring the symmetry of an embedding space implicitly assume that the word frequencies are *uniform*; in reality, word frequencies follow a highly non-uniform distribution, known as *Zipf's law*.Surprisingly, simply performing PCA whitening weighted by the empirical word frequency that follows Zipf's law significantly improves task performance, surpassing established baselines.From a theoretical perspective, both our approach and existing methods can be clearly categorized: word representations are distributed according to an exponential family with either uniform or Zipfian base measures.By adopting the latter approach, we can naturally emphasize informative low-frequency words in terms of their vector norm, which becomes evident from the information-geometric perspective (Oyama et al., EMNLP 2023), and in terms of the loss functions for imbalanced classification (Menon et al. ICLR 2021).Additionally, our theory corroborates that popular natural language processing methods, such as skip-gram negative sampling (Mikolov et al., NIPS 2013), WhiteningBERT (Huang et al., Findings of EMNLP 2021), and headless language models (Godey et al., ICLR 2024), work well just because their word embeddings encode the empirical word frequency into the underlying probabilistic model.

Generative Models · In Context Learning

Chengshuai Shi, Kun Yang, Jing Yang, Cong Shen

The in-context learning (ICL) capability of pre-trained models based on the transformer architecture has received growing interest in recent years. While theoretical understanding has been obtained for ICL in reinforcement learning (RL), the previous results are largely confined to the single-agent setting. This work proposes to further explore the in-context learning capabilities of pre-trained transformer models in competitive multi-agent games, i.e., in-context game-playing (ICGP). Focusing on the classical two-player zero-sum games, theoretical guarantees are provided to demonstrate that pre-trained transformers can provably learn to approximate Nash equilibrium in an in-context manner for both decentralized and centralized learning settings. As a key part of the proof, constructional results are established to demonstrate that the transformer architecture is sufficiently rich to realize celebrated multi-agent game-playing algorithms, in particular, decentralized V-learning and centralized VI-ULCB.

Optimization · Optimization and Learning under Uncertainty

Xinyi HU, Jasper Lee, Jimmy Lee, Peter Stuckey

The recently-proposed framework of Predict+Optimize tackles optimization problems with parameters that are unknown at solving time, in a supervised learning setting. Prior frameworks consider only the scenario where all unknown parameters are (eventually) revealed simultaneously. In this work, we propose Multi-Stage Predict+Optimize, a novel extension catering to applications where unknown parameters are revealed in sequential stages, with optimization decisions made in between. We further develop three training algorithms for neural networks (NNs) for our framework as proof of concept, both of which handle all mixed integer linear programs. The first baseline algorithm is a natural extension of prior work, training a single NN which makes a single prediction of unknown parameters. The second and third algorithms instead leverage the possibility of updating parameter predictions between stages, and trains one NN per stage. To handle the interdependency between the neural networks, we adopt sequential and parallelized versions of coordinate descent for training. Experimentation on three benchmarks demonstrates the superior learning performance of our methods over classical approaches.

Generative Models

Yuhong Li, Yingbing Huang, Bowen Yang, Bharat Venkitesh, Acyr Locatelli, Hanchen Ye, Tianle Cai, Patrick Lewis, Deming Chen

Large Language Models (LLMs) have made remarkable progress in processing extensive contexts, with the Key-Value (KV) cache playing a vital role in enhancing their performance. However, the growth of the KV cache in response to increasing input length poses challenges to memory and time efficiency. To address this problem, this paper introduces SnapKV, an innovative and fine-tuning-free approach that efficiently minimizes KV cache size while still delivering comparable performance in real-world applications.We discover that each attention head in the model consistently focuses on specific prompt attention features during generation. Meanwhile, this robust pattern can be obtained from an `observation' window located at the end of the prompts. Drawing on this insight, SnapKV automatically compresses KV caches by selecting clustered important KV positions for each attention head. Our approach significantly reduces the growing computational overhead and memory footprint when processing long input sequences. Specifically, SnapKV achieves a consistent decoding speed with a 3.6x increase in generation speed and an 8.2x enhancement in memory efficiency compared to baseline when processing inputs of 16K tokens. At the same time, it maintains comparable performance to baseline models across 16 long sequence datasets. Moreover, SnapKV can process up to 380K context tokens on a single A100-80GB GPU using HuggingFace implementation with minor changes, exhibiting only a negligible accuracy drop in the Needle-in-a-Haystack test. Further comprehensive studies suggest SnapKV's potential for practical applications.

Deep Learning · Everything Else

Linus Ericsson, Miguel Espinosa Minano, Chenhongyi Yang, Antreas Antoniou, Amos Storkey, Shay Cohen, Steven McDonagh, Elliot Crowley

Neural architecture search (NAS) finds high performing networks for a given task. Yet the results of NAS are fairly prosaic; they did not e.g. create a shift from convolutional structures to transformers. This is not least because the search spaces in NAS often aren’t diverse enough to include such transformations *a priori*. Instead, for NAS to provide greater potential for fundamental design shifts, we need a novel expressive search space design which is built from more fundamental operations. To this end, we introduce `einspace`, a search space based on a parameterised probabilistic context-free grammar. Our space is versatile, supporting architectures of various sizes and complexities, while also containing diverse network operations which allow it to model convolutions, attention components and more. It contains many existing competitive architectures, and provides flexibility for discovering new ones. Using this search space, we perform experiments to find novel architectures as well as improvements on existing ones on the diverse Unseen NAS datasets. We show that competitive architectures can be obtained by searching from scratch, and we consistently find large improvements when initialising the search with strong baselines. We believe that this work is an important advancement towards a transformative NAS paradigm where search space expressivity and strategic search initialisation play key roles.

Optimization · Discrete and Combinatorial Optimization

Joseph Cotnareanu, Zhanguang Zhang, Hui-Ling Zhen, Yingxue Zhang, Mark Coates

Efficiently determining the satisfiability of a boolean equation --- known as the SAT problem for brevity --- is crucial in various industrial problems. Recently, the advent of deep learning methods has introduced significant potential for enhancing SAT solving. However, a major barrier to the advancement of this field has been the scarcity of large, realistic datasets. The majority of current public datasets are either randomly generated or extremely limited, containing only a few examples from unrelated problem families. These datasets are inadequate for meaningful training of deep learning methods. In light of this, researchers have started exploring generative techniques to create data that more accurately reflect SAT problems encountered in practical situations. These methods have so far suffered from either the inability to produce challenging SAT problems or time-scalability obstacles. In this paper we address both by identifying and manipulating the key contributors to a problem's ``hardness'', known as cores. Although some previous work has addressed cores, the time costs are unacceptably high due to the expense of traditional heuristic core detection techniques. We introduce a fast core detection procedure that uses a graph neural network. Our empirical results demonstrate that we can efficiently generate problems that remain hard to solve and retain key attributes of the original example problems. We show via experiment that the generated synthetic SAT problems can be used in a data augmentation setting to provide improved prediction of solver runtimes.

Multimodal Models

Yuxuan Qiao, Haodong Duan, Xinyu Fang, Junming Yang, Lin Chen, Songyang Zhang, Jiaqi Wang, Dahua Lin, Kai Chen

Vision Language Models (VLMs) demonstrate remarkable proficiency in addressing a wide array of visual questions, which requires strong perception and reasoning faculties. Assessing these two competencies independently is crucial for model refinement, despite the inherent difficulty due to the intertwined nature of seeing and reasoning in existing VLMs. To tackle this issue, we present Prism, an innovative framework designed to disentangle the perception and reasoning processes involved in visual question solving. Prism comprises two distinct stages: a perception stage that utilizes a VLM to extract and articulate visual information in textual form, and a reasoning stage that formulates responses based on the extracted visual information using a Large Language Model (LLM). This modular design enables the systematic comparison and assessment of both proprietary and open-source VLM for their perception and reasoning strengths. Our analytical framework provides several valuable insights, underscoring Prism's potential as a cost-effective solution for vision-language tasks.By combining a streamlined VLM focused on perception with a powerful LLM tailored for reasoning, Prism achieves superior results in general vision-language tasks while substantially cutting down on training and operational expenses. Quantitative evaluations show that Prism, when configured with a vanilla 2B LLaVA and freely accessible GPT-3.5, delivers performance on par with VLMs $10 \times$ larger on the rigorous multimodal benchmark MMStar.

Generative Models · Diffusion models

Haowei Zhu, Dehua Tang, Ji Liu, Mingjie Lu, Jintu Zheng, Jinzhang Peng, Dong Li, Yu Wang, Fan Jiang, Lu Tian 等

Diffusion models have achieved remarkable progress in the field of image generation due to their outstanding capabilities. However, these models require substantial computing resources because of the multi-step denoising process during inference. While traditional pruning methods have been employed to optimize these models, the retraining process necessitates large-scale training datasets and extensive computational costs to maintain generalization ability, making it neither convenient nor efficient. Recent studies attempt to utilize the similarity of features across adjacent denoising stages to reduce computational costs through simple and static strategies. However, these strategies cannot fully harness the potential of the similar feature patterns across adjacent timesteps. In this work, we propose a novel pruning method that derives an efficient diffusion model via a more intelligent and differentiable pruner. At the core of our approach is casting the model pruning process into a SubNet search process. Specifically, we first introduce a SuperNet based on standard diffusion via adding some backup connections built upon the similar features. We then construct a plugin pruner network and design optimization losses to identify redundant computation. Finally, our method can identify an optimal SubNet through few-step gradient optimization and a simple post-processing procedure. We conduct extensive experiments on various diffusion models including Stable Diffusion series and DiTs. Our DiP-GO approach achieves 4.4 x speedup for SD-1.5 without any loss of accuracy, significantly outperforming the previous state-of-the-art methods.

Fairness

Qinyi Chen, Jason Cheuk Nam Liang, Negin Golrezaei, Djallel Bouneffouf

Today's online platforms heavily lean on algorithmic recommendations for bolstering user engagement and driving revenue. However, these recommendations can impact multiple stakeholders simultaneously---the platform, items (sellers), and users (customers)---each with their unique objectives, making it difficult to find the right middle ground that accommodates all stakeholders. To address this, we introduce a novel fair recommendation framework, Problem (FAIR), that flexibly balances multi-stakeholder interests via a constrained optimization formulation. We next explore Problem (FAIR) in a dynamic online setting where data uncertainty further adds complexity, and propose a low-regret algorithm FORM that concurrently performs real-time learning and fair recommendations, two tasks that are often at odds. Via both theoretical analysis and a numerical case study on real-world data, we demonstrate the efficacy of our framework and method in maintaining platform revenue while ensuring desired levels of fairness for both items and users.

Deep Learning · Everything Else

Paul Krzakala, Junjie Yang, Rémi Flamary, Florence d'Alché-Buc, Charlotte Laclau, Matthieu Labeau

We propose Any2graph, a generic framework for end-to-end Supervised Graph Prediction (SGP) i.e. a deep learning model that predicts an entire graph for any kind of input. The framework is built on a novel Optimal Transport loss, the Partially-Masked Fused Gromov-Wasserstein, that exhibits all necessary properties (permutation invariance, differentiability and scalability) and is designed to handle any-sized graphs. Numerical experiments showcase the versatility of the approach that outperform existing competitors on a novel challenging synthetic dataset and a variety of real-world tasks such as map construction from satellite image (Sat2Graph) or molecule prediction from fingerprint (Fingerprint2Graph).

Computer Vision · Image Generation

Tianwei Yin, Michaël Gharbi, Taesung Park, Richard Zhang, Eli Shechtman, Fredo Durand, Bill Freeman

Recent approaches have shown promises distilling expensive diffusion models into efficient one-step generators.Amongst them, Distribution Matching Distillation (DMD) produces one-step generators that match their teacher in distribution, i.e., the distillation process does not enforce a one-to-one correspondence with the sampling trajectories of their teachers.However, to ensure stable training in practice, DMD requires an additional regression loss computed using a large set of noise--image pairs, generated by the teacher with many steps of a deterministic sampler.This is not only computationally expensive for large-scale text-to-image synthesis, but it also limits the student's quality, tying it too closely to the teacher's original sampling paths.We introduce DMD2, a set of techniques that lift this limitation and improve DMD training.First, we eliminate the regression loss and the need for expensive dataset construction.We show that the resulting instability is due to the "fake" critic not estimating the distribution of generated samples with sufficient accuracy and propose a two time-scale update rule as a remedy.Second, we integrate a GAN loss into the distillation procedure, discriminating between generated samples and real images.This lets us train the student model on real data, thus mitigating the imperfect "real" score estimation from the teacher model, and thereby enhancing quality.Third, we introduce a new training procedure that enables multi-step sampling in the student, andaddresses the training--inference input mismatch of previous work, by simulating inference-time generator samples during training. Taken together, our improvements set new benchmarks in one-step image generation, with FID scores of 1.28 on ImageNet-64×64 and 8.35 on zero-shot COCO 2014, surpassing the original teacher despite a 500X reduction in inference cost.Further, we show our approach can generate megapixel images by distilling SDXL, demonstrating exceptional visual quality among few-step methods, and surpassing the teacher. We release our code and pretrained models.

Computer Vision · Image Generation

Tianwei Yin, Michaël Gharbi, Taesung Park, Richard Zhang, Eli Shechtman, Fredo Durand, Bill Freeman

Recent approaches have shown promises distilling expensive diffusion models into efficient one-step generators.Amongst them, Distribution Matching Distillation (DMD) produces one-step generators that match their teacher in distribution, i.e., the distillation process does not enforce a one-to-one correspondence with the sampling trajectories of their teachers.However, to ensure stable training in practice, DMD requires an additional regression loss computed using a large set of noise--image pairs, generated by the teacher with many steps of a deterministic sampler.This is not only computationally expensive for large-scale text-to-image synthesis, but it also limits the student's quality, tying it too closely to the teacher's original sampling paths.We introduce DMD2, a set of techniques that lift this limitation and improve DMD training.First, we eliminate the regression loss and the need for expensive dataset construction.We show that the resulting instability is due to the "fake" critic not estimating the distribution of generated samples with sufficient accuracy and propose a two time-scale update rule as a remedy.Second, we integrate a GAN loss into the distillation procedure, discriminating between generated samples and real images.This lets us train the student model on real data, thus mitigating the imperfect "real" score estimation from the teacher model, and thereby enhancing quality.Third, we introduce a new training procedure that enables multi-step sampling in the student, andaddresses the training--inference input mismatch of previous work, by simulating inference-time generator samples during training. Taken together, our improvements set new benchmarks in one-step image generation, with FID scores of 1.28 on ImageNet-64×64 and 8.35 on zero-shot COCO 2014, surpassing the original teacher despite a 500X reduction in inference cost.Further, we show our approach can generate megapixel images by distilling SDXL, demonstrating exceptional visual quality among few-step methods, and surpassing the teacher. We release our code and pretrained models.

Robotics

Haoyu Dong, Huiqiao Fu, Wentao Xu, Zhehao Zhou, Chunlin Chen

Reinforcement Learning (RL) controllers have demonstrated remarkable performance in complex robot control tasks. However, the presence of reality gap often leads to poor performance when deploying policies trained in simulation directly onto real robots. Previous sim-to-real algorithms like Domain Randomization (DR) requires domain-specific expertise and suffers from issues such as reduced control performance and high training costs. In this work, we introduce Evolutionary Adversarial Simulator Identification (EASI), a novel approach that combines Generative Adversarial Network (GAN) and Evolutionary Strategy (ES) to address sim-to-real challenges. Specifically, we consider the problem of sim-to-real as a search problem, where ES acts as a generator in adversarial competition with a neural network discriminator, aiming to find physical parameter distributions that make the state transitions between simulation and reality as similar as possible. The discriminator serves as the fitness function, guiding the evolution of the physical parameter distributions. EASI features simplicity, low cost, and high fidelity, enabling the construction of a more realistic simulator with minimal requirements for real-world data, thus aiding in transferring simulated-trained policies to the real world. We demonstrate the performance of EASI in both sim-to-sim and sim-to-real tasks, showing superior performance compared to existing sim-to-real algorithms.

Causality

Marah Ghoummaid, Uri Shalit

We consider the task of learning how to act in collaboration with a human expert based on observational data. The task is motivated by high-stake scenarios such as healthcare and welfare where algorithmic action recommendations are made to a human expert, opening the option of deferring making a recommendation in cases where the human might act better on their own. This task is especially challenging when dealing with observational data, as using such data runs the risk of hidden confounders whose existence can lead to biased and harmful policies. However, unlike standard policy learning, the presence of a human expert can mitigate some of these risks. We build on the work of Mozannar and Sontag (2020) on consistent surrogate loss for learning with the option of deferral to an expert, where they solve a cost-sensitive supervised classification problem. Since we are solving a causal problem, where labels don’t exist, we use a causal model to learn costs which are robust to a bounded degree of hidden confounding. We prove that our approach can take advantage of the strengths of both the model and the expert to obtain a better policy than either. We demonstrate our results by conducting experiments on synthetic and semi-synthetic data and show the advantages of our method compared to baselines.

Generative Models · Reasoning

Nathaniel Weir, Muhammad Khalifa, Linlu Qiu, Orion Weller, Peter Clark

Program synthesis with language models (LMs) has unlocked a large set of reasoning abilities; code-tuned LMs have proven adept at generating programs that solve a wide variety of algorithmic symbolic manipulation tasks (e.g. word concatenation). However, not all reasoning tasks are easily expressible as code, e.g. tasks involving commonsense reasoning, moral decision-making, and sarcasm understanding. Our goal is to extend a LM’s program synthesis skills to such tasks and evaluate the results via pseudo-programs, namely Python programs where some leaf function calls are left undefined. To that end, we propose, Code Generation and Emulated EXecution (COGEX). COGEX works by (1) training LMs to generate pseudo-programs and (2) teaching them to emulate their generated program’s execution, including those leaf functions, allowing the LM’s knowledge to fill in the execution gaps; and (3) using them to search over many programs to find an optimal one. To adapt the COGEX model to a new task, we introduce a method for performing program search to find a single program whose pseudo-execution yields optimal performance when applied to all the instances of a given dataset. We show that our approach yields large improvements compared to standard in-context learning approaches on a battery of tasks, both algorithmic and soft reasoning. This result thus demonstrates that code synthesis can be applied to a much broader class of problems than previously considered.

Learning Theory

Omar Montasser, Han Shao, Emmanuel Abbe

Learning with identical train and test distributions has been extensively investigated both practically and theoretically. Much remains to be understood, however, in statistical learning under distribution shifts. This paper focuses on a distribution shift setting where train and test distributions can be related by classes of (data) transformation maps. We initiate a theoretical study for this framework, investigating learning scenarios where the target class of transformations is either known or unknown. We establish learning rules and algorithmic reductions to Empirical Risk Minimization (ERM), accompanied with learning guarantees. We obtain upper bounds on the sample complexity in terms of the VC dimension of the class composing predictors with transformations, which we show in many cases is not much larger than the VC dimension of the class of predictors. We highlight that the learning rules we derive offer a game-theoretic viewpoint on distribution shift: a learner searching for predictors and an adversary searching for transformation maps to respectively minimize and maximize the worst-case loss.

Causality

Alexis Bellot, Silvia Chiappa

As many practical fields transition to provide personalized decisions, data is increasingly relevant to support the evaluation of candidate plans and policies (e.g., guidelines for the treatment of disease, government directives, etc.). In the machine learning literature, significant efforts have been put into developing machinery to predict the effectiveness of policies efficiently. The challenge is that, in practice, the effectiveness of a candidate policy is not always identifiable, i.e., not uniquely estimable from the combination of the available data and assumptions about the domain at hand (e.g., encoded in a causal graph). In this paper, we develop graphical characterizations and estimation tools to bound the effect of policies given a causal graph and observational data collected in non-identifiable settings. Specifically, our contributions are two-fold: (1) we derive analytical bounds for general probabilistic and conditional policies that are tighter than existing results, (2) we develop an estimation framework to estimate bounds from finite samples, applicable in higher-dimensional spaces and continuously-valued data. We further show that the resulting estimators have favourable statistical properties such as fast convergence and robustness to model misspecification.

Huy Hoang, Tien Mai, Pradeep Varakantham

We focus on offline imitation learning (IL), which aims to mimic an expert's behavior using demonstrations without any interaction with the environment. One of the main challenges in offline IL is the limited support of expert demonstrations, which typically cover only a small fraction of the state-action space. While it may not be feasible to obtain numerous expert demonstrations, it is often possible to gather a larger set of sub-optimal demonstrations. For example, in treatment optimization problems, there are varying levels of doctor treatments available for different chronic conditions. These range from treatment specialists and experienced general practitioners to less experienced general practitioners. Similarly, when robots are trained to imitate humans in routine tasks, they might learn from individuals with different levels of expertise and efficiency. In this paper, we propose an offline IL approach that leverages the larger set of sub-optimal demonstrations while effectively mimicking expert trajectories. Existing offline IL methods based on behavior cloning or distribution matching often face issues such as overfitting to the limited set of expert demonstrations or inadvertently imitating sub-optimal trajectories from the larger dataset. Our approach, which is based on inverse soft-Q learning, learns from both expert and sub-optimal demonstrations. It assigns higher importance (through learned weights) to aligning with expert demonstrations and lower importance to aligning with sub-optimal ones. A key contribution of our approach, called SPRINQL, is transforming the offline IL problem into a convex optimization over the space of Q functions. Through comprehensive experimental evaluations, we demonstrate that the SPRINQL algorithm achieves state-of-the-art (SOTA) performance on offline IL benchmarks. Code is available at https://github.com/hmhuy0/SPRINQL .

ZHUOFAN ZONG, Bingqi Ma, Dazhong Shen, Guanglu Song, Hao Shao, DONGZHI JIANG, Hongsheng Li, Yu Liu

As the key component in multimodal large language models (MLLMs), the ability of the visual encoder greatly affects MLLM's understanding on diverse image content. Although some large-scale pretrained vision encoders such as vision encoders in CLIP and DINOv2 have brought promising performance, we found that there is still no single vision encoder that can dominate various image content understanding, e.g., the CLIP vision encoder leads to outstanding results on general image understanding but poor performance on document or chart content. To alleviate the bias of CLIP vision encoder, we first delve into the inherent behavior of different pre-trained vision encoders and then propose the MoVA, a powerful and novel MLLM, adaptively routing and fusing task-specific vision experts with a coarse-to-fine mechanism. In the coarse-grained stage, we design a context-aware expert routing strategy to dynamically select the most suitable vision experts according to the user instruction, input image, and expertise of vision experts. This benefits from the powerful model function understanding ability of the large language model (LLM). In the fine-grained stage, we elaborately conduct the mixture-of-vision-expert adapter (MoV-Adapter) to extract and fuse task-specific knowledge from various experts. This coarse-to-fine paradigm effectively leverages representations from experts based on multimodal context and model expertise, further enhancing the generalization ability. We conduct extensive experiments to evaluate the effectiveness of the proposed approach. Without any bells and whistles, MoVA can achieve significant performance gains over current state-of-the-art methods in a wide range of challenging multimodal benchmarks.

Deep Learning · Everything Else

Vijay Chandra Lingam, Atula Neerkaje, Aditya Vavre, Aneesh Shetty, Gautham Krishna Gudur, Joydeep Ghosh, Eunsol Choi, Alex Dimakis, Aleksandar Bojchevski, Sujay Sanghavi

Popular parameter-efficient fine-tuning (PEFT) methods, such as LoRA and its variants, freeze pre-trained model weights $\(\mathbf{W}\)$ and inject learnable matrices $\(\mathbf{\Delta W}\)$. These $\(\mathbf{\Delta W}\)$ matrices are structured for efficient parameterization, often using techniques like low-rank approximations or scaling vectors. However, these methods typically exhibit a performance gap compared to full fine-tuning. While recent PEFT methods have narrowed this gap, they do so at the expense of additional learnable parameters. We propose SVFT, a *simple* approach that structures $\(\mathbf{\Delta W}\)$ based on the specific weight matrix $\(\mathbf{W}\)$. SVFT updates $\(\mathbf{W}\)$ as a sparse combination $\(M\)$ of outer products of its singular vectors, training only the coefficients of these combinations. Crucially, we make additional off-diagonal elements in $M$ learnable, enabling a smooth trade-off between trainable parameters and expressivity—an aspect that distinctly sets our approach apart from previous works leveraging singular values. Extensive experiments on language and vision benchmarks show that SVFT recovers up to **96%** of full fine-tuning performance while training only **0.006 to 0.25%** of parameters, outperforming existing methods that achieve only up to **{85\%}** performance with **0.03 to 0.8%** of the trainable parameter budget.