In this paper, we present InfoMax, a novel data pruning method, also known as coreset selection, designed to maximize the information content of selected samples while minimizing redundancy. By doing so, InfoMax enhances the overall informativeness of the coreset. The information of individual samples is measured by importance scores, which capture their influence or difficulty in model learning. To quantify redundancy, we use pairwise sample similarities, based on the premise that similar samples contribute similarly to the learning process.We formalize the coreset selection problem as a discrete quadratic programming (DQP) task, with the objective of maximizing the total information content, represented as the sum of individual sample contributions minus the redundancies introduced by similar samples within the coreset.To ensure practical scalability, we introduce an efficient gradient-based solver, complemented by sparsification techniques applied to the similarity matrix and dataset partitioning strategies. This enables InfoMax to seamlessly scale to datasets with millions of samples. Extensive experiments demonstrate the superior performance of InfoMax in various data pruning tasks, including image classification, vision-language pre-training, and instruction tuning for large language models.
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Deep Learning · Large Language Models
As the mainstream approach, LLMs have been widely applied and researched in TableQA tasks. Currently, the core of LLM-based TableQA methods typically include three phases: question decomposition, sub-question TableQA reasoning, and answer verification. However, several challenges remain in this process: i) Sub-questions generated by these methods often exhibit significant gaps with the original question due to critical information overlooked during the LLM's direct decomposition; ii) Verification of answers is typically challenging because LLMs tend to generate optimal responses during self-correct. To address these challenges, we propose a Triple-Inspired Decomposition and vErification (TIDE) strategy, which leverages the structural properties of triples to assist in decomposition and verification in TableQA. The inherent structure of triples (head entity, relation, tail entity) requires the LLM to extract as many entities and relations from the question as possible. Unlike direct decomposition methods that may overlook key information, our transformed sub-questions using triples encompass more critical details. Additionally, this explicit structure facilitates verification. By comparing the triples derived from the answers with those from the question decomposition, we can achieve easier and more straightforward validation than when relying on the LLM's self-correct tendencies. By employing triples alongside established LLM modes, Direct Prompting and Agent modes, TIDE achieves state-of-the-art performance across multiple TableQA datasets, demonstrating the effectiveness of our method.
Applications · Genetics, Cell Biology, Health, etc
Current approaches to genomic sequence modeling often struggle to align the inductive biases of machine learning models with the evolutionarily-informed structure of biological systems. To this end, we formulate a novel application of hyperbolic CNNs that exploits this structure, enabling more expressive DNA sequence representations. Our strategy circumvents the need for explicit phylogenetic mapping while discerning key properties of sequences pertaining to core functional and regulatory behavior. Across 37 out of 42 genome interpretation benchmark datasets, our hyperbolic models outperform their Euclidean equivalents. Notably, our approach even surpasses state-of-the-art performance on seven GUE benchmark datasets, consistently outperforming many DNA language models while using orders of magnitude fewer parameters and avoiding pretraining. Our results include a novel set of benchmark datasets---the Transposable Elements Benchmark---which explores a major but understudied component of the genome with deep evolutionary significance. We further motivate our work by exploring how our hyperbolic models recognize genomic signal under various data-generating conditions and by constructing an empirical method for interpreting the hyperbolicity of dataset embeddings. Throughout these assessments, we find persistent evidence highlighting the potential of our hyperbolic framework as a robust paradigm for genome representation learning. Our code and benchmark datasets are available at https://github.com/rrkhan/HGE.
Large Language Models (LLMs) are susceptible to security and safety threats, such as prompt injection, prompt extraction, and harmful requests.One major cause of these vulnerabilities is the lack of an instruction hierarchy.Modern LLM architectures treat all inputs equally, failing to distinguish between and prioritize various types of instructions, such as system messages, user prompts, and data. As a result, lower-priority user prompts may override more critical system instructions, including safety protocols. Existing approaches to achieving instruction hierarchy, such as delimiters and instruction-based training, do not address this issue at the architectural level.We introduce the $\textbf{I}$nstructional $\textbf{S}$egment $\textbf{E}$mbedding (ISE) technique, inspired by BERT, to modern large language models, which embeds instruction priority information directly into the model. This approach enables models to explicitly differentiate and prioritize various instruction types, significantly improving safety against malicious prompts that attempt to override priority rules. Our experiments on the Structured Query and Instruction Hierarchy benchmarks demonstrate an average robust accuracy increase of up to 15.75\% and 18.68\%, respectively. Furthermore, we observe an improvement in the instruction-following capability of up to 4.1\% on AlpacaEval. Overall, our approach offers a promising direction for enhancing the safety and effectiveness of LLM architectures.
Deep Learning · Generative Models and Autoencoders
We propose GALA, a novel representation of 3D shapes that (i) excels at capturing and reproducing complex geometry and surface details, (ii) is computationally efficient, and (iii) lends itself to 3D generative modelling with modern, diffusion-based schemes. The key idea of GALA is to exploit both the global sparsity of surfaces within a 3D volume and their local surface properties. *Sparsity* is promoted by covering only the 3D object boundaries, not empty space, with an ensemble of tree root voxels. Each voxel contains an octree to further limit storage and compute to regions that contain surfaces. *Adaptivity* is achieved by fitting one local and geometry-aware coordinate frame in each non-empty leaf node. Adjusting the orientation of the local grid, as well as the anisotropic scales of its axes, to the local surface shape greatly increases the amount of detail that can be stored in a given amount of memory, which in turn allows for quantization without loss of quality. With our optimized C++/CUDA implementation, GALA can be fitted to an object in less than 10 seconds. Moreover, the representation can efficiently be flattened and manipulated with transformer networks. We provide a cascaded generation pipeline capable of generating 3D shapes with great geometric detail. For more information, please visit our [project page](https://santisy.github.io/GALA/).
Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning
Pre-trained foundation models, due to their enormous capacity and exposure to vast amounts of data during pre-training, are known to have learned plenty of real-world concepts. An important step in making these pre-trained models effective on downstream tasks is to fine-tune them on related datasets. While various fine-tuning methods have been devised and have been shown to be highly effective, we observe that a fine-tuned model's ability to recognize concepts on tasks different from the downstream one is reduced significantly compared to its pre-trained counterpart. This is an undesirable effect of fine-tuning as a substantial amount of resources was used to learn these pre-trained concepts in the first place. We call this phenomenon "concept forgetting'' and via experiments show that most end-to-end fine-tuning approaches suffer heavily from this side effect. To this end, we propose a simple fix to this problem by designing a new fine-tuning method called LDIFS (short for $\ell_2$ distance in feature space) that, while learning new concepts related to the downstream task, allows a model to preserve its pre-trained knowledge as well. Through extensive experiments on 10 fine-tuning tasks we show that LDIFS significantly reduces concept forgetting. Additionally, we show that LDIFS is highly effective in performing continual fine-tuning on a sequence of tasks as well, in comparison with both fine-tuning as well as continual learning baselines.
With the rise of generative AI and rapid growth of high-quality video generation, video guardrails have become more crucial than ever to ensure safety and security across platforms. Current video guardrails, however, are either overly simplistic, relying on pure classification models trained on simple policies with limited unsafe categories, which lack detailed explanations, or prompting multimodal large language models (MLLMs) with long safety guidelines, which are inefficient and impractical for guardrailing real-world content. To bridge this gap, we propose SafeWatch, an efficient MLLM-based video guardrail model designed to follow customized safety policies and provide multi-label video guardrail outputs with content-specific explanations in a zero-shot manner. In particular, unlike traditional MLLM-based guardrails that encode all safety policies autoregressively, causing inefficiency and bias, SafeWatch uniquely encodes each policy chunk in parallel and eliminates their position bias such that all policies are attended simultaneously with equal importance. In addition, to improve efficiency and accuracy, SafeWatch incorporates a policy-aware visual token pruning algorithm that adaptively selects the most relevant video tokens for each policy, discarding noisy or irrelevant information. This allows for more focused, policy-compliant guardrail with significantly reduced computational overhead. Considering the limitations of existing video guardrail benchmarks, we propose SafeWatch-Bench, a large-scale video guardrail benchmark comprising over 2M videos spanning six safety categories which covers over 30 tasks to ensure a comprehensive coverage of all potential safety scenarios. We have conducted extensive experiments, showing that SafeWatch outperforms all SOTA video guardrails on SafeWatch-Bench by 28.2%, and achieves a 13.6% improvement on existing benchmarks, all while reducing inference costs by an average of 10%. SafeWatch also demonstrates strong policy-following abilities and outperforms previous SOTAs by 5.6% and 15.6% in zero-shot generalizability to new policies and new prompting tasks. Additionally, both LLM-as-a-judge and human evaluators confirm the high quality of the explanations provided by SafeWatch. Our project is open-sourced at https://safewatch-aiguard.github.io.
Deep Learning · Graph Neural Networks
Despite graph neural networks' (GNNs) great success in modelling graph-structured data, out-of-distribution (OOD) test instances still pose a great challenge for current GNNs. One of the most effective techniques to detect OOD nodes is to expose the detector model with an additional OOD node-set, yet the extra OOD instances are often difficult to obtain in practice. Recent methods for image data address this problem using OOD data synthesis, typically relying on pre-trained generative models like Stable Diffusion. However, these approaches require vast amounts of additional data, as well as one-for-all pre-trained generative models, which are not available for graph data. Therefore, we propose the GOLD framework for graph OOD detection, an implicit adversarial learning pipeline with synthetic OOD exposure without pre-trained models. The implicit adversarial training process employs a novel alternating optimisation framework by training: (1) a latent generative model to regularly imitate the in-distribution (ID) embeddings from an evolving GNN, and (2) a GNN encoder and an OOD detector to accurately classify ID data while increasing the energy divergence between the ID embeddings and the generative model's synthetic embeddings. This novel approach implicitly transforms the synthetic embeddings into pseudo-OOD instances relative to the ID data, effectively simulating exposure to OOD scenarios without auxiliary data. Extensive OOD detection experiments are conducted on five benchmark graph datasets, verifying the superior performance of GOLD without using real OOD data compared with the state-of-the-art OOD exposure and non-exposure baselines.
Applications · Computer Vision
We present RASO, a foundation model designed to Recognize Any Surgical Object, offering robust open-set recognition capabilities across a broad range of surgical procedures and object classes, in both surgical images and videos. RASO leverages a novel weakly-supervised learning framework that generates tag-image-text pairs automatically from large-scale unannotated surgical lecture videos, significantly reducing the need for manual annotations. Our scalable data generation pipeline gathers 2,200 surgical procedures and produces 3.6 million tag annotations across 2,066 unique surgical tags. Our experiments show that RASO achieves improvements of 2.9 mAP, 4.5 mAP, 10.6 mAP, and 7.2 mAP on four standard surgical benchmarks respectively in zero-shot settings, and surpasses state-of-the-art models in supervised surgical action recognition tasks. We will open-source our code, model, and dataset to facilitate further research.
Applications · Computer Vision
Representing images or videos as object-level feature vectors, rather than pixel-level feature maps, facilitates advanced visual tasks.Object-Centric Learning (OCL) primarily achieves this by reconstructing the input under the guidance of Variational Autoencoder (VAE) intermediate representation to drive so-called slots to aggregate as much object information as possible.However, existing VAE guidance does not explicitly address that objects can vary in pixel sizes while models typically excel at specific pattern scales.We propose Multi-Scale Fusion (MSF) to enhance VAE guidance for OCL training. To ensure objects of all sizes fall within VAE's comfort zone, we adopt the image pyramid, which produces intermediate representations at multiple scales;To foster scale-invariance/variance in object super-pixels, we devise inter/intra-scale fusion, which augments low-quality object super-pixels of one scale with corresponding high-quality super-pixels from another scale.On standard OCL benchmarks, our technique improves mainstream methods, including state-of-the-art diffusion-based ones.The source code is available on https://github.com/Genera1Z/MultiScaleFusion.
Deep Learning · Attention Mechanisms
Humans exhibit remarkable compositional reasoning by integrating knowledge from various sources. For example, if someone learns ( B = f(A) ) from one source and ( C = g(B) ) from another, they can deduce ( C=g(B)=g(f(A)) ) even without encountering ( ABC ) together, showcasing the generalization ability of human intelligence. In this paper, we introduce a synthetic learning task, "FTCT" (Fragmented at Training, Chained at Testing), to validate the potential of Transformers in replicating this skill and interpret its inner mechanism. During training, data consist of separated knowledge fragments from an overall causal graph. In testing, Transformers must combine these fragments to infer complete causal traces. Our findings demonstrate that few-shot Chain-of-Thought prompting enables Transformers to perform compositional reasoning on FTCT by revealing correct combinations of fragments, even if such combinations were absent in training data. Furthermore, the emergence of compositional reasoning ability is strongly correlated with model complexity and training-testing data similarity. We propose, both theoretically and empirically, that Transformers learn an underlying generalizable program from training, enabling effective compositional reasoning during testing.
Applications · Computer Vision
In Open Vocabulary Semantic Segmentation (OVS), we observe a consistent dropin model performance as the query vocabulary set expands, especially when itincludes semantically similar and ambiguous vocabularies, such as ‘sofa’ and‘couch’. The previous OVS evaluation protocol, however, does not account forsuch ambiguity, as any mismatch between model-predicted and human-annotatedpairs is simply treated as incorrect on a pixel-wise basis. This contradicts the opennature of OVS, where ambiguous categories may both be correct from an open-world perspective. To address this, in this work, we study the open nature of OVSand propose a mask-wise evaluation protocol that is based on matched and mis-matched mask pairs between prediction and annotation respectively. Extensiveexperimental evaluations show that the proposed mask-wise protocol provides amore effective and reliable evaluation framework for OVS models compared to theprevious pixel-wise approach on the perspective of open-world. Moreover, analy-sis of mismatched mask pairs reveals that a large amount of ambiguous categoriesexist in commonly used OVS datasets. Interestingly, we find that reducing theseambiguities during both training and inference enhances capabilities of OVS mod-els. These findings and the new evaluation protocol encourage further explorationof the open nature of OVS, as well as broader open-world challenges. Project page: https://qiming-huang.github.io/RevisitOVS/.
Transformer models have been widely investigated in different domains by providing long-range dependency handling and global contextual awareness, driving the development of popular AI applications such as ChatGPT, Gemini, and Alexa.State Space Models (SSMs) have emerged as strong contenders in the field of sequential modeling, challenging the dominance of Transformers. SSMs incorporate a selective mechanism that allows for dynamic parameter adjustment based on input data, enhancing their performance.However, this mechanism also comes with increasing computational complexity and bandwidth demands, posing challenges for deployment on resource-constraint mobile devices.To address these challenges without sacrificing the accuracy of the selective mechanism, we propose a sparse learning framework that integrates architecture-aware compiler optimizations. We introduce an end-to-end solution--$\mathbf{C}_4^n$ kernel sparsity, which prunes $n$ elements from every four contiguous weights, and develop a compiler-based acceleration solution to ensure execution efficiency for this sparsity on mobile devices.Based on the kernel sparsity, our framework generates optimized sparse models targeting specific sparsity or latency requirements for various model sizes. We further leverage pruned weights to compensate for the remaining weights, enhancing downstream task performance.For practical hardware acceleration, we propose $\mathbf{C}_4^n$-specific optimizations combined with a layout transformation elimination strategy. This approach mitigates inefficiencies arising from fine-grained pruning in linear layers and improves performance across other operations. Experimental results demonstrate that our method achieves superior task performance compared to other semi-structured pruning methods and achieves up-to 7$\times$ speedup compared to llama.cpp framework on mobile devices.
Deep Learning · Sequential Models, Time series
Surrogate models are used to predict the behavior of complex energy systems that are too expensive to simulate with traditional numerical methods. Our work introduces the use of language descriptions, which we call "system captions" or SysCaps, to interface with such surrogates. We argue that interacting with surrogates through text, particularly natural language, makes these models more accessible for both experts and non-experts.We introduce a lightweight multimodal text and timeseries regression model and a training pipeline that uses large language models (LLMs) to synthesize high-quality captions from simulation metadata. Our experiments on two real-world simulators of buildings and wind farms show that our SysCaps-augmented surrogates have better accuracy on held-out systems than traditional methods while enjoying new generalization abilities, such as handling semantically related descriptions of the same test system.Additional experiments also highlight the potential of SysCaps to unlock language-driven design space exploration and to regularize training through prompt augmentation.
Deep Learning · Large Language Models
Positional Encodings (PEs) are a critical component of Transformer-based Large Language Models (LLMs), providing the attention mechanism with important sequence-position information. One of the most popular types of encoding used today in LLMs are Rotary Positional Encodings (RoPE), that rotate the queries and keys based on their relative distance. A common belief is that RoPE is useful because it helps to decay token dependency as relative distance increases. In this work, we argue that this is unlikely to be the core reason. We study the internals of a trained Gemma 7B model to understand how RoPE is being used at a mechanical level. We find that Gemma learns to use RoPE to construct robust `positional' attention patterns by exploiting the highest frequencies. We also find that, in general, Gemma greatly prefers to use the lowest frequencies of RoPE, which we suspect are used to carry semantic information. We mathematically prove interesting behaviours of RoPE and conduct experiments to verify our findings, proposing a modification of RoPE that fixes some highlighted issues and improves performance. We believe that this work represents an interesting step in better understanding PEs in LLMs, which we believe holds crucial value for scaling LLMs to large sizes and context lengths.
Spiking Neural Networks (SNNs), with their biologically inspired spatio-temporal dynamics and spike-driven processing, are emerging as a promising low-power alternative to traditional Artificial Neural Networks (ANNs). However, the complex neuronal dynamics and non-differentiable spike communication mechanisms in SNNs present substantial challenges for efficient training. By analyzing the membrane potentials in spiking neurons, we found that their distributions can increasingly deviate from the firing threshold as time progresses, which tends to cause diminished backpropagation gradients and unbalanced optimization. To address these challenges, we propose Deep Temporal-Aligned Gradient Enhancement (DeepTAGE), a novel approach that improves optimization gradients in SNNs from both internal surrogate gradient functions and external supervision methods. Our DeepTAGE dynamically adjusts surrogate gradients in accordance with the membrane potential distribution across different time steps, enhancing their respective gradients in a temporal-aligned manner that promotes balanced training. Moreover, to mitigate issues of gradient vanishing or deviating during backpropagation, DeepTAGE incorporates deep supervision at both spatial (network stages) and temporal (time steps) levels to ensure more effective and robust network optimization. Importantly, our method can be seamlessly integrated into existing SNN architectures without imposing additional inference costs or requiring extra control modules. We validate the efficacy of DeepTAGE through extensive experiments on static benchmarks (CIFAR10, CIFAR100, and ImageNet-1k) and a neuromorphic dataset (DVS-CIFAR10), demonstrating significant performance improvements.
Mechanical meta-materials are solids whose geometric structure results in exotic nonlinear behaviors that are not typically achievable via homogeneous materials. We show how to drastically expand the design space of a class of mechanical meta-materials known as $\textit{cellular solids}$, by generalizing beyond translational symmetry. This is made possible by transforming a reference geometry according to a divergence free flow that is parameterized by a neural network and equivariant under the relevant symmetry group. We show how to construct flows equivariant to the space groups, despite the fact that these groups are not compact. Coupling this flow with a differentiable nonlinear mechanics simulator allows us to represent a much richer set of cellular solids than was previously possible. These materials can be optimized to exhibit desirable mechanical properties such as negative Poisson's ratios or to match target stress-strain curves. We validate these new designs in simulation and by fabricating real-world prototypes. We find that designs with higher-order symmetries can exhibit a wider range of behaviors.
Theory · Learning Theory
We introduce a novel framework that generalizes $f$-divergences by incorporating locally non-convex divergence-generating functions.Using this extension, we define a new class of pseudo $f$-divergences, encompassing a wider range of distances between distributions that traditional $f$-divergences cannot capture.Among these, we focus on a particular pseudo divergence obtained by considering the induced metric of Bayes Hilbert spaces.Bayes Hilbert spaces are frequently used due to their inherent connection to Bayes's theorem. They allow sampling from potentially intractable posterior densities, which has remained challenging until now.In the more general context, we prove that pseudo $f$-divergences are well-defined and introduce a variational estimation framework that can be used in a statistical learning context.By applying this variational estimation framework to $f$-GANs, we achieve improved FID scores over existing $f$-GAN architectures and competitive results with the Wasserstein GAN, highlighting its potential for both theoretical research and practical applications in learning theory.
Deep Learning · Large Language Models
In the domain of complex reasoning tasks, such as mathematical reasoning, recent advancements have proposed the use of Direct Preference Optimization (DPO) to suppress output of dispreferred responses, thereby enhancing the long-chain reasoning capabilities of large language models (LLMs). To this end, these studies employed LLMs to generate preference trees via Tree-of-thoughts (ToT) and sample the paired preference responses required by the DPO algorithm. However, the DPO algorithm based on binary preference optimization is unable to learn multiple responses with varying degrees of preference/dispreference that provided by the preference trees, resulting in incomplete preference learning. In this work, we introduce Tree Preference Optimization (TPO), that does not sample paired preference responses from the preference tree; instead, it directly learns from the entire preference tree during the fine-tuning. Specifically, TPO formulates the language model alignment as a Preference List Ranking problem, where the policy can potentially learn more effectively from a ranked preference list of responses given the prompt. In addition, to further assist LLMs in identifying discriminative steps within long-chain reasoning and increase the relative reward margin in the preference list, TPO utilizes Adaptive Step Reward to adjust the reward values of each step in trajectory for performing fine-grained preference optimization. We carry out extensive experiments on mathematical reasoning tasks to evaluate TPO. The experimental results indicate that TPO consistently outperforms DPO across five public large language models on four datasets.
Reinforcement Learning · Online
Reinforcement learning (RL) is ubiquitous in the development of modern AI systems. However, state-of-the-art RL agents require extensive, and potentiallyunsafe, interactions with their environments to learn effectively. These limitationsconfine RL agents to simulated environments, hindering their ability to learndirectly in real-world settings. In this work, we present ActSafe, a novelmodel-based RL algorithm for safe and efficient exploration. ActSafe learnsa well-calibrated probabilistic model of the system and plans optimisticallyw.r.t. the epistemic uncertainty about the unknown dynamics, while enforcingpessimism w.r.t. the safety constraints. Under regularity assumptions on theconstraints and dynamics, we show that ActSafe guarantees safety duringlearning while also obtaining a near-optimal policy in finite time. In addition, wepropose a practical variant of ActSafe that builds on latest model-based RL advancements and enables safe exploration even in high-dimensional settings suchas visual control. We empirically show that ActSafe obtains state-of-the-artperformance in difficult exploration tasks on standard safe deep RL benchmarkswhile ensuring safety during learning.