mtybilly/Instruct2DS huggingface dataset:
Safety through feedback in Constrained RL
Authors: Shashank Reddy Chirra, Pradeep Varakantham, Praveen Paruchuri
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In safety-critical RL settings, the inclusion of an additional cost function is often favoured over the arduous task of modifying the reward function to ensure the agent's safe behaviour. However, designing or evaluating such a cost function can be prohibitively expensive. For instance, in the domain of self-driving, designing a cost function that encompasses all unsafe behaviours (e.g., aggressive lane changes, risky overtakes) is inherently complex, it must also consider all the actors present in the scene making it expensive to evaluate. In such scenarios, the cost function can be learned from feedback collected offline in between training rounds. This feedback can be system generated or elicited from a human observing the training process. Previous approaches have not been able to scale to complex environments and are constrained to receiving feedback at the state level which can be expensive to collect. To this end, we introduce an approach that scales to more complex domains and extends beyond state-level feedback, thus, reducing the burden on the evaluator. Inferring the cost function in such settings poses challenges, particularly in assigning credit to individual states based on trajectory-level feedback. To address this, we propose a surrogate objective that transforms the problem into a state-level supervised classification task with noisy labels, which can be solved efficiently. Additionally, it is often infeasible to collect feedback for every trajectory generated by the agent, hence, two fundamental questions arise: (1) Which trajectories should be presented to the human? and (2) How many trajectories are necessary for effective learning? To address these questions, we introduce a \textit{novelty-based sampling} mechanism that selectively involves the evaluator only when the the agent encounters a \textit{novel} trajectory, and discontinues querying once the trajectories are no longer \textit{novel}. We showcase the efficiency of our method through experimentation on several benchmark Safety Gymnasium environments and realistic self-driving scenarios. Our method demonstrates near-optimal performance, comparable to when the cost function is known, by relying solely on trajectory-level feedback across multiple domains. This highlights both the effectiveness and scalability of our approach. The code to replicate these results can be found at \href{https://github.com/shshnkreddy/RLSF}{https://github.com/shshnkreddy/RLSF}
Regularized Conditional Diffusion Model for Multi-Task Preference Alignment
Authors: Xudong Yu, Chenjia Bai, Haoran He, Changhong Wang, Xuelong Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Sequential decision-making can be formulated as a conditional generation process, with targets for alignment with human intents and versatility across various tasks. Previous return-conditioned diffusion models manifest comparable performance but rely on well-defined reward functions, which requires amounts of human efforts and faces challenges in multi-task settings. Preferences serve as an alternative but recent work rarely considers preference learning given multiple tasks. To facilitate the alignment and versatility in multi-task preference learning, we adopt multi-task preferences as a unified framework. In this work, we propose to learn preference representations aligned with preference labels, which are then used as conditions to guide the conditional generation process of diffusion models. The traditional classifier-free guidance paradigm suffers from the inconsistency between the conditions and generated trajectories. We thus introduce an auxiliary regularization objective to maximize the mutual info
MiniCache: KV Cache Compression in Depth Dimension for Large Language Models
Authors: Akide Liu, Jing Liu, Zizheng Pan, Yefei He, Gholamreza Haffari, Bohan Zhuang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: A critical approach for efficiently deploying computationally demanding large language models (LLMs) is Key-Value (KV) caching. The KV cache stores key-value states of previously generated tokens, significantly reducing the need for repetitive computations and thereby lowering latency in autoregressive generation. However, the size of the KV cache grows linearly with sequence length, posing challenges for applications requiring long context input and extensive sequence generation. In this paper, we present a simple yet effective approach, called MiniCache, to compress the KV cache across layers from a novel depth perspective, significantly reducing the memory footprint for LLM inference. Our approach is based on the observation that KV cache states exhibit high similarity between the adjacent layers in the middle-to-deep portion of LLMs. To facilitate merging, we propose disentangling the states into the magnitude and direction components, interpolating the directions of the state vectors while preserving their lengths unchanged. Furthermore, we introduce a token retention strategy to keep highly distinct state pairs unmerged, thus preserving the information with minimal additional storage overhead. Our MiniCache is training-free and general, complementing existing KV cache compression strategies, such as quantization and sparsity.  We conduct a comprehensive evaluation of MiniCache utilizing various models including LLaMA-2, LLaMA-3, Phi-3, Mistral, and Mixtral across multiple benchmarks, demonstrating its exceptional performance in achieving superior compression ratios and high throughput. On the ShareGPT dataset, LLaMA-2-7B with cross-layer merging achieves a compression ratio of $1.53\times$. Additionally, since MiniCache is orthogonal to existing quantization techniques, it can achieve a compression ratio of up to $5.02\times$ when combined with the 4-bit quantization technique, enhancing inference throughput by approximately $5\times$ and reducing the memory footprint by $41\%$ compared to the FP16 full cache baseline, all while maintaining near-lossless performance. Project is available at https://minicache.vmv.re .
Neural Localizer Fields for Continuous 3D Human Pose and Shape Estimation
Authors: István Sárándi, Gerard Pons-Moll
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: With the explosive growth of available training data, single-image 3D human modeling is ahead of a transition to a data-centric paradigm.A key to successfully exploiting data scale is to design flexible models that can be supervised from various heterogeneous data sources produced by different researchers or vendors.To this end, we propose a simple yet powerful paradigm for seamlessly unifying different human pose and shape-related tasks and datasets.Our formulation is centered on the ability - both at training and test time - to query any arbitrary point of the human volume, and obtain its estimated location in 3D.We achieve this by learning a continuous neural field of body point localizer functions, each of which is a differently parameterized 3D heatmap-based convolutional point localizer (detector).For generating parametric output, we propose an efficient post-processing step for fitting SMPL-family body models to nonparametric joint and vertex predictions.With this approach, we can naturally exploit differently annotated data sources including mesh, 2D/3D skeleton and dense pose, without having to convert between them, and thereby train large-scale 3D human mesh and skeleton estimation models that outperform the state-of-the-art on several public benchmarks including 3DPW, EMDB, EHF, SSP-3D and AGORA by a considerable margin.We release our code and models to foster downstream research.
Speaking Your Language: Spatial Relationships in Interpretable Emergent Communication
Authors: Olaf Lipinski, Adam J. Sobey, Federico Cerutti, Timothy J. Norman
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Effective communication requires the ability to refer to specific parts of an observation in relation to others. While emergent communication literature shows success in developing various language properties, no research has shown the emergence of such positional references. This paper demonstrates how agents can communicate about spatial relationships within their observations. The results indicate that agents can develop a language capable of expressing the relationships between parts of their observation, achieving over 90% accuracy when trained in a referential game which requires such communication. Using a collocation measure, we demonstrate how the agents create such references. This analysis suggests that agents use a mixture of non-compositional and compositional messages to convey spatial relationships. We also show that the emergent language is interpretable by humans. The translation accuracy is tested by communicating with the receiver agent, where the receiver achieves over 78% accuracy using parts of this lexicon, confirming that the interpretation of the emergent language was successful.
LightGaussian: Unbounded 3D Gaussian Compression with 15x Reduction and 200+ FPS
Authors: Zhiwen Fan, Kevin Wang, Kairun Wen, Zehao Zhu, Dejia Xu, Zhangyang Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent advances in real-time neural rendering using point-based techniques have enabled broader adoption of 3D representations. However, foundational approaches like 3D Gaussian Splatting impose substantial storage overhead, as Structure-from-Motion (SfM) points can grow to millions, often requiring gigabyte-level disk space for a single unbounded scene. This growth presents scalability challenges and hinders splatting efficiency. To address this, we introduce LightGaussian, a method for transforming 3D Gaussians into a more compact format. Inspired by Network Pruning, LightGaussian identifies Gaussians with minimal global significance on scene reconstruction, and applies a pruning and recovery process to reduce redundancy while preserving visual quality. Knowledge distillation and pseudo-view augmentation then transfer spherical harmonic coefficients to a lower degree, yielding compact representations. Gaussian Vector Quantization, based on each Gaussian’s global significance, further lowers bitwidth with minimal accuracy loss. LightGaussian achieves an average 15 times compression rate while boosting FPS from 144 to 237 within the 3D-GS framework, enabling efficient complex scene representation on the Mip-NeRF 360 and Tank & Temple datasets. The proposed Gaussian pruning approach is also adaptable to other 3D representations (e.g., Scaffold-GS), demonstrating strong generalization capabilities.
Topic-Conversation Relevance (TCR)  Dataset and Benchmarks
Authors: Yaran Fan, Jamie Pool, Senja Filipi, Ross Cutler
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Workplace meetings are vital to organizational collaboration, yet a large percentage of meetings are rated as ineffective. To help improve meeting effectiveness by understanding if the conversation is on topic, we create a comprehensive Topic-Conversation Relevance (TCR) dataset that covers a variety of domains and meeting styles. The TCR dataset includes 1,500 unique meetings, 22 million words in transcripts, and over 15,000 meeting topics, sourced from both newly collected Speech Interruption Meeting (SIM) data and existing public datasets. Along with the text data, we also open source scripts to generate synthetic meetings or create augmented meetings from the TCR dataset to enhance data diversity. For each data source, benchmarks are created using GPT-4 to evaluate the model accuracy in understanding transcription-topic relevance.
Rapid Plug-in Defenders
Authors: Kai Wu, Yujian Betterest Li, Jian Lou, Xiaoyu Zhang, Handing Wang, Jing Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In the realm of daily services, the deployment of deep neural networks underscores the paramount importance of their reliability. However, the vulnerability of these networks to adversarial attacks, primarily evasion-based, poses a concerning threat to their functionality. Common methods for enhancing robustness involve heavy adversarial training or leveraging learned knowledge from clean data, both necessitating substantial computational resources. This inherent time-intensive nature severely limits the agility of large foundational models to swiftly counter adversarial perturbations. To address this challenge, this paper focuses on the \textbf{Ra}pid \textbf{P}lug-\textbf{i}n \textbf{D}efender (\textbf{RaPiD}) problem, aiming to rapidly counter adversarial perturbations without altering the deployed model. Drawing inspiration from the generalization and the universal computation ability of pre-trained transformer models, we propose a novel method termed \textbf{CeTaD} (\textbf{C}onsidering Pr\textbf{e}-trained \textbf{T}ransformers \textbf{a}s \textbf{D}efenders) for RaPiD, optimized for efficient computation. \textbf{CeTaD} strategically fine-tunes the normalization layer parameters within the defender using a limited set of clean and adversarial examples. Our evaluation centers on assessing \textbf{CeTaD}'s effectiveness, transferability, and the impact of different components in scenarios involving one-shot adversarial examples. The proposed method is capable of rapidly adapting to various attacks and different application scenarios without altering the target model and clean training data. We also explore the influence of varying training data conditions on \textbf{CeTaD}'s performance. Notably, \textbf{CeTaD} exhibits adaptability across differentiable service models and proves the potential of continuous learning.
TGB 2.0: A Benchmark for Learning on Temporal Knowledge Graphs and Heterogeneous Graphs
Authors: Julia Gastinger, Shenyang Huang, Mikhail Galkin, Erfan Loghmani, Ali Parviz, Farimah Poursafaei, Jacob Danovitch, Emanuele Rossi, Ioannis Koutis, Heiner Stuckenschmidt, Reihaneh Rabbany, Guillaume Rabusseau
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Multi-relational temporal graphs are powerful tools for modeling real-world data, capturing the evolving and interconnected nature of entities over time. Recently, many novel models are proposed for ML on such graphs intensifying the need for robust evaluation and standardized benchmark datasets. However, the availability of such resources remains scarce and evaluation faces added complexity due to reproducibility issues in experimental protocols. To address these challenges, we introduce Temporal Graph Benchmark 2.0 (TGB 2.0), a novel benchmarking framework tailored for evaluating methods for predicting future links on Temporal Knowledge Graphs and Temporal Heterogeneous Graphs with a focus on large-scale datasets, extending the Temporal Graph Benchmark. TGB 2.0 facilitates comprehensive evaluations by presenting eight novel datasets spanning five domains with up to 53 million edges. TGB 2.0 datasets are significantly largerthan existing datasets in terms of number of nodes, edges, or timestamps. In addition, TGB 2.0 provides a reproducible and realistic evaluation pipeline for multi-relational temporal graphs. Through extensive experimentation, we observe that 1) leveraging edge-type information is crucial to obtain high performance, 2) simple heuristic baselines are often competitive with more complex methods, 3) most methods fail to run on our largest datasets, highlighting the need for research on more scalable methods.
Quantitative Convergences of Lie Group Momentum Optimizers
Authors: Lingkai Kong, Molei Tao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Explicit, momentum-based dynamics that optimize functions defined on Lie groups can be constructed via variational optimization and momentum trivialization. Structure preserving time discretizations can then turn this dynamics into optimization algorithms. This article investigates two types of discretization, Lie Heavy-Ball, which is a known splitting scheme, and Lie NAG-SC, which is newly proposed. Their convergence rates are explicitly quantified under $L$-smoothness and \emph{local} strong convexity assumptions. Lie NAG-SC provides acceleration over the momentumless case, i.e. Riemannian gradient descent, but Lie Heavy-Ball does not. When compared to existing accelerated optimizers for general manifolds, both Lie Heavy-Ball and Lie NAG-SC are computationally cheaper and easier to implement, thanks to their utilization of group structure. Only gradient oracle and exponential map are required, but not logarithm map or parallel transport which are computational costly.
ZOPP: A Framework of Zero-shot Offboard Panoptic Perception for Autonomous Driving
Authors: Tao Ma, Hongbin Zhou, Qiusheng Huang, Xuemeng Yang, Jianfei Guo, Bo Zhang, Min Dou, Yu Qiao, Botian Shi, Hongsheng Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Offboard perception aims to automatically generate high-quality 3D labels for autonomous driving (AD) scenes. Existing offboard methods focus on 3D object detection with closed-set taxonomy and fail to match human-level recognition capability on the rapidly evolving perception tasks. Due to heavy reliance on human labels and the prevalence of data imbalance and sparsity, a unified framework for offboard auto-labeling various elements in AD scenes that meets the distinct needs of perception tasks is not being fully explored. In this paper, we propose a novel multi-modal Zero-shot Offboard Panoptic Perception (ZOPP) framework for autonomous driving scenes. ZOPP integrates the powerful zero-shot recognition capabilities of vision foundation models and 3D representations derived from point clouds. To the best of our knowledge, ZOPP represents a pioneering effort in the domain of multi-modal panoptic perception and auto labeling for autonomous driving scenes. We conduct comprehensive empirical studies and evaluations on Waymo open dataset to validate the proposed ZOPP on various perception tasks. To further explore the usability and extensibility of our proposed ZOPP, we also conduct experiments in downstream applications. The results further demonstrate the great potential of our ZOPP for real-world scenarios. The source code will be released at \url{https://github.com/PJLab-ADG/ZOPP}.
An Offline Adaptation Framework for Constrained Multi-Objective Reinforcement Learning
Authors: Qian Lin, Zongkai Liu, Danying Mo, Chao Yu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In recent years, significant progress has been made in multi-objective reinforcement learning (RL) research, which aims to balance multiple objectives by incorporating preferences for each objective. In most existing studies, specific preferences must be provided during deployment to indicate the desired policies explicitly. However, designing these preferences depends heavily on human prior knowledge, which is typically obtained through extensive observation of high-performing demonstrations with expected behaviors. In this work, we propose a simple yet effective offline adaptation framework for multi-objective RL problems without assuming handcrafted target preferences, but only given several demonstrations to implicitly indicate the preferences of expected policies. Additionally, we demonstrate that our framework can naturally be extended to meet constraints on safety-critical objectives by utilizing safe demonstrations, even when the safety thresholds are unknown. Empirical results on offline multi-objective and safe tasks demonstrate the capability of our framework to infer policies that align with real preferences while meeting the constraints implied by the provided demonstrations.
MOTIVE: A Drug-Target Interaction Graph For Inductive Link Prediction
Authors: John Arevalo, Ellen Su, Anne E. Carpenter, Shantanu Singh
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Drug-target interaction (DTI) prediction is crucial for identifying new therapeutics and detecting mechanisms of action. While structure-based methods accurately model physical interactions between a drug and its protein target, cell-based assays such as Cell Painting can better capture complex DTI interactions. This paper introduces MOTIVE, a Morphological cOmpound Target Interaction Graph dataset comprising Cell Painting features for 11,000 genes and 3,600 compounds, along with their relationships extracted from seven publicly available databases. We provide random, cold-source (new drugs), and cold-target (new genes) data splits to enable rigorous evaluation under realistic use cases. Our benchmark results show that graph neural networks that use Cell Painting features consistently outperform those that learn from graph structure alone, feature-based models, and topological heuristics. MOTIVE accelerates both graph ML research and drug discovery by promoting the development of more reliable DTI prediction models. MOTIVE resources are available at https://github.com/carpenter-singh-lab/motive.
CARES: A Comprehensive Benchmark of Trustworthiness in Medical Vision Language Models
Authors: Peng Xia, Ze Chen, Juanxi Tian, Yangrui Gong, Ruibo Hou, Yue Xu, Zhenbang Wu, Zhiyuan Fan, Yiyang Zhou, Kangyu Zhu, Wenhao Zheng, Zhaoyang Wang, Xiao Wang, Xuchao Zhang, Chetan Bansal, Marc Niethammer, Junzhou Huang, Hongtu Zhu, Yun Li, Jimeng Sun, Zongyuan Ge, Gang Li, James Zou, Huaxiu Yao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Artificial intelligence has significantly impacted medical applications, particularly with the advent of Medical Large Vision Language Models (Med-LVLMs), sparking optimism for the future of automated and personalized healthcare. However, the trustworthiness of Med-LVLMs remains unverified, posing significant risks for future model deployment. In this paper, we introduce CARES and aim to comprehensively evaluate the Trustworthiness of Med-LVLMs across the medical domain. We assess the trustworthiness of Med-LVLMs across five dimensions, including trustfulness, fairness, safety, privacy, and robustness. CARES comprises about 41K question-answer pairs in both closed and open-ended formats, covering 16 medical image modalities and 27 anatomical regions. Our analysis reveals that the models consistently exhibit concerns regarding trustworthiness, often displaying factual inaccuracies and failing to maintain fairness across different demographic groups. Furthermore, they are vulnerable to attacks and demonstrate a lack of privacy awareness. We publicly release our benchmark and code in https://github.com/richard-peng-xia/CARES.
On Tractable $\Phi$-Equilibria in Non-Concave Games
Authors: Yang Cai, Constantinos Daskalakis, Haipeng Luo, Chen-Yu Wei, Weiqiang Zheng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: While Online Gradient Descent and other no-regret learning procedures are known to efficiently converge to a coarse correlated equilibrium in games where each agent's utility is concave in their own strategy, this is not the case when utilities are non-concave -- a common scenario in machine learning applications involving strategies parameterized by deep neural networks, or when agents' utilities are computed by neural networks, or both. Non-concave games introduce significant game-theoretic and optimization challenges: (i) Nash equilibria may not exist; (ii) local Nash equilibria, though they exist, are intractable; and (iii) mixed Nash, correlated, and coarse correlated equilibria generally have infinite support and are intractable. To sidestep these challenges, we revisit the classical solution concept of $\Phi$-equilibria introduced by Greenwald and Jafari [GJ03], which is guaranteed to exist for an arbitrary set of strategy modifications $\Phi$ even in non-concave games [SL07]. However, the tractability of $\Phi$-equilibria in such games remains elusive. In this paper, we initiate the study of tractable $\Phi$-equilibria in non-concave games and examine several natural families of strategy modifications. We show that when $\Phi$ is finite, there exists an efficient uncoupled learning algorithm that approximates the corresponding $\Phi$-equilibria. Additionally, we explore cases where $\Phi$ is infinite but consists of local modifications, showing that Online Gradient Descent can efficiently approximate $\Phi$-equilibria in non-trivial regimes.
Achievable Fairness on Your Data With Utility Guarantees
Authors: Muhammad Faaiz Taufiq, Jean-François Ton, Yang Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In machine learning fairness, training models that minimize disparity across different sensitive groups often leads to diminished accuracy, a phenomenon known as the fairness-accuracy trade-off. The severity of this trade-off inherently depends on dataset characteristics such as dataset imbalances or biases and therefore, using a uniform fairness requirement across diverse datasets remains questionable. To address this, we present a computationally efficient approach to approximate the fairness-accuracy trade-off curve tailored to individual datasets, backed by rigorous statistical guarantees. By utilizing the You-Only-Train-Once (YOTO) framework, our approach mitigates the computational burden of having to train multiple models when approximating the trade-off curve. Crucially, we introduce a novel methodology for quantifying uncertainty in our estimates, thereby providing practitioners with a robust framework for auditing model fairness while avoiding false conclusions due to estimation errors. Our experiments spanning tabular (e.g., Adult), image (CelebA), and language (Jigsaw) datasets underscore that our approach not only reliably quantifies the optimum achievable trade-offs across various data modalities but also helps detect suboptimality in SOTA fairness methods.
A New Neural Kernel Regime: The Inductive Bias of Multi-Task Learning
Authors: Julia Nakhleh, Joseph Shenouda, Robert D. Nowak
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper studies the properties of solutions to multi-task shallow ReLU neural network learning problems, wherein the network is trained to fit a dataset with minimal sum of squared weights. Remarkably, the solutions learned for each individual task resemble those obtained by solving a kernel regression problem, revealing a novel connection between neural networks and kernel methods. It is known that single-task neural network learning problems are equivalent to a minimum norm interpolation problem in a non-Hilbertian Banach space, and that the solutions of such problems are generally non-unique. In contrast, we prove that the solutions to univariate-input, multi-task neural network interpolation problems are almost always unique, and coincide with the solution to a minimum-norm interpolation problem in a Sobolev (Reproducing Kernel) Hilbert Space. We also demonstrate a similar phenomenon in the multivariate-input case; specifically, we show that neural network learning problems with large numbers of tasks are approximately equivalent to an $\ell^2$ (Hilbert space) minimization problem over a fixed kernel determined by the optimal neurons.
A survey and benchmark of high-dimensional Bayesian optimization of discrete sequences
Authors: Miguel González-Duque, Richard Michael, Simon Bartels, Yevgen Zainchkovskyy, Søren Hauberg, Wouter Boomsma
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design. Due to the lack of gradient information and the need for sample efficiency, Bayesian optimization is an ideal candidate for these tasks. Several methods for high-dimensional continuous and categorical Bayesian optimization have been proposed recently. However, our survey of the field reveals highly heterogeneous experimental set-ups across methods and technical barriers for the replicability and application of published algorithms to real-world tasks. To address these issues, we develop a unified framework to test a vast array of high-dimensional Bayesian optimization methods and a collection of standardized black-box functions representing real-world application domains in chemistry and biology. These two components of the benchmark are each supported by flexible, scalable, and easily extendable software libraries (poli and poli-baselines), allowing practitioners to readily incorporate new optimization objectives or discrete optimizers. Project website: https://machinelearninglifescience.github.io/hdbo_benchmark.
MKGL: Mastery of a Three-Word Language
Authors: Lingbing Guo, Zhongpu Bo, Zhuo Chen, Yichi Zhang, Jiaoyan Chen, Yarong Lan, Mengshu Sun, Zhiqiang Zhang, Yangyifei Luo, Qian Li, Qiang Zhang, Wen Zhang, Huajun Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large language models (LLMs) have significantly advanced performance across a spectrum of natural language processing (NLP) tasks. Yet, their application to knowledge graphs (KGs), which describe facts in the form of triplets and allow minimal hallucinations, remains an underexplored frontier. In this paper, we investigate the integration of LLMs with KGs by introducing a specialized KG Language (KGL), where a sentence precisely consists of an entity noun, a relation verb, and ends with another entity noun. Despite KGL's unfamiliar vocabulary to the LLM, we facilitate its learning through a tailored dictionary and illustrative sentences, and enhance context understanding via real-time KG context retrieval and KGL token embedding augmentation. Our results reveal that LLMs can achieve fluency in KGL, drastically reducing errors compared to conventional KG embedding methods on KG completion. Furthermore, our enhanced LLM shows exceptional competence in generating accurate three-word sentences from an initial entity and interpreting new unseen terms out of KGs.
MatFormer: Nested Transformer for Elastic Inference
Authors: Devvrit, Sneha Kudugunta, Aditya Kusupati, Tim Dettmers, Kaifeng Chen, Inderjit Dhillon, Yulia Tsvetkov, Hannaneh Hajishirzi, Sham Kakade, Ali Farhadi, Prateek Jain
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Foundation models are applied in a broad spectrum of settings with different inference constraints, from massive multi-accelerator clusters to resource-constrained standalone mobile devices. However, the substantial costs associated with training these models often limit the number of unique model sizes that can be offered. Consequently, practitioners are compelled to select a model that may not be optimally aligned with their specific latency and cost requirements. We present MatFormer, a novel Transformer architecture designed to provide elastic inference across diverse deployment constraints. MatFormer achieves this by incorporating a nested Feed Forward Network (FFN) block structure within a standard Transformer model. During training, we  optimize the parameters of multiple nested FFN blocks with varying sizes, enabling the extraction of hundreds of accurate smaller models without incurring additional computational costs. We empirically validate the efficacy of MatFormer across different model classes (decoders and encoders) and modalities (language and vision), demonstrating its potential for real-world deployment. We show that a 850M decoder-only MatFormer language model (MatLM) allows us to extract multiple smaller models spanning from 582M to 850M parameters, each exhibiting better validation loss and one-shot downstream evaluations than independently trained counterparts. Furthermore, we observe that smaller encoders extracted from a universal MatFormer-based ViT (MatViT) encoder preserve the metric-space structure for adaptive large-scale retrieval. Finally, we showcase that speculative decoding with the accurate and consistent submodels extracted from  MatFormer can lead to significant reduction in inference latency.
Reinforcement Learning Policy as Macro Regulator Rather than Macro Placer
Authors: Ke Xue, Ruo-Tong Chen, Xi Lin, Yunqi Shi, Shixiong Kai, Siyuan Xu, Chao Qian
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In modern chip design, placement aims at placing millions of circuit modules, which is an essential step that significantly influences power, performance, and area (PPA) metrics. Recently, reinforcement learning (RL) has emerged as a promising technique for improving placement quality, especially macro placement. However, current RL-based placement methods suffer from long training times, low generalization ability, and inability to guarantee PPA results. A key issue lies in the problem formulation, i.e., using RL to place from scratch, which results in limits useful information and inaccurate rewards during the training process. In this work, we propose an approach that utilizes RL for the refinement stage, which allows the RL policy to learn how to adjust existing placement layouts, thereby receiving sufficient information for the policy to act and obtain relatively dense and precise rewards. Additionally, we introduce the concept of regularity during training, which is considered an important metric in the chip design industry but is often overlooked in current RL placement methods. We evaluate our approach on the ISPD 2005 and ICCAD 2015 benchmark, comparing the global half-perimeter wirelength and regularity of our proposed method against several competitive approaches. Besides, we test the PPA performance using commercial software, showing that RL as a regulator can achieve significant PPA improvements. Our RL regulator can fine-tune placements from any method and enhance their quality. Our work opens up new possibilities for the application of RL in placement, providing a more effective and efficient approach to optimizing chip design. Our code is available at \url{https://github.com/lamda-bbo/macro-regulator}.
UniTS: A Unified Multi-Task Time Series Model
Authors: Shanghua Gao, Teddy Koker, Owen Queen, Thomas Hartvigsen, Theodoros Tsiligkaridis, Marinka Zitnik
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Although pre-trained transformers and reprogrammed text-based LLMs have shown strong performance on time series tasks, the best-performing architectures vary widely across tasks, with most models narrowly focused on specific areas, such as time series forecasting. Unifying predictive and generative time series tasks within a single model remains challenging. We introduce UniTS, a unified multi-task time series model that utilizes task tokenization to integrate predictive and generative tasks into a single framework. UniTS employs a modified transformer block to capture universal time series representations, enabling transferability from a heterogeneous, multi-domain pre-training dataset—characterized by diverse dynamic patterns, sampling rates, and temporal scales—to a wide range of downstream datasets with varied task specifications and data domains. Tested on 38 datasets across human activity sensors, healthcare, engineering, and finance, UniTS achieves superior performance compared to 12 forecasting models, 20 classification models, 18 anomaly detection models, and 16 imputation models, including adapted text-based LLMs. UniTS also demonstrates strong few-shot and prompt capabilities when applied to new domains and tasks. In single-task settings, UniTS outperforms competitive task-specialized time series models. Code and datasets are available at https://github.com/mims-harvard/UniTS.
VHELM: A Holistic Evaluation of Vision Language Models
Authors: Tony Lee, Haoqin Tu, Chi Heem Wong, Wenhao Zheng, Yiyang Zhou, Yifan Mai, Josselin Somerville Roberts, Michihiro Yasunaga, Huaxiu Yao, Cihang Xie, Percy Liang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Current benchmarks for assessing vision-language models (VLMs) often focus on their perception or problem-solving capabilities and neglect other critical aspects such as fairness, multilinguality, or toxicity. Furthermore, they differ in their evaluation procedures and the scope of the evaluation, making it difficult to compare models. To address these issues, we extend the HELM framework to VLMs to present the Holistic Evaluation of Vision Language Models (VHELM). VHELM aggregates various datasets to cover one or more of the 9 aspects: visual perception, knowledge, reasoning, bias, fairness, multilinguality, robustness, toxicity, and safety. In doing so, we produce a comprehensive, multi-dimensional view of the capabilities of the VLMs across these important factors. In addition, we standardize the standard inference parameters, methods of prompting, and evaluation metrics to enable fair comparisons across models. Our framework is designed to be lightweight and automatic so that evaluation runs are cheap and fast. Our initial run evaluates 22 VLMs on 21 existing datasets to provide a holistic snapshot of the models. We uncover new key findings, such as the fact that efficiency-focused models (e.g., Claude 3 Haiku or Gemini 1.5 Flash) perform significantly worse than their full models (e.g., Claude 3 Opus or Gemini 1.5 Pro) on the bias benchmark but not when evaluated on the other aspects. For transparency, we release the raw model generations and complete results on our website at https://crfm.stanford.edu/helm/vhelm/v2.0.1. VHELM is intended to be a living benchmark, and we hope to continue adding new datasets and models over time.
Connecting the Dots: LLMs can Infer and Verbalize Latent Structure from Disparate Training Data
Authors: Johannes Treutlein, Dami Choi, Jan Betley, Sam Marks, Cem Anil, Roger Grosse, Owain Evans
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: One way to address safety risks from large language models (LLMs) is to censor dangerous knowledge from their training data. While this removes the explicit information, implicit information can remain scattered across various training documents. Could an LLM infer the censored knowledge by piecing together these implicit hints? As a step towards answering this question, we study inductive out-of-context reasoning (OOCR), a type of generalization in which LLMs infer latent information from evidence distributed across training documents and apply it to downstream tasks without in-context learning. Using a suite of five tasks, we demonstrate that frontier LLMs can perform inductive OOCR. In one experiment we finetune an LLM on a corpus consisting only of distances between an unknown city and other known cities. Remarkably, without in-context examples or Chain of Thought, the LLM can verbalize that the unknown city is Paris and use this fact to answer downstream questions. Further experiments show that LLMs trained only on individual coin flip outcomes can verbalize whether the coin is biased, and those trained only on pairs $(x,f(x))$ can articulate a definition of $f$ and compute inverses. While OOCR succeeds in a range of cases, we also show that it is unreliable, particularly for smaller LLMs learning complex structures. Overall, the ability of LLMs to "connect the dots" without explicit in-context learning poses a potential obstacle to monitoring and controlling the knowledge acquired by LLMs.
Penalty-based Methods for Simple Bilevel Optimization under Hölderian Error Bounds
Authors: Pengyu Chen, Xu Shi, Rujun Jiang, Jiulin Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper investigates simple bilevel optimization problems where we minimize a convex upper-level objective over the optimal solution set of a convex lower-level objective. Existing methods for such problems either only guarantee asymptotic convergence, have slow sublinear rates, or require strong assumptions. To address these challenges, we propose a penalization framework that delineates the relationship between approximate solutions of the original problem and its reformulated counterparts. This framework accommodates varying assumptions regarding smoothness and convexity, enabling the application of specific methods with different complexity results. Specifically, when both upper- and lower-level objectives are composite convex functions, under an $\alpha$-Hölderian error bound condition and certain mild assumptions, our algorithm attains an $(\epsilon,\epsilon^{\beta})$-optimal solution of the original problem for any $\beta> 0$ within $\mathcal{O}\left(\sqrt{{1}/{\epsilon^{\max\\{\alpha,\beta\\}}}}\right)$ iterations. The result can be improved further if the smooth part of the upper-level objective is strongly convex. We also establish complexity results when the upper- and lower-level objectives are general nonsmooth functions. Numerical experiments demonstrate the effectiveness of our algorithms.
KptLLM: Unveiling the Power of Large Language Model for Keypoint Comprehension
Authors: Jie Yang, Wang Zeng, Sheng Jin, Lumin Xu, Wentao Liu, Chen Qian, Ruimao Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent advancements in Multimodal Large Language Models (MLLMs) have greatly improved their abilities in image understanding. However, these models often struggle with grasping pixel-level semantic details, e.g., the keypoints of an object. To bridge this gap, we introduce the novel challenge of Semantic Keypoint Comprehension, which aims to comprehend keypoints across different task scenarios, including keypoint semantic understanding, visual prompt-based keypoint detection, and textual prompt-based keypoint detection. Moreover, we introduce KptLLM, a unified multimodal model that utilizes an identify-then-detect strategy to effectively address these challenges. KptLLM underscores the initial discernment of semantics in keypoints, followed by the precise determination of their positions through a chain-of-thought process. With several carefully designed modules, KptLLM adeptly handles various modality inputs, facilitating the interpretation of both semantic contents and keypoint locations. Our extensive experiments demonstrate KptLLM's superiority in various keypoint detection benchmarks and its unique semantic capabilities in interpreting keypoints.
Recurrent Complex-Weighted Autoencoders for Unsupervised Object Discovery
Authors: Anand Gopalakrishnan, Aleksandar Stanić, Jürgen Schmidhuber, Michael Curtis Mozer
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Current state-of-the-art synchrony-based models encode object bindings with complex-valued activations and compute with real-valued weights in feedforward architectures. We argue for the computational advantages of a recurrent architecture with complex-valued weights. We propose a fully convolutional autoencoder, SynCx, that performs iterative constraint satisfaction: at each iteration, a hidden layer bottleneck encodes statistically regular configurations of features in particular phase relationships; over iterations, local constraints propagate and the model converges to a globally consistent configuration of phase assignments. Binding is achieved simply by the matrix-vector product operation between complex-valued weights and activations, without the need for additional mechanisms that have been incorporated into current synchrony-based models. SynCx outperforms or is strongly competitive with current models for unsupervised object discovery. SynCx also avoids certain systematic grouping errors of current models, such as the inability to separate similarly colored objects without additional supervision.
WikiDO: A New Benchmark Evaluating Cross-Modal Retrieval for Vision-Language Models
Authors: T Pavan Kalyan, Piyush Singh Pasi, Sahil Nilesh Dharod, Azeem Azaz Motiwala, Preethi Jyothi, Aditi Chaudhary, Krishna Srinivasan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Cross-modal (image-to-text and text-to-image) retrieval is an established task used in evaluation benchmarks to test the performance of vision-language models (VLMs). Several state-of-the-art VLMs (e.g. CLIP, BLIP-2) have achieved near-perfect performance on widely-used image-text retrieval benchmarks such as MSCOCO-Test-5K and Flickr30K-Test-1K. As a measure of out-of-distribution (OOD) generalization, prior works rely on zero-shot performance evaluated on one dataset (Flickr) using a VLM finetuned on another one (MSCOCO). We argue that such comparisons are insufficient to assess the OOD generalization capability of models due to high visual and linguistic similarity between the evaluation and finetuning datasets. To address this gap, we introduce WikiDO (drawn from Wikipedia Diversity Observatory), a novel cross-modal retrieval benchmark to assess the OOD generalization capabilities of pretrained VLMs. This consists of newly scraped 380K image-text pairs from Wikipedia with domain labels, a carefully curated, human-verified a)in-distribution (ID) test set (3K) and b) OOD test set (3K). The image-text pairs are very diverse in topics and geographical locations. We evaluate different VLMs of varying capacity on the \wikido benchmark; BLIP-2 achieves zero-shot performance of $R@1\approx66\%$ on the OOD test set, compared to $\approx$ $81\%$ on COCO and $\approx95\%$ on Flickr. When fine-tuned on WikiDO, the $R@1$ improvement is at most $\approx5\%$ on OOD instances compared to $\approx12\%$ on ID instances. We probe the VLMs with varying finetuning objectives and datasets of varying sizes to identify what aids OOD generalization the most. Our results confirm that WikiDO offers a strong cross-modal benchmark for current VLMs in specifically evaluating for OOD generalization. Our benchmark is hosted as a competition at https://kaggle.com/competitions/wikido24 with public access to dataset and code.