Hasil untuk "q-bio.MN"

David Rein, Betty Li Hou, Asa Cooper Stickland et al.

We present GPQA, a challenging dataset of 448 multiple-choice questions written by domain experts in biology, physics, and chemistry. We ensure that the questions are high-quality and extremely difficult: experts who have or are pursuing PhDs in the corresponding domains reach 65% accuracy (74% when discounting clear mistakes the experts identified in retrospect), while highly skilled non-expert validators only reach 34% accuracy, despite spending on average over 30 minutes with unrestricted access to the web (i.e., the questions are"Google-proof"). The questions are also difficult for state-of-the-art AI systems, with our strongest GPT-4 based baseline achieving 39% accuracy. If we are to use future AI systems to help us answer very hard questions, for example, when developing new scientific knowledge, we need to develop scalable oversight methods that enable humans to supervise their outputs, which may be difficult even if the supervisors are themselves skilled and knowledgeable. The difficulty of GPQA both for skilled non-experts and frontier AI systems should enable realistic scalable oversight experiments, which we hope can help devise ways for human experts to reliably get truthful information from AI systems that surpass human capabilities.

Ilya Kostrikov, Ashvin Nair, S. Levine

Offline reinforcement learning requires reconciling two conflicting aims: learning a policy that improves over the behavior policy that collected the dataset, while at the same time minimizing the deviation from the behavior policy so as to avoid errors due to distributional shift. This trade-off is critical, because most current offline reinforcement learning methods need to query the value of unseen actions during training to improve the policy, and therefore need to either constrain these actions to be in-distribution, or else regularize their values. We propose an offline RL method that never needs to evaluate actions outside of the dataset, but still enables the learned policy to improve substantially over the best behavior in the data through generalization. The main insight in our work is that, instead of evaluating unseen actions from the latest policy, we can approximate the policy improvement step implicitly by treating the state value function as a random variable, with randomness determined by the action (while still integrating over the dynamics to avoid excessive optimism), and then taking a state conditional upper expectile of this random variable to estimate the value of the best actions in that state. This leverages the generalization capacity of the function approximator to estimate the value of the best available action at a given state without ever directly querying a Q-function with this unseen action. Our algorithm alternates between fitting this upper expectile value function and backing it up into a Q-function. Then, we extract the policy via advantage-weighted behavioral cloning. We dub our method implicit Q-learning (IQL). IQL demonstrates the state-of-the-art performance on D4RL, a standard benchmark for offline reinforcement learning. We also demonstrate that IQL achieves strong performance fine-tuning using online interaction after offline initialization.

R. A. Khalek, A. Accardi, J. Adam et al.

This report describes the physics case, the resulting detector requirements, and the evolving detector concepts for the experimental program at the Electron-Ion Collider (EIC). The EIC will be a powerful new high-luminosity facility in the United States with the capability to collide high-energy electron beams with high-energy proton and ion beams, providing access to those regions in the nucleon and nuclei where their structure is dominated by gluons. Moreover, polarized beams in the EIC will give unprecedented access to the spatial and spin structure of the proton, neutron, and light ions. The studies leading to this document were commissioned and organized by the EIC User Group with the objective of advancing the state and detail of the physics program and developing detector concepts that meet the emerging requirements in preparation for the realization of the EIC. The effort aims to provide the basis for further development of concepts for experimental equipment best suited for the science needs, including the importance of two complementary detectors and interaction regions. This report consists of three volumes. Volume I is an executive summary of our findings and developed concepts. In Volume II we describe studies of a wide range of physics measurements and the emerging requirements on detector acceptance and performance. Volume III discusses general-purpose detector concepts and the underlying technologies to meet the physics requirements. These considerations will form the basis for a world-class experimental program that aims to increase our understanding of the fundamental structure of all visible matter

E. Epifanovsky, A. Gilbert, Xintian Feng et al.

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange–correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear–electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an “open teamware” model and an increasingly modular design.

Aviral Kumar, Aurick Zhou, G. Tucker et al.

Effectively leveraging large, previously collected datasets in reinforcement learning (RL) is a key challenge for large-scale real-world applications. Offline RL algorithms promise to learn effective policies from previously-collected, static datasets without further interaction. However, in practice, offline RL presents a major challenge, and standard off-policy RL methods can fail due to overestimation of values induced by the distributional shift between the dataset and the learned policy, especially when training on complex and multi-modal data distributions. In this paper, we propose conservative Q-learning (CQL), which aims to address these limitations by learning a conservative Q-function such that the expected value of a policy under this Q-function lower-bounds its true value. We theoretically show that CQL produces a lower bound on the value of the current policy and that it can be incorporated into a policy learning procedure with theoretical improvement guarantees. In practice, CQL augments the standard Bellman error objective with a simple Q-value regularizer which is straightforward to implement on top of existing deep Q-learning and actor-critic implementations. On both discrete and continuous control domains, we show that CQL substantially outperforms existing offline RL methods, often learning policies that attain 2-5 times higher final return, especially when learning from complex and multi-modal data distributions.

Aviral Kumar, Justin Fu, G. Tucker et al.

Off-policy reinforcement learning aims to leverage experience collected from prior policies for sample-efficient learning. However, in practice, commonly used off-policy approximate dynamic programming methods based on Q-learning and actor-critic methods are highly sensitive to the data distribution, and can make only limited progress without collecting additional on-policy data. As a step towards more robust off-policy algorithms, we study the setting where the off-policy experience is fixed and there is no further interaction with the environment. We identify bootstrapping error as a key source of instability in current methods. Bootstrapping error is due to bootstrapping from actions that lie outside of the training data distribution, and it accumulates via the Bellman backup operator. We theoretically analyze bootstrapping error, and demonstrate how carefully constraining action selection in the backup can mitigate it. Based on our analysis, we propose a practical algorithm, bootstrapping error accumulation reduction (BEAR). We demonstrate that BEAR is able to learn robustly from different off-policy distributions, including random and suboptimal demonstrations, on a range of continuous control tasks.

B. Abbott, R. Abbott, T. Abbott et al.

On 2017 August 17 a binary neutron star coalescence candidate (later designated GW170817) with merger time 12:41:04 UTC was observed through gravitational waves by the Advanced LIGO and Advanced Virgo detectors. The Fermi Gamma-ray Burst Monitor independently detected a gamma-ray burst (GRB 170817A) with a time delay of ∼ 1.7 s with respect to the merger time. From the gravitational-wave signal, the source was initially localized to a sky region of 31 deg2 at a luminosity distance of 40 − 8 + 8 Mpc and with component masses consistent with neutron stars. The component masses were later measured to be in the range 0.86 to 2.26 M ⊙ . An extensive observing campaign was launched across the electromagnetic spectrum leading to the discovery of a bright optical transient (SSS17a, now with the IAU identification of AT 2017gfo) in NGC 4993 (at ∼ 40 Mpc ) less than 11 hours after the merger by the One-Meter, Two Hemisphere (1M2H) team using the 1 m Swope Telescope. The optical transient was independently detected by multiple teams within an hour. Subsequent observations targeted the object and its environment. Early ultraviolet observations revealed a blue transient that faded within 48 hours. Optical and infrared observations showed a redward evolution over ∼10 days. Following early non-detections, X-ray and radio emission were discovered at the transient’s position ∼ 9 and ∼ 16 days, respectively, after the merger. Both the X-ray and radio emission likely arise from a physical process that is distinct from the one that generates the UV/optical/near-infrared emission. No ultra-high-energy gamma-rays and no neutrino candidates consistent with the source were found in follow-up searches. These observations support the hypothesis that GW170817 was produced by the merger of two neutron stars in NGC 4993 followed by a short gamma-ray burst (GRB 170817A) and a kilonova/macronova powered by the radioactive decay of r-process nuclei synthesized in the ejecta.

Qiang Zhang, Yixuan Zheng, D. Tong et al.

Significance The high frequency of haze pollution in China has attracted broad attention and triggered, in 2013, the promulgation of the toughest-ever clean air policy in the country. In this study, we quantified the air quality and health benefits from specific clean air actions by combining a chemical transport model with a detailed emission inventory. As tremendous efforts and resources are needed for mitigating emissions from various sources, evaluation of the effectiveness of these measures can provide crucial information for developing air quality policies in China as well as in other developing and highly polluting countries. Based on measure-specific analysis, our results bear out several important implications for designing future clean air policies. From 2013 to 2017, with the implementation of the toughest-ever clean air policy in China, significant declines in fine particle (PM2.5) concentrations occurred nationwide. Here we estimate the drivers of the improved PM2.5 air quality and the associated health benefits in China from 2013 to 2017 based on a measure-specific integrated evaluation approach, which combines a bottom-up emission inventory, a chemical transport model, and epidemiological exposure-response functions. The estimated national population–weighted annual mean PM2.5 concentrations decreased from 61.8 (95%CI: 53.3–70.0) to 42.0 µg/m3 (95% CI: 35.7–48.6) in 5 y, with dominant contributions from anthropogenic emission abatements. Although interannual meteorological variations could significantly alter PM2.5 concentrations, the corresponding effects on the 5-y trends were relatively small. The measure-by-measure evaluation indicated that strengthening industrial emission standards (power plants and emission-intensive industrial sectors), upgrades on industrial boilers, phasing out outdated industrial capacities, and promoting clean fuels in the residential sector were major effective measures in reducing PM2.5 pollution and health burdens. These measures were estimated to contribute to 6.6- (95% CI: 5.9–7.1), 4.4- (95% CI: 3.8–4.9), 2.8- (95% CI: 2.5–3.0), and 2.2- (95% CI: 2.0–2.5) µg/m3 declines in the national PM2.5 concentration in 2017, respectively, and further reduced PM2.5-attributable excess deaths by 0.37 million (95% CI: 0.35–0.39), or 92% of the total avoided deaths. Our study confirms the effectiveness of China’s recent clean air actions, and the measure-by-measure evaluation provides insights into future clean air policy making in China and in other developing and polluting countries.

Todd Hester, Matej Vecerík, O. Pietquin et al.

Deep reinforcement learning (RL) has achieved several high profile successes in difficult decision-making problems. However, these algorithms typically require a huge amount of data before they reach reasonable performance. In fact, their performance during learning can be extremely poor. This may be acceptable for a simulator, but it severely limits the applicability of deep RL to many real-world tasks, where the agent must learn in the real environment. In this paper we study a setting where the agent may access data from previous control of the system. We present an algorithm, Deep Q-learning from Demonstrations (DQfD), that leverages small sets of demonstration data to massively accelerate the learning process even from relatively small amounts of demonstration data and is able to automatically assess the necessary ratio of demonstration data while learning thanks to a prioritized replay mechanism. DQfD works by combining temporal difference updates with supervised classification of the demonstrator’s actions. We show that DQfD has better initial performance than Prioritized Dueling Double Deep Q-Networks (PDD DQN) as it starts with better scores on the first million steps on 41 of 42 games and on average it takes PDD DQN 83 million steps to catch up to DQfD’s performance. DQfD learns to out-perform the best demonstration given in 14 of 42 games. In addition, DQfD leverages human demonstrations to achieve state-of-the-art results for 11 games. Finally, we show that DQfD performs better than three related algorithms for incorporating demonstration data into DQN.

Wei Shen, Shuai Le, Yan Li et al.

FASTA and FASTQ are basic and ubiquitous formats for storing nucleotide and protein sequences. Common manipulations of FASTA/Q file include converting, searching, filtering, deduplication, splitting, shuffling, and sampling. Existing tools only implement some of these manipulations, and not particularly efficiently, and some are only available for certain operating systems. Furthermore, the complicated installation process of required packages and running environments can render these programs less user friendly. This paper describes a cross-platform ultrafast comprehensive toolkit for FASTA/Q processing. SeqKit provides executable binary files for all major operating systems, including Windows, Linux, and Mac OSX, and can be directly used without any dependencies or pre-configurations. SeqKit demonstrates competitive performance in execution time and memory usage compared to similar tools. The efficiency and usability of SeqKit enable researchers to rapidly accomplish common FASTA/Q file manipulations. SeqKit is open source and available on Github at https://github.com/shenwei356/seqkit.

Chi Jin, Zeyuan Allen-Zhu, Sébastien Bubeck et al.

Model-free reinforcement learning (RL) algorithms, such as Q-learning, directly parameterize and update value functions or policies without explicitly modeling the environment. They are typically simpler, more flexible to use, and thus more prevalent in modern deep RL than model-based approaches. However, empirical work has suggested that model-free algorithms may require more samples to learn [Deisenroth and Rasmussen 2011, Schulman et al. 2015]. The theoretical question of "whether model-free algorithms can be made sample efficient" is one of the most fundamental questions in RL, and remains unsolved even in the basic scenario with finitely many states and actions. We prove that, in an episodic MDP setting, Q-learning with UCB exploration achieves regret $\tilde{O}(\sqrt{H^3 SAT})$, where $S$ and $A$ are the numbers of states and actions, $H$ is the number of steps per episode, and $T$ is the total number of steps. This sample efficiency matches the optimal regret that can be achieved by any model-based approach, up to a single $\sqrt{H}$ factor. To the best of our knowledge, this is the first analysis in the model-free setting that establishes $\sqrt{T}$ regret without requiring access to a "simulator."

T. Mahmood, Kifayat Ullah, Q. Khan et al.

Zhuoran Yang, Yuchen Xie, Zhaoran Wang

Despite the great empirical success of deep reinforcement learning, its theoretical foundation is less well understood. In this work, we make the first attempt to theoretically understand the deep Q-network (DQN) algorithm (Mnih et al., 2015) from both algorithmic and statistical perspectives. In specific, we focus on a slight simplification of DQN that fully captures its key features. Under mild assumptions, we establish the algorithmic and statistical rates of convergence for the action-value functions of the iterative policy sequence obtained by DQN. In particular, the statistical error characterizes the bias and variance that arise from approximating the action-value function using deep neural network, while the algorithmic error converges to zero at a geometric rate. As a byproduct, our analysis provides justifications for the techniques of experience replay and target network, which are crucial to the empirical success of DQN. Furthermore, as a simple extension of DQN, we propose the Minimax-DQN algorithm for zero-sum Markov game with two players. Borrowing the analysis of DQN, we also quantify the difference between the policies obtained by Minimax-DQN and the Nash equilibrium of the Markov game in terms of both the algorithmic and statistical rates of convergence.

Sheng Shen, Zhen Dong, Jiayu Ye et al.

Transformer based architectures have become de-facto models used for a range of Natural Language Processing tasks. In particular, the BERT based models achieved significant accuracy gain for GLUE tasks, CoNLL-03 and SQuAD. However, BERT based models have a prohibitive memory footprint and latency. As a result, deploying BERT based models in resource constrained environments has become a challenging task. In this work, we perform an extensive analysis of fine-tuned BERT models using second order Hessian information, and we use our results to propose a novel method for quantizing BERT models to ultra low precision. In particular, we propose a new group-wise quantization scheme, and we use Hessian-based mix-precision method to compress the model further. We extensively test our proposed method on BERT downstream tasks of SST-2, MNLI, CoNLL-03, and SQuAD. We can achieve comparable performance to baseline with at most 2.3% performance degradation, even with ultra-low precision quantization down to 2 bits, corresponding up to 13× compression of the model parameters, and up to 4× compression of the embedding table as well as activations. Among all tasks, we observed the highest performance loss for BERT fine-tuned on SQuAD. By probing into the Hessian based analysis as well as visualization, we show that this is related to the fact that current training/fine-tuning strategy of BERT does not converge for SQuAD.

Jianhao Wang, Zhizhou Ren, Terry Liu et al.

We explore value-based multi-agent reinforcement learning (MARL) in the popular paradigm of centralized training with decentralized execution (CTDE). CTDE has an important concept, Individual-Global-Max (IGM) principle, which requires the consistency between joint and local action selections to support efficient local decision-making. However, in order to achieve scalability, existing MARL methods either limit representation expressiveness of their value function classes or relax the IGM consistency, which may suffer from instability risk or lead to poor performance. This paper presents a novel MARL approach, called duPLEX dueling multi-agent Q-learning (QPLEX), which takes a duplex dueling network architecture to factorize the joint value function. This duplex dueling structure encodes the IGM principle into the neural network architecture and thus enables efficient value function learning. Theoretical analysis shows that QPLEX achieves a complete IGM function class. Empirical experiments on StarCraft II micromanagement tasks demonstrate that QPLEX significantly outperforms state-of-the-art baselines in both online and offline data collection settings, and also reveal that QPLEX achieves high sample efficiency and can benefit from offline datasets without additional online exploration.

Haoning Wu, Zicheng Zhang, Weixia Zhang et al.

The explosion of visual content available online underscores the requirement for an accurate machine assessor to robustly evaluate scores across diverse types of visual contents. While recent studies have demonstrated the exceptional potentials of large multi-modality models (LMMs) on a wide range of related fields, in this work, we explore how to teach them for visual rating aligned with human opinions. Observing that human raters only learn and judge discrete text-defined levels in subjective studies, we propose to emulate this subjective process and teach LMMs with text-defined rating levels instead of scores. The proposed Q-Align achieves state-of-the-art performance on image quality assessment (IQA), image aesthetic assessment (IAA), as well as video quality assessment (VQA) tasks under the original LMM structure. With the syllabus, we further unify the three tasks into one model, termed the OneAlign. In our experiments, we demonstrate the advantage of the discrete-level-based syllabus over direct-score-based variants for LMMs. Our code and the pre-trained weights are released at https://github.com/Q-Future/Q-Align.

Rafael Rafailov, Joey Hejna, Ryan Park et al.

Reinforcement Learning From Human Feedback (RLHF) has been critical to the success of the latest generation of generative AI models. In response to the complex nature of the classical RLHF pipeline, direct alignment algorithms such as Direct Preference Optimization (DPO) have emerged as an alternative approach. Although DPO solves the same objective as the standard RLHF setup, there is a mismatch between the two approaches. Standard RLHF deploys reinforcement learning in a specific token-level MDP, while DPO is derived as a bandit problem in which the whole response of the model is treated as a single arm. In this work we rectify this difference. We theoretically show that we can derive DPO in the token-level MDP as a general inverse Q-learning algorithm, which satisfies the Bellman equation. Using our theoretical results, we provide three concrete empirical insights. First, we show that because of its token level interpretation, DPO is able to perform some type of credit assignment. Next, we prove that under the token level formulation, classical search-based algorithms, such as MCTS, which have recently been applied to the language generation space, are equivalent to likelihood-based search on a DPO policy. Empirically we show that a simple beam search yields meaningful improvement over the base DPO policy. Finally, we show how the choice of reference policy causes implicit rewards to decline during training. We conclude by discussing applications of our work, including information elicitation in multi-turn dialogue, reasoning, agentic applications and end-to-end training of multi-model systems.

Xiuyu Li, Long Lian, Yijia Liu et al.

Diffusion models have achieved great success in image synthesis through iterative noise estimation using deep neural networks. However, the slow inference, high memory consumption, and computation intensity of the noise estimation model hinder the efficient adoption of diffusion models. Although post-training quantization (PTQ) is considered a go-to compression method for other tasks, it does not work out-of-the-box on diffusion models. We propose a novel PTQ method specifically tailored towards the unique multi-timestep pipeline and model architecture of the diffusion models, which compresses the noise estimation network to accelerate the generation process. We identify the key difficulty of diffusion model quantization as the changing output distributions of noise estimation networks over multiple time steps and the bimodal activation distribution of the shortcut layers within the noise estimation network. We tackle these challenges with timestep-aware calibration and split shortcut quantization in this work. Experimental results show that our proposed method is able to quantize full-precision unconditional diffusion models into 4-bit while maintaining comparable performance (small FID change of at most 2.34 compared to >100 for traditional PTQ) in a training-free manner. Our approach can also be applied to text-guided image generation, where we can run stable diffusion in 4-bit weights with high generation quality for the first time.

Philippe Hansen-Estruch, Ilya Kostrikov, Michael Janner et al.

Effective offline RL methods require properly handling out-of-distribution actions. Implicit Q-learning (IQL) addresses this by training a Q-function using only dataset actions through a modified Bellman backup. However, it is unclear which policy actually attains the values represented by this implicitly trained Q-function. In this paper, we reinterpret IQL as an actor-critic method by generalizing the critic objective and connecting it to a behavior-regularized implicit actor. This generalization shows how the induced actor balances reward maximization and divergence from the behavior policy, with the specific loss choice determining the nature of this tradeoff. Notably, this actor can exhibit complex and multimodal characteristics, suggesting issues with the conditional Gaussian actor fit with advantage weighted regression (AWR) used in prior methods. Instead, we propose using samples from a diffusion parameterized behavior policy and weights computed from the critic to then importance sampled our intended policy. We introduce Implicit Diffusion Q-learning (IDQL), combining our general IQL critic with the policy extraction method. IDQL maintains the ease of implementation of IQL while outperforming prior offline RL methods and demonstrating robustness to hyperparameters. Code is available at https://github.com/philippe-eecs/IDQL.

Haoning Wu, Zicheng Zhang, Erli Zhang et al.

The rapid evolution of Multi-modality Large Language Models (MLLMs) has catalyzed a shift in computer vision from specialized models to general-purpose foundation models. Nevertheless, there is still an inadequacy in assessing the abilities of MLLMs on low-level visual perception and understanding. To address this gap, we present Q-Bench, a holistic benchmark crafted to systematically evaluate potential abilities of MLLMs on three realms: low-level visual perception, low-level visual description, and overall visual quality assessment. a) To evaluate the low-level perception ability, we construct the LLVisionQA dataset, consisting of 2,990 diverse-sourced images, each equipped with a human-asked question focusing on its low-level attributes. We then measure the correctness of MLLMs on answering these questions. b) To examine the description ability of MLLMs on low-level information, we propose the LLDescribe dataset consisting of long expert-labelled golden low-level text descriptions on 499 images, and a GPT-involved comparison pipeline between outputs of MLLMs and the golden descriptions. c) Besides these two tasks, we further measure their visual quality assessment ability to align with human opinion scores. Specifically, we design a softmax-based strategy that enables MLLMs to predict quantifiable quality scores, and evaluate them on various existing image quality assessment (IQA) datasets. Our evaluation across the three abilities confirms that MLLMs possess preliminary low-level visual skills. However, these skills are still unstable and relatively imprecise, indicating the need for specific enhancements on MLLMs towards these abilities. We hope that our benchmark can encourage the research community to delve deeper to discover and enhance these untapped potentials of MLLMs. Project Page: https://q-future.github.io/Q-Bench.